tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_81/freeze.log

2199 lines
217 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_81.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 81 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1950
main_MD> Size of nv and nvoiz: 81 8100
main_MD> Size of nv and nvoiz: 81 8100
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 81
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 1.4092761011233017E-002 1.7347248475508713E-003 6.6793221974372749E-002 initial drift of cluster / NP1 for coalescence
init> 0.27365998634641214 0.31002018746151278 0.31220023644856182 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8351994154141771E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42266 1.77876 -12.12724
force_rgl> df(natom) 0.45175 -1.65088 -0.40801
preparo> THERMALIZATION PROCESS AT 1272.8990331907296
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -174.94180311578958 16.663340782813023 -191.60514389860259 7.2004329441739841E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 39
FREEZING PROCESS: loop number 1 T-loop= 1251.0000000000000
main_MD> interactions number 1 at Temperature= 1251.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78110 -0.10388 3.02082
force_rgl> df(natom) 2.93885 -2.34218 -2.17844
5.0000 -189.34864 -175.74004 13.60860 3.44402 -174.47538 1332.31974
10.0000 -189.18982 -174.60903 14.58079 3.42230 -174.88189 1342.58154
15.0000 -192.13116 -176.91076 15.22040 3.40835 -175.14305 1335.22074
20.0000 -190.87677 -178.31853 12.55825 3.26627 -177.80296 1246.77626
25.0000 -189.04549 -174.40237 14.64312 3.28464 -177.45914 1215.51056
30.0000 -186.59870 -172.91423 13.68447 3.48037 -173.79477 1348.19636
35.0000 -189.66129 -178.23913 11.42216 3.39406 -175.41059 1285.52259
40.0000 -190.89363 -176.99674 13.89689 3.31311 -176.92605 1255.06715
45.0000 -192.17711 -176.95441 15.22271 3.25032 -178.10147 1249.20270
50.0000 -188.30876 -174.10580 14.20296 3.38684 -175.54585 1341.15649
55.0000 -191.66173 -175.57047 16.09126 3.31154 -176.95555 1275.97130
60.0000 -188.69160 -175.70221 12.98940 3.40511 -175.20386 1336.72032
65.0000 -190.02039 -176.43404 13.58635 3.30094 -177.15390 1244.90752
70.0000 -191.85762 -178.50437 13.35325 3.26979 -177.73710 1252.69270
75.0000 -188.99278 -173.99313 14.99965 3.30245 -177.12569 1287.23047
80.0000 -191.02399 -177.73141 13.29258 3.42259 -174.87652 1309.98629
85.0000 -190.77425 -178.84445 11.92980 3.28882 -177.38078 1235.48547
90.0000 -189.70378 -176.57278 13.13100 3.31424 -176.90488 1280.20448
95.0000 -192.25510 -178.96267 13.29243 3.28327 -177.48468 1244.49774
100.0000 -192.91678 -179.14949 13.76730 3.20157 -179.01416 1206.97987
105.0000 -191.94352 -177.44204 14.50147 3.23753 -178.34101 1236.79558
110.0000 -191.59858 -177.20825 14.39032 3.25000 -178.10748 1263.30902
115.0000 -191.96419 -179.96624 11.99795 3.15804 -179.82908 1179.43920
120.0000 -189.55537 -178.39455 11.16082 3.16425 -179.71277 1163.03461
125.0000 -189.37430 -177.60902 11.76528 3.23287 -178.42824 1213.81871
130.0000 -190.70286 -177.79506 12.90780 3.32206 -176.75854 1289.37529
135.0000 -192.31943 -178.09491 14.22451 3.30924 -176.99850 1251.92517
140.0000 -189.35873 -175.19376 14.16497 3.33491 -176.51798 1283.96026
145.0000 -190.27856 -177.51215 12.76640 3.28742 -177.40703 1245.52503
150.0000 -190.94053 -177.27279 13.66774 3.26835 -177.76403 1229.81548
155.0000 -191.57008 -181.41453 10.15554 3.19693 -179.10108 1217.80859
160.0000 -192.09620 -179.89412 12.20208 3.08234 -181.24627 1119.93548
165.0000 -192.20432 -180.04978 12.15454 3.18325 -179.35713 1156.20702
170.0000 -190.77573 -177.24298 13.53275 3.23645 -178.36129 1225.89281
175.0000 -187.51564 -174.94055 12.57509 3.42190 -174.88948 1285.99581
180.0000 -189.78841 -177.28289 12.50552 3.30194 -177.13520 1223.92927
185.0000 -190.50556 -177.49340 13.01216 3.30261 -177.12265 1290.75625
190.0000 -189.37403 -176.05179 13.32223 3.31011 -176.98232 1264.51980
195.0000 -190.01591 -176.02894 13.98698 3.32526 -176.69853 1258.41745
200.0000 -190.50694 -175.26797 15.23897 3.41279 -175.05991 1327.80591
205.0000 -190.14253 -176.16477 13.97776 3.41155 -175.08313 1343.99062
210.0000 -189.43520 -176.30054 13.13466 3.27468 -177.64550 1255.43542
215.0000 -191.54053 -178.79874 12.74179 3.36638 -175.92882 1280.77384
220.0000 -189.14294 -177.61362 11.52932 3.27281 -177.68056 1251.16323
225.0000 -190.65911 -176.94627 13.71283 3.21761 -178.71396 1241.32553
230.0000 -191.35705 -177.09929 14.25776 3.27174 -177.70052 1245.41678
235.0000 -191.90275 -180.22992 11.67283 3.25513 -178.01148 1242.02601
240.0000 -191.77286 -180.15734 11.61552 3.17379 -179.53428 1163.36152
245.0000 -190.96846 -178.01806 12.95040 3.24437 -178.21297 1241.18462
250.0000 -192.59702 -180.61136 11.98567 3.17678 -179.47820 1160.00512
FREEZING PROCESS: loop number 2 T-loop= 1226.0000000000000
main_MD> interactions number 2 at Temperature= 1226.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.62030 2.05984 -0.35504
force_rgl> df(natom) 3.29319 -1.11208 -0.22514
255.0000 -193.14823 -182.26424 10.88398 3.08301 -181.23370 1099.08323
260.0000 -193.08031 -181.47216 11.60816 3.04659 -181.91548 1109.01305
265.0000 -192.69083 -182.49606 10.19477 3.04880 -181.87410 1112.44336
270.0000 -194.39431 -181.30327 13.09104 3.10443 -180.83277 1123.08044
275.0000 -190.80158 -178.85513 11.94645 3.18635 -179.29910 1197.24872
280.0000 -191.46592 -180.41683 11.04909 3.18352 -179.35212 1178.19723
285.0000 -193.61004 -181.16656 12.44348 3.10094 -180.89812 1111.03013
290.0000 -192.53091 -181.52533 11.00559 3.03997 -182.03946 1105.43715
295.0000 -192.68428 -181.74312 10.94116 3.03166 -182.19510 1088.41926
300.0000 -190.89300 -179.09569 11.79732 3.12000 -180.54131 1107.14818
305.0000 -192.35810 -180.63756 11.72053 3.11749 -180.58822 1118.60017
310.0000 -190.45952 -178.23807 12.22144 3.24172 -178.26263 1219.27847
315.0000 -190.11467 -178.62116 11.49351 3.29807 -177.20763 1275.88591
320.0000 -192.51288 -180.06677 12.44611 3.09127 -181.07918 1076.73279
325.0000 -187.79594 -175.35173 12.44421 3.30130 -177.14719 1256.20700
330.0000 -190.05820 -177.68545 12.37275 3.31899 -176.81609 1278.43988
335.0000 -192.27422 -180.04766 12.22656 3.19395 -179.15687 1178.33058
340.0000 -190.73273 -177.44238 13.29035 3.24527 -178.19612 1203.93080
345.0000 -189.93573 -176.96911 12.96663 3.28192 -177.51004 1272.76421
350.0000 -190.93579 -178.82758 12.10820 3.34870 -176.25975 1285.05055
355.0000 -186.93776 -174.93115 12.00662 3.32938 -176.62150 1257.65616
360.0000 -192.17303 -179.01978 13.15325 3.35432 -176.15465 1280.66773
365.0000 -188.80774 -178.09436 10.71338 3.21910 -178.68603 1205.58657
370.0000 -191.23618 -177.76558 13.47060 3.21810 -178.70472 1231.21772
375.0000 -189.32958 -177.84906 11.48052 3.24097 -178.27658 1205.21011
380.0000 -189.94537 -178.48190 11.46347 3.28648 -177.42461 1238.04793
385.0000 -190.46444 -178.95352 11.51093 3.20159 -179.01388 1178.58090
390.0000 -189.34121 -177.04730 12.29391 3.28596 -177.43439 1256.31959
395.0000 -188.78988 -177.35321 11.43667 3.31401 -176.90921 1269.83210
400.0000 -191.71205 -179.47393 12.23812 3.26003 -177.91972 1228.96177
405.0000 -192.33950 -180.33809 12.00140 3.07963 -181.29697 1111.83122
410.0000 -193.04046 -180.00627 13.03419 3.15292 -179.92495 1155.49348
415.0000 -191.42998 -177.72469 13.70529 3.29369 -177.28973 1307.29179
420.0000 -189.92921 -177.98364 11.94557 3.26253 -177.87301 1214.56144
425.0000 -191.16327 -178.20982 12.95345 3.35475 -176.14655 1273.23652
430.0000 -193.48591 -179.36187 14.12404 3.23973 -178.29986 1208.31222
435.0000 -190.61821 -177.49682 13.12139 3.23252 -178.43474 1220.98438
440.0000 -192.81614 -178.67330 14.14284 3.28511 -177.45027 1228.81897
445.0000 -191.12685 -175.75038 15.37647 3.29096 -177.34069 1219.65624
450.0000 -192.98201 -181.09453 11.88748 3.22559 -178.56453 1227.92233
455.0000 -192.29914 -180.89721 11.40193 3.14866 -180.00476 1169.02071
460.0000 -192.08267 -179.75147 12.33119 3.10605 -180.80235 1128.63756
465.0000 -191.10871 -178.23281 12.87590 3.24118 -178.27263 1186.29564
470.0000 -190.01816 -176.99213 13.02602 3.27504 -177.63874 1198.62485
475.0000 -190.49490 -177.16898 13.32591 3.25576 -177.99966 1198.24068
480.0000 -192.56021 -178.42781 14.13240 3.31987 -176.79951 1248.00001
485.0000 -189.66109 -176.35497 13.30612 3.27696 -177.60285 1243.26603
490.0000 -190.07904 -177.30568 12.77335 3.28033 -177.53979 1239.97967
495.0000 -190.06865 -178.53167 11.53699 3.26458 -177.83463 1218.54950
500.0000 -192.52214 -179.56977 12.95237 3.31312 -176.92581 1269.42901
FREEZING PROCESS: loop number 3 T-loop= 1201.0000000000000
main_MD> interactions number 3 at Temperature= 1201.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73348 0.75247 0.09349
force_rgl> df(natom) -4.38792 -0.90873 -3.70294
505.0000 -191.62761 -179.82680 11.80081 3.19025 -179.22602 1193.61437
510.0000 -189.29890 -176.25071 13.04819 3.21851 -178.69714 1186.78886
515.0000 -190.10229 -177.98032 12.12197 3.28397 -177.47165 1227.52963
520.0000 -192.25112 -179.40363 12.84749 3.28789 -177.39813 1253.45263
525.0000 -191.77191 -181.67567 10.09625 3.09126 -181.07929 1140.48923
530.0000 -191.52347 -177.40173 14.12173 3.17656 -179.48244 1175.28186
535.0000 -188.39027 -175.71627 12.67399 3.28923 -177.37315 1273.85288
540.0000 -190.36450 -177.70580 12.65870 3.31436 -176.90263 1233.25735
545.0000 -191.73492 -178.93127 12.80365 3.23687 -178.35343 1198.77114
550.0000 -192.87489 -180.69949 12.17540 3.13689 -180.22504 1134.47353
555.0000 -192.65728 -181.16685 11.49042 3.09870 -180.93991 1109.71526
560.0000 -194.82339 -182.72661 12.09678 3.08574 -181.18263 1111.57665
565.0000 -191.21384 -178.07879 13.13505 3.15963 -179.79936 1177.83214
570.0000 -192.54712 -178.71280 13.83432 3.25340 -178.04392 1212.73892
575.0000 -191.09452 -177.16163 13.93289 3.24452 -178.21022 1196.23036
580.0000 -188.36633 -174.49173 13.87460 3.31411 -176.90741 1266.56406
585.0000 -191.31230 -177.89935 13.41295 3.34299 -176.36676 1259.66118
590.0000 -191.78964 -179.70704 12.08261 3.25829 -177.95244 1217.70269
595.0000 -188.26470 -175.42711 12.83759 3.31237 -176.93992 1233.92308
600.0000 -189.50582 -174.78425 14.72157 3.41068 -175.09956 1325.13234
605.0000 -190.00862 -176.51371 13.49491 3.42171 -174.89293 1289.13378
610.0000 -190.92196 -178.20594 12.71601 3.21120 -178.83384 1204.70170
615.0000 -190.51250 -176.11109 14.40141 3.36644 -175.92776 1280.72945
620.0000 -189.62518 -177.04956 12.57562 3.28959 -177.36634 1237.52672
625.0000 -191.34002 -179.35170 11.98832 3.30721 -177.03659 1246.92801
630.0000 -190.55341 -178.61521 11.93820 3.22483 -178.57869 1222.70699
635.0000 -190.89118 -180.06084 10.83034 3.18777 -179.27260 1203.70834
640.0000 -191.15133 -178.55555 12.59578 3.13754 -180.21287 1128.00388
645.0000 -189.74319 -175.91493 13.82826 3.31436 -176.90260 1274.26672
650.0000 -190.86555 -176.57770 14.28785 3.34261 -176.37373 1249.56864
655.0000 -192.41813 -180.49883 11.91931 3.24441 -178.21214 1193.46524
660.0000 -192.79081 -180.95978 11.83104 3.14439 -180.08457 1187.66665
665.0000 -193.67039 -181.72872 11.94167 3.00552 -182.68438 1071.47219
670.0000 -194.37658 -181.05787 13.31871 3.07641 -181.35726 1129.91923
675.0000 -189.55805 -175.92423 13.63383 3.22888 -178.50291 1211.59372
680.0000 -186.95239 -171.74394 15.20845 3.53522 -172.76797 1410.44318
685.0000 -190.89571 -179.43267 11.46304 3.40362 -175.23165 1301.80096
690.0000 -191.04794 -178.38245 12.66549 3.22540 -178.56814 1217.84859
695.0000 -192.74777 -182.00070 10.74706 3.19422 -179.15184 1183.80087
700.0000 -192.12417 -180.94869 11.17549 3.04234 -181.99509 1102.13230
705.0000 -192.44656 -179.88854 12.55803 3.12875 -180.37741 1143.38978
710.0000 -192.07623 -181.93009 10.14613 3.03463 -182.13950 1106.58530
715.0000 -191.64473 -180.20808 11.43664 3.09220 -181.06176 1126.31542
720.0000 -190.28711 -179.23600 11.05111 3.23598 -178.37008 1188.07538
725.0000 -193.12391 -179.09624 14.02767 3.23628 -178.36435 1222.98589
730.0000 -192.51901 -180.55536 11.96365 3.17949 -179.42755 1159.16544
735.0000 -192.89239 -181.55870 11.33368 3.13549 -180.25124 1142.12402
740.0000 -192.05316 -180.87687 11.17628 3.08426 -181.21030 1106.32633
745.0000 -190.55739 -178.26720 12.29019 3.17796 -179.45620 1197.07010
750.0000 -190.04299 -173.78487 16.25811 3.36826 -175.89354 1337.59942
FREEZING PROCESS: loop number 4 T-loop= 1176.0000000000000
main_MD> interactions number 4 at Temperature= 1176.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69063 -4.94691 -7.28232
force_rgl> df(natom) -1.11929 0.48663 2.67699
755.0000 -191.07801 -176.29237 14.78563 3.30917 -176.99981 1266.88017
760.0000 -191.26786 -177.12360 14.14426 3.32451 -176.71274 1284.73985
765.0000 -189.36064 -177.01905 12.34159 3.30431 -177.09077 1249.61727
770.0000 -189.70085 -177.75764 11.94321 3.34278 -176.37069 1283.16764
775.0000 -189.29627 -176.77389 12.52237 3.22949 -178.49158 1224.86506
780.0000 -190.01505 -176.27159 13.74345 3.35045 -176.22706 1296.48792
785.0000 -191.45991 -178.10533 13.35458 3.32763 -176.65421 1227.21547
790.0000 -189.48149 -177.92325 11.55824 3.22459 -178.58330 1194.79513
795.0000 -192.08338 -179.36644 12.71694 3.26915 -177.74907 1238.05114
800.0000 -191.87974 -178.39754 13.48220 3.21459 -178.77053 1199.79380
805.0000 -192.32718 -181.32238 11.00479 3.10938 -180.74012 1139.62182
810.0000 -193.14466 -182.90727 10.23740 3.05804 -181.70127 1070.92634
815.0000 -192.01780 -178.69904 13.31876 3.07426 -181.39755 1105.19391
820.0000 -191.09851 -179.74646 11.35205 3.21441 -178.77373 1183.84867
825.0000 -192.70969 -179.75583 12.95385 3.21528 -178.75756 1183.12116
830.0000 -189.72706 -177.49345 12.23362 3.24687 -178.16618 1240.30022
835.0000 -189.88278 -175.31001 14.57277 3.29955 -177.18002 1241.07453
840.0000 -190.72380 -178.93509 11.78871 3.26531 -177.82098 1238.43972
845.0000 -193.51869 -181.14178 12.37690 3.18205 -179.37957 1188.18234
850.0000 -191.34614 -178.71032 12.63582 3.21074 -178.84251 1193.52756
855.0000 -190.36334 -178.75893 11.60441 3.18457 -179.33239 1166.00329
860.0000 -194.15857 -181.23429 12.92429 3.15533 -179.87981 1162.97253
865.0000 -194.73575 -184.68370 10.05205 2.93959 -183.91859 1049.89958
870.0000 -191.06891 -180.39461 10.67431 3.02618 -182.29759 1074.10116
875.0000 -192.85345 -181.76429 11.08916 3.12767 -180.39768 1149.16419
880.0000 -193.22861 -181.79817 11.43043 3.07077 -181.46292 1112.99819
885.0000 -192.36583 -181.24013 11.12570 3.09558 -180.99839 1120.52466
890.0000 -192.03536 -179.40829 12.62707 3.13326 -180.29297 1188.61116
895.0000 -192.81001 -180.50063 12.30937 3.16903 -179.62335 1181.97380
900.0000 -190.23299 -176.88885 13.34414 3.21332 -178.79423 1212.32713
905.0000 -193.08056 -180.99537 12.08519 3.21167 -178.82517 1179.05885
910.0000 -191.65471 -181.50598 10.14872 3.08804 -181.13949 1113.83753
915.0000 -191.90907 -180.26948 11.63959 3.14949 -179.98910 1143.59881
920.0000 -190.74340 -178.34896 12.39443 3.14859 -180.00600 1161.92774
925.0000 -195.08188 -182.70657 12.37531 3.08494 -181.19764 1126.36261
930.0000 -195.68293 -183.86914 11.81379 2.99971 -182.79319 1079.99552
935.0000 -194.87470 -183.93736 10.93734 2.95560 -183.61888 1029.10272
940.0000 -192.42515 -180.54574 11.87942 3.07584 -181.36797 1087.41453
945.0000 -191.05335 -177.93495 13.11841 3.22405 -178.59344 1238.28148
950.0000 -191.84216 -177.37542 14.46673 3.26009 -177.91869 1225.28215
955.0000 -190.30805 -180.72809 9.57997 3.19137 -179.20518 1183.13061
960.0000 -192.76313 -180.01325 12.74989 3.16656 -179.66962 1153.31398
965.0000 -192.88381 -181.35274 11.53107 3.09767 -180.95933 1126.17867
970.0000 -192.92974 -180.46802 12.46172 3.15249 -179.93300 1150.29655
975.0000 -193.68572 -182.17088 11.51484 3.06056 -181.65400 1085.38994
980.0000 -191.74216 -182.68019 9.06197 3.00898 -182.61966 1052.55083
985.0000 -194.04960 -181.68013 12.36947 2.98359 -183.09491 1053.69670
990.0000 -190.79836 -180.52704 10.27132 3.04851 -181.87967 1109.96771
995.0000 -192.58573 -178.18959 14.39614 3.15561 -179.87463 1196.12264
1000.0000 -194.24311 -181.99739 12.24572 3.14984 -179.98255 1145.60068
FREEZING PROCESS: loop number 5 T-loop= 1151.0000000000000
main_MD> interactions number 5 at Temperature= 1151.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06463 -1.42119 0.52044
force_rgl> df(natom) 1.22189 -0.94226 0.62068
1005.0000 -193.73928 -182.55684 11.18243 2.99095 -182.95724 1072.42384
1010.0000 -192.88858 -180.39577 12.49281 3.05341 -181.78780 1085.89605
1015.0000 -192.13193 -179.36941 12.76252 3.14505 -180.07225 1165.12181
1020.0000 -191.19588 -177.18046 14.01542 3.25399 -178.03286 1238.92978
1025.0000 -191.06497 -175.76942 15.29555 3.34054 -176.41263 1270.74485
1030.0000 -190.17647 -176.95891 13.21756 3.31551 -176.88117 1287.74744
1035.0000 -191.39228 -179.34215 12.05012 3.26564 -177.81483 1264.14977
1040.0000 -192.20416 -180.93879 11.26537 3.21048 -178.84740 1207.10520
1045.0000 -191.76974 -179.26403 12.50571 3.13520 -180.25668 1136.10317
1050.0000 -192.23043 -181.38331 10.84712 3.11278 -180.67636 1139.78859
1055.0000 -193.69733 -181.78602 11.91131 3.06102 -181.64547 1060.99663
1060.0000 -191.34218 -179.40644 11.93574 3.16775 -179.64726 1135.96006
1065.0000 -192.27193 -180.53888 11.73305 3.13436 -180.27241 1158.02975
1070.0000 -192.99737 -180.36232 12.63506 3.09997 -180.91623 1111.83434
1075.0000 -190.93769 -180.22399 10.71370 3.11375 -180.65819 1130.54835
1080.0000 -189.86004 -178.49191 11.36813 3.19138 -179.20497 1222.65826
1085.0000 -193.18977 -179.36339 13.82637 3.24844 -178.13669 1225.10831
1090.0000 -193.15623 -180.93840 12.21783 3.12906 -180.37172 1140.48666
1095.0000 -193.53854 -182.28592 11.25262 3.08054 -181.28003 1114.53788
1100.0000 -191.43868 -182.22643 9.21225 3.02306 -182.35605 1086.78055
1105.0000 -191.99619 -180.08292 11.91327 3.09331 -181.04096 1127.80085
1110.0000 -193.11882 -180.60604 12.51278 3.12335 -180.47854 1122.20680
1115.0000 -191.16758 -178.45533 12.71225 3.14825 -180.01234 1177.37274
1120.0000 -192.31117 -177.97730 14.33388 3.23976 -178.29928 1177.24303
1125.0000 -192.03795 -180.25018 11.78777 3.16152 -179.76397 1160.19589
1130.0000 -191.33773 -178.07785 13.25988 3.14471 -180.07873 1113.74489
1135.0000 -191.79777 -180.77717 11.02059 3.12504 -180.44685 1098.81580
1140.0000 -192.97987 -179.05289 13.92698 3.15698 -179.84902 1168.34870
1145.0000 -190.87765 -178.60179 12.27586 3.17865 -179.44329 1182.15219
1150.0000 -190.40887 -177.42561 12.98326 3.19741 -179.09207 1163.58402
1155.0000 -192.34719 -179.62039 12.72680 3.29989 -177.17357 1194.76389
1160.0000 -190.69975 -180.16630 10.53345 3.18744 -179.27868 1169.63440
1165.0000 -189.95762 -178.26624 11.69138 3.18849 -179.25901 1168.09877
1170.0000 -191.20816 -179.88276 11.32540 3.16950 -179.61456 1136.24579
1175.0000 -193.20171 -180.39513 12.80659 3.09507 -181.00794 1112.53715
1180.0000 -190.71523 -177.56268 13.15255 3.19266 -179.18108 1165.11130
1185.0000 -191.91882 -179.38376 12.53506 3.27071 -177.71992 1233.58655
1190.0000 -191.08827 -180.37574 10.71253 3.18972 -179.23595 1183.86772
1195.0000 -188.53949 -179.40208 9.13742 3.14369 -180.09777 1123.21898
1200.0000 -190.82971 -180.02216 10.80755 3.16945 -179.61552 1137.16829
1205.0000 -192.61520 -180.98315 11.63205 3.11377 -180.65788 1111.30934
1210.0000 -190.43908 -178.48029 11.95879 3.17924 -179.43215 1186.27648
1215.0000 -190.27091 -179.53826 10.73266 3.25394 -178.03382 1219.74956
1220.0000 -192.91537 -181.54672 11.36865 3.07332 -181.41515 1094.29172
1225.0000 -192.19378 -179.36983 12.82395 3.11810 -180.57672 1124.36798
1230.0000 -190.31093 -178.23901 12.07192 3.15599 -179.86755 1172.39167
1235.0000 -192.43365 -181.85853 10.57512 3.13653 -180.23181 1146.75485
1240.0000 -192.69830 -180.56199 12.13631 3.01436 -182.51887 1050.11622
1245.0000 -192.18763 -180.94723 11.24040 3.09886 -180.93696 1122.32376
1250.0000 -192.45124 -179.88801 12.56323 3.12082 -180.52588 1126.70061
FREEZING PROCESS: loop number 6 T-loop= 1126.0000000000000
main_MD> interactions number 6 at Temperature= 1126.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27991 6.19492 4.91874
force_rgl> df(natom) -0.08051 -1.52655 -2.40612
1255.0000 -191.20694 -179.42884 11.77809 3.19554 -179.12700 1165.31185
1260.0000 -192.18989 -180.89002 11.29987 3.11572 -180.62130 1153.80729
1265.0000 -192.54540 -182.01515 10.53025 3.09776 -180.95756 1142.39413
1270.0000 -194.62846 -183.07731 11.55115 3.00206 -182.74925 1073.70821
1275.0000 -194.11961 -184.61007 9.50954 2.97857 -183.18886 1039.32976
1280.0000 -191.04736 -180.01922 11.02814 3.04363 -181.97104 1107.13409
1285.0000 -191.68106 -180.78794 10.89312 3.13633 -180.23549 1167.85780
1290.0000 -192.71512 -183.40718 9.30795 3.04745 -181.89943 1092.43519
1295.0000 -194.20850 -183.21189 10.99661 3.01726 -182.46465 1072.41644
1300.0000 -196.68934 -184.25577 12.43356 2.95398 -183.64931 1007.70175
1305.0000 -193.78836 -182.94739 10.84097 2.94613 -183.79618 1049.67260
1310.0000 -192.58363 -180.97562 11.60801 3.02034 -182.40690 1082.20184
1315.0000 -192.61106 -178.94600 13.66505 3.14525 -180.06859 1112.33985
1320.0000 -192.44274 -180.49875 11.94399 3.13609 -180.24009 1132.36070
1325.0000 -191.61907 -180.24343 11.37564 3.16867 -179.63003 1154.64232
1330.0000 -191.54367 -179.60438 11.93929 3.09866 -180.94078 1128.43875
1335.0000 -192.70714 -180.32646 12.38068 3.21054 -178.84628 1204.34692
1340.0000 -193.34128 -181.76604 11.57524 3.09960 -180.92317 1096.51788
1345.0000 -192.26146 -181.07610 11.18536 3.06966 -181.48367 1088.50985
1350.0000 -193.38893 -180.83434 12.55459 3.03628 -182.10857 1065.19009
1355.0000 -190.39624 -177.08985 13.30639 3.20089 -179.02688 1170.89907
1360.0000 -190.69903 -176.54990 14.14913 3.29556 -177.25470 1236.60388
1365.0000 -190.97353 -178.71596 12.25756 3.23951 -178.30397 1220.76354
1370.0000 -192.70481 -180.01727 12.68754 3.14832 -180.01106 1144.89727
1375.0000 -192.64488 -180.43135 12.21353 3.09283 -181.04982 1139.30916
1380.0000 -191.52230 -179.04294 12.47936 3.14585 -180.05730 1175.69124
1385.0000 -188.38923 -177.83221 10.55702 3.17510 -179.50971 1184.32068
1390.0000 -192.56363 -177.68643 14.87720 3.23078 -178.46741 1198.64213
1395.0000 -193.79394 -180.69912 13.09481 3.17763 -179.46228 1191.25832
1400.0000 -192.26888 -180.63755 11.63134 3.09795 -180.95409 1130.11946
1405.0000 -192.24688 -178.86288 13.38400 3.10146 -180.88835 1145.18183
1410.0000 -192.45856 -179.65314 12.80542 3.16033 -179.78628 1200.18554
1415.0000 -192.48215 -179.64095 12.84120 3.12653 -180.41894 1122.35849
1420.0000 -194.25520 -182.04549 12.20972 3.12948 -180.36370 1162.69385
1425.0000 -194.22008 -181.88206 12.33802 3.00064 -182.77573 1086.82511
1430.0000 -192.03342 -179.98327 12.05016 3.12211 -180.50171 1118.09971
1435.0000 -189.65278 -178.05149 11.60128 3.29098 -177.34036 1236.19790
1440.0000 -195.13352 -181.81898 13.31454 3.23007 -178.48067 1217.38721
1445.0000 -189.82764 -179.44161 10.38603 3.06243 -181.61895 1081.68885
1450.0000 -191.29013 -179.75040 11.53973 3.23243 -178.43643 1204.78041
1455.0000 -191.88313 -177.34952 14.53362 3.22542 -178.56763 1183.00408
1460.0000 -191.02481 -179.34858 11.67623 3.26505 -177.82582 1241.45112
1465.0000 -193.88315 -182.05784 11.82531 3.16589 -179.68208 1163.77514
1470.0000 -193.75019 -179.72247 14.02772 3.07988 -181.29237 1115.20749
1475.0000 -194.21609 -182.68074 11.53535 3.06444 -181.58129 1103.24656
1480.0000 -193.05457 -182.84823 10.20634 3.05548 -181.74904 1090.30843
1485.0000 -195.02490 -182.16071 12.86419 3.03518 -182.12918 1106.94275
1490.0000 -193.85687 -181.32489 12.53198 2.99564 -182.86937 1071.18377
1495.0000 -192.05495 -179.95952 12.09543 3.11958 -180.54916 1110.95642
1500.0000 -193.87215 -182.54060 11.33155 3.03431 -182.14535 1083.76066
FREEZING PROCESS: loop number 7 T-loop= 1101.0000000000000
main_MD> interactions number 7 at Temperature= 1101.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.74038 1.13159 2.15166
force_rgl> df(natom) 3.57682 -0.92374 2.22962
1505.0000 -193.44385 -183.32097 10.12288 2.98243 -183.11658 1052.44855
1510.0000 -194.51008 -181.65926 12.85082 3.03886 -182.06021 1083.74436
1515.0000 -191.78356 -180.20737 11.57620 3.12882 -180.37621 1132.30763
1520.0000 -192.11222 -179.70241 12.40981 3.11176 -180.69559 1125.48345
1525.0000 -191.65681 -177.99494 13.66187 3.16898 -179.62425 1191.25135
1530.0000 -191.89601 -179.37663 12.51938 3.18185 -179.38341 1178.57089
1535.0000 -193.76745 -182.14775 11.61970 3.13992 -180.16827 1163.45978
1540.0000 -195.44450 -182.85001 12.59448 2.99935 -182.79994 1055.89912
1545.0000 -193.50282 -179.72560 13.77722 3.06165 -181.63369 1113.62667
1550.0000 -191.87829 -178.59311 13.28518 3.18294 -179.36290 1187.90858
1555.0000 -193.51555 -181.00256 12.51300 3.12873 -180.37790 1146.86517
1560.0000 -191.90105 -182.57844 9.32261 3.05375 -181.78152 1103.09551
1565.0000 -192.86595 -182.76612 10.09983 3.00706 -182.65562 1054.14834
1570.0000 -193.37522 -182.17833 11.19690 3.05513 -181.75569 1101.03867
1575.0000 -194.58635 -183.34216 11.24419 3.01189 -182.56509 1073.83736
1580.0000 -193.31731 -181.00365 12.31365 3.03590 -182.11565 1104.49923
1585.0000 -193.57214 -182.62370 10.94845 3.07170 -181.44546 1132.40606
1590.0000 -194.01447 -183.15634 10.85814 3.01638 -182.48106 1079.16053
1595.0000 -190.32138 -179.31050 11.01088 3.04145 -182.01182 1077.97029
1600.0000 -189.76777 -176.65367 13.11411 3.16731 -179.65564 1167.31401
1605.0000 -190.23272 -178.21566 12.01706 3.29827 -177.20389 1265.14686
1610.0000 -190.90878 -180.35761 10.55117 3.24106 -178.27490 1201.76766
1615.0000 -192.48649 -181.79095 10.69555 3.13243 -180.30861 1122.32656
1620.0000 -192.41102 -182.77623 9.63479 3.04704 -181.90707 1130.01561
1625.0000 -192.56124 -180.82088 11.74036 3.13620 -180.23801 1135.96464
1630.0000 -192.22285 -180.26870 11.95415 3.07316 -181.41805 1051.91136
1635.0000 -191.51877 -181.76924 9.74953 3.10306 -180.85836 1088.65778
1640.0000 -194.21976 -181.61957 12.60019 3.03474 -182.13747 1061.35868
1645.0000 -193.26421 -180.94169 12.32252 3.08210 -181.25082 1123.92994
1650.0000 -192.21764 -179.13169 13.08595 3.11758 -180.58647 1157.00482
1655.0000 -192.26046 -181.21745 11.04301 3.13526 -180.25555 1150.71631
1660.0000 -193.11359 -182.35786 10.75573 3.08141 -181.26374 1085.32027
1665.0000 -192.91203 -182.04699 10.86504 3.06074 -181.65066 1090.12904
1670.0000 -195.32627 -184.33897 10.98731 2.99141 -182.94848 1079.60278
1675.0000 -194.36983 -183.60811 10.76172 2.97798 -183.19995 1052.23228
1680.0000 -192.26810 -181.28055 10.98755 2.98243 -183.11672 1051.33182
1685.0000 -193.26035 -182.19298 11.06737 3.09100 -181.08409 1098.05018
1690.0000 -193.68306 -182.77097 10.91208 2.97816 -183.19667 1028.27393
1695.0000 -193.58673 -180.43365 13.15308 3.11247 -180.68227 1140.32362
1700.0000 -193.12684 -182.87228 10.25456 3.06560 -181.55959 1080.34481
1705.0000 -192.89751 -181.43936 11.45816 3.02870 -182.25047 1079.04182
1710.0000 -194.93678 -183.59856 11.33821 3.02929 -182.23947 1048.97822
1715.0000 -192.14223 -181.38094 10.76129 3.02577 -182.30530 1041.23987
1720.0000 -194.63076 -183.25318 11.37758 3.07027 -181.47230 1070.20067
1725.0000 -194.02477 -182.58686 11.43792 3.02026 -182.40853 1081.74350
1730.0000 -193.56857 -181.01429 12.55428 3.01337 -182.53749 1058.05594
1735.0000 -192.31688 -181.92698 10.38990 3.08559 -181.18536 1131.27740
1740.0000 -195.02752 -181.23420 13.79332 3.08304 -181.23324 1129.82830
1745.0000 -192.58860 -181.30705 11.28154 3.02820 -182.25975 1064.74894
1750.0000 -191.01885 -180.09410 10.92475 3.11450 -180.64427 1117.00467
FREEZING PROCESS: loop number 8 T-loop= 1076.0000000000000
main_MD> interactions number 8 at Temperature= 1076.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27938 2.12038 1.58081
force_rgl> df(natom) -0.75976 -0.63876 -1.22685
1755.0000 -193.68891 -184.35678 9.33213 3.07585 -181.36784 1109.27728
1760.0000 -192.55872 -180.99071 11.56801 3.01064 -182.58860 1091.99486
1765.0000 -191.61720 -180.14196 11.47524 3.12510 -180.44575 1128.18556
1770.0000 -193.92717 -180.03313 13.89404 3.13390 -180.28101 1181.34275
1775.0000 -192.41747 -180.02901 12.38846 3.19134 -179.20572 1160.39530
1780.0000 -191.58025 -179.89615 11.68410 3.12433 -180.46027 1144.84463
1785.0000 -192.69691 -181.70489 10.99203 3.10606 -180.80222 1105.73703
1790.0000 -193.57944 -182.10298 11.47646 3.04129 -182.01480 1099.60151
1795.0000 -194.01941 -182.11090 11.90851 3.01257 -182.55246 1066.80532
1800.0000 -195.04773 -181.36623 13.68150 3.10552 -180.81238 1124.18145
1805.0000 -191.66613 -180.52714 11.13899 3.09951 -180.92492 1139.48010
1810.0000 -194.54014 -182.09160 12.44854 3.12630 -180.42340 1156.62490
1815.0000 -195.03278 -182.92719 12.10559 2.94656 -183.78813 1014.43173
1820.0000 -193.43511 -181.90218 11.53293 3.00810 -182.63617 1051.59455
1825.0000 -194.46799 -181.83234 12.63565 3.04865 -181.87695 1045.60679
1830.0000 -194.68159 -184.56848 10.11311 2.93291 -184.04374 1008.25141
1835.0000 -191.86897 -181.48705 10.38192 2.93692 -183.96856 1025.35969
1840.0000 -194.31791 -183.28079 11.03712 3.01213 -182.56064 1061.11727
1845.0000 -192.80675 -182.56067 10.24608 2.93660 -183.97459 1016.66747
1850.0000 -195.56534 -182.26527 13.30007 2.98063 -183.15043 1052.81767
1855.0000 -193.44699 -180.19602 13.25097 3.06120 -181.64207 1116.73868
1860.0000 -190.12378 -179.85005 10.27374 3.04999 -181.85192 1121.29556
1865.0000 -192.26954 -183.08085 9.18869 3.05686 -181.72336 1054.90305
1870.0000 -194.38325 -183.54571 10.83754 3.00580 -182.67923 1053.55783
1875.0000 -193.39169 -183.39134 10.00036 2.99494 -182.88237 1039.57724
1880.0000 -191.67650 -179.07545 12.60106 3.07011 -181.47515 1111.88648
1885.0000 -193.99491 -183.18157 10.81334 3.07328 -181.41582 1148.92842
1890.0000 -193.23222 -181.07375 12.15847 2.99603 -182.86203 1058.20613
1895.0000 -193.02332 -181.60540 11.41793 3.06326 -181.60355 1116.65737
1900.0000 -194.12504 -181.76937 12.35567 3.09300 -181.04674 1125.37239
1905.0000 -192.93441 -182.47516 10.45925 3.01084 -182.58471 1041.42941
1910.0000 -191.76561 -181.65279 10.11281 3.02191 -182.37763 1054.59438
1915.0000 -193.04848 -181.25435 11.79413 3.01625 -182.48347 1060.79934
1920.0000 -195.24560 -182.01085 13.23474 3.08412 -181.21286 1115.59431
1925.0000 -193.08740 -181.63629 11.45111 3.03402 -182.15079 1083.97892
1930.0000 -191.93168 -181.78443 10.14724 3.11572 -180.62137 1101.93035
1935.0000 -192.49344 -182.87629 9.61714 3.00797 -182.63862 1082.71809
1940.0000 -193.46736 -184.25673 9.21063 2.92357 -184.21850 998.10388
1945.0000 -193.05325 -182.12802 10.92522 3.02666 -182.28861 1068.98454
1950.0000 -192.18772 -179.78866 12.39906 3.11584 -180.61905 1174.56344
1955.0000 -191.69194 -179.59116 12.10078 3.16803 -179.64206 1169.77304
1960.0000 -190.43678 -178.98062 11.45615 3.17248 -179.55884 1177.88176
1965.0000 -192.96968 -180.19584 12.77384 3.18038 -179.41096 1176.03869
1970.0000 -192.71181 -181.27065 11.44116 3.10902 -180.74679 1135.79983
1975.0000 -192.58225 -181.89106 10.69119 3.10616 -180.80027 1125.67339
1980.0000 -194.08137 -183.85306 10.22831 3.05304 -181.79474 1095.08384
1985.0000 -193.22704 -182.64997 10.57706 2.99128 -182.95097 1049.98726
1990.0000 -193.63109 -183.16909 10.46200 2.97550 -183.24642 1046.53361
1995.0000 -192.74208 -181.50255 11.23953 3.00624 -182.67097 1071.61557
2000.0000 -193.18862 -181.52389 11.66472 3.12233 -180.49771 1125.73460
FREEZING PROCESS: loop number 9 T-loop= 1051.0000000000000
main_MD> interactions number 9 at Temperature= 1051.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33217 2.41412 0.58956
force_rgl> df(natom) -2.94420 2.48850 0.72416
2005.0000 -191.84130 -180.93608 10.90522 3.00397 -182.71336 1058.28101
2010.0000 -193.81680 -183.03471 10.78208 3.07880 -181.31263 1094.44512
2015.0000 -195.31520 -182.67186 12.64334 2.98945 -182.98521 1057.87677
2020.0000 -195.23640 -185.08001 10.15639 2.90489 -184.56820 981.98287
2025.0000 -194.36960 -185.44366 8.92593 2.86709 -185.27592 983.97637
2030.0000 -193.76222 -183.11085 10.65137 2.86534 -185.30875 961.62856
2035.0000 -192.77512 -182.38786 10.38726 3.00214 -182.74761 1060.90754
2040.0000 -196.03700 -185.38697 10.65003 2.98540 -183.06100 1073.87172
2045.0000 -193.21997 -183.38077 9.83920 2.95975 -183.54132 1031.61987
2050.0000 -194.30184 -182.79635 11.50549 3.01335 -182.53775 1078.51372
2055.0000 -194.30642 -183.32124 10.98518 3.02492 -182.32120 1071.28420
2060.0000 -193.15274 -182.30259 10.85015 3.00311 -182.72952 1070.65524
2065.0000 -195.22220 -182.46554 12.75667 3.04694 -181.90895 1094.77037
2070.0000 -193.80335 -182.45413 11.34921 3.01974 -182.41814 1073.61088
2075.0000 -191.91679 -180.89123 11.02556 3.09898 -180.93471 1085.45717
2080.0000 -194.57487 -182.28601 12.28887 3.07159 -181.44745 1117.52648
2085.0000 -194.65211 -184.35953 10.29258 2.97463 -183.26268 1049.44429
2090.0000 -195.30863 -184.58340 10.72523 2.93722 -183.96294 1025.60046
2095.0000 -193.47145 -183.02823 10.44322 2.95102 -183.70474 1043.48853
2100.0000 -195.77596 -186.12662 9.64933 2.95303 -183.66700 1022.75474
2105.0000 -193.21494 -183.22630 9.98864 2.91052 -184.46289 1009.18977
2110.0000 -195.49799 -181.74688 13.75110 2.99764 -182.83189 1075.97945
2115.0000 -194.76949 -184.42380 10.34569 2.98322 -183.10186 1056.50683
2120.0000 -194.02534 -182.14086 11.88447 2.93211 -184.05862 1039.98126
2125.0000 -191.90062 -180.56540 11.33522 3.08124 -181.26680 1144.01711
2130.0000 -193.47973 -182.13597 11.34376 3.09364 -181.03463 1146.25122
2135.0000 -195.68157 -184.48035 11.20122 2.95173 -183.69134 1009.85851
2140.0000 -194.94049 -183.54663 11.39386 2.97113 -183.32824 1029.58633
2145.0000 -192.78280 -183.14309 9.63971 2.92132 -184.26074 1028.39593
2150.0000 -195.59239 -184.87184 10.72055 2.95149 -183.69594 1042.42578
2155.0000 -195.29546 -183.66670 11.62875 2.88067 -185.02170 978.93664
2160.0000 -195.04005 -182.93713 12.10292 2.97798 -183.19995 1040.27296
2165.0000 -194.84603 -183.59707 11.24896 3.03214 -182.18606 1081.03232
2170.0000 -196.88738 -185.70143 11.18595 2.91820 -184.31911 1021.55453
2175.0000 -195.18552 -184.99277 10.19275 2.87220 -185.18033 973.20804
2180.0000 -194.66338 -184.86315 9.80023 2.92230 -184.24240 1023.69427
2185.0000 -194.59474 -183.83258 10.76216 2.86311 -185.35041 970.57100
2190.0000 -193.03441 -182.16393 10.87047 2.99468 -182.88742 1054.37255
2195.0000 -193.83660 -183.02024 10.81636 3.01104 -182.58099 1085.58482
2200.0000 -195.61863 -182.04623 13.57240 2.97482 -183.25922 1060.74971
2205.0000 -193.79102 -182.44630 11.34472 3.00527 -182.68916 1081.63566
2210.0000 -194.25617 -184.55803 9.69814 2.98919 -182.99011 1062.77811
2215.0000 -194.66371 -183.70709 10.95662 2.90764 -184.51677 990.39548
2220.0000 -194.24736 -182.75841 11.48895 2.94245 -183.86503 1007.56368
2225.0000 -193.43232 -183.04205 10.39027 3.03085 -182.21020 1049.11367
2230.0000 -192.85515 -182.15881 10.69634 3.03397 -182.15185 1074.04977
2235.0000 -194.66024 -182.73036 11.92988 2.99162 -182.94459 1055.96849
2240.0000 -194.57473 -183.01539 11.55933 2.97728 -183.21309 1048.57396
2245.0000 -194.54641 -184.68660 9.85980 2.96541 -183.43534 1021.36952
2250.0000 -195.59444 -182.96577 12.62867 2.95357 -183.65693 1025.60905
FREEZING PROCESS: loop number 10 T-loop= 1026.0000000000000
main_MD> interactions number 10 at Temperature= 1026.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31840 -2.01836 -0.84172
force_rgl> df(natom) 4.51098 -3.54677 3.07192
2255.0000 -192.82750 -182.81094 10.01656 2.94498 -183.81784 1023.34626
2260.0000 -194.81289 -182.69459 12.11830 2.97908 -183.17946 1052.81320
2265.0000 -195.13575 -183.73149 11.40426 2.93403 -184.02283 1042.58466
2270.0000 -195.53140 -186.07903 9.45237 2.88724 -184.89867 966.06072
2275.0000 -194.47645 -184.16377 10.31268 2.88748 -184.89415 963.28573
2280.0000 -194.17880 -183.63726 10.54154 3.00594 -182.67663 1084.80437
2285.0000 -196.22752 -185.06160 11.16592 2.88005 -185.03332 989.90630
2290.0000 -195.87832 -185.13288 10.74544 2.87209 -185.18239 1002.61972
2295.0000 -194.54188 -184.11175 10.43013 2.88432 -184.95342 962.66592
2300.0000 -195.67998 -184.86413 10.81586 2.89098 -184.82867 992.49336
2305.0000 -194.31879 -183.52820 10.79059 2.92520 -184.18799 1023.29647
2310.0000 -194.06951 -183.26514 10.80437 2.98069 -183.14932 1041.30090
2315.0000 -194.00016 -181.62344 12.37672 2.98844 -183.00417 1032.03579
2320.0000 -196.14021 -185.71664 10.42356 2.85884 -185.43034 992.24915
2325.0000 -195.44769 -185.11599 10.33171 2.84039 -185.77582 970.53432
2330.0000 -195.45274 -184.04198 11.41076 2.85849 -185.43694 993.50815
2335.0000 -194.50590 -184.14513 10.36077 2.91256 -184.42470 968.42256
2340.0000 -194.90061 -183.93012 10.97049 2.93279 -184.04590 1003.51149
2345.0000 -193.79855 -181.60134 12.19720 3.05539 -181.75085 1118.18831
2350.0000 -192.83390 -182.36821 10.46570 3.06797 -181.51531 1091.39933
2355.0000 -193.67901 -183.12080 10.55821 3.01681 -182.47296 1088.59830
2360.0000 -193.40458 -183.60549 9.79909 2.99521 -182.87745 1045.37417
2365.0000 -193.82634 -182.63833 11.18801 3.01902 -182.43170 1083.95693
2370.0000 -194.03370 -182.35981 11.67389 2.99522 -182.87724 1025.52341
2375.0000 -194.45000 -185.05555 9.39445 2.98179 -183.12862 1014.48816
2380.0000 -193.69925 -183.37326 10.32600 2.91436 -184.39090 998.11910
2385.0000 -194.39271 -183.59894 10.79377 2.98447 -183.07848 1039.60119
2390.0000 -193.37441 -182.54276 10.83165 2.89947 -184.66983 995.15410
2395.0000 -195.04582 -184.70561 10.34021 3.00153 -182.75910 1046.58953
2400.0000 -194.28174 -183.18452 11.09722 2.91540 -184.37155 1010.18980
2405.0000 -195.78267 -185.15164 10.63103 2.89661 -184.72325 999.87653
2410.0000 -193.27504 -183.08399 10.19105 2.94383 -183.83937 1035.92390
2415.0000 -194.19943 -182.73096 11.46847 3.00424 -182.70837 1054.35916
2420.0000 -193.16830 -184.17437 8.99394 3.01144 -182.57349 1050.78791
2425.0000 -193.54708 -183.13035 10.41672 2.97482 -183.25918 1058.88555
2430.0000 -194.48823 -183.88175 10.60648 2.94843 -183.75323 1042.09837
2435.0000 -194.98939 -183.35776 11.63163 2.94487 -183.81979 1012.93714
2440.0000 -197.55756 -187.04504 10.51252 2.84233 -185.73939 948.90749
2445.0000 -195.48637 -186.63232 8.85405 2.78135 -186.88111 925.43022
2450.0000 -195.43385 -184.10303 11.33082 2.86378 -185.33793 965.57006
2455.0000 -193.74619 -182.60838 11.13782 2.94988 -183.72594 1067.47981
2460.0000 -192.79469 -180.74385 12.05084 3.01512 -182.50474 1076.11396
2465.0000 -193.69424 -182.24825 11.44599 3.08304 -181.23326 1115.55698
2470.0000 -193.68483 -182.87014 10.81469 2.96160 -183.50666 1043.00854
2475.0000 -194.21130 -182.72162 11.48969 2.98907 -182.99239 1057.87079
2480.0000 -195.16951 -184.15938 11.01013 2.92165 -184.25458 991.38907
2485.0000 -195.63630 -185.33302 10.30328 2.89759 -184.70500 1018.45675
2490.0000 -195.62575 -182.83735 12.78840 2.93787 -183.95085 1023.77622
2495.0000 -193.65488 -184.16747 9.48741 2.95019 -183.72015 1031.95205
2500.0000 -194.53252 -183.75343 10.77909 2.97576 -183.24147 1039.67678
FREEZING PROCESS: loop number 11 T-loop= 1001.0000000000000
main_MD> interactions number 11 at Temperature= 1001.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.16051 4.04180 -0.37277
force_rgl> df(natom) -1.35181 -2.00069 3.16420
2505.0000 -194.07087 -183.56555 10.50532 2.93965 -183.91760 1016.39150
2510.0000 -194.15531 -184.21588 9.93943 2.94005 -183.90999 1023.55846
2515.0000 -195.38171 -186.10739 9.27432 2.89969 -184.66555 996.17408
2520.0000 -193.66526 -182.63563 11.02963 2.91527 -184.37393 988.54094
2525.0000 -196.66052 -186.67484 9.98567 2.87124 -185.19816 976.03220
2530.0000 -195.15455 -185.01690 10.13765 2.82515 -186.06097 949.21999
2535.0000 -197.18187 -187.24690 9.93497 2.82147 -186.13003 955.32178
2540.0000 -194.19988 -184.61137 9.58851 2.91282 -184.41972 1004.39673
2545.0000 -195.79143 -187.30147 8.48996 2.83071 -185.95694 958.05967
2550.0000 -196.10419 -185.23154 10.87265 2.83662 -185.84637 936.89291
2555.0000 -195.68052 -185.36359 10.31693 2.86164 -185.37803 968.78223
2560.0000 -194.31423 -183.64860 10.66563 2.89125 -184.82366 971.76674
2565.0000 -195.60508 -185.45886 10.14622 2.85687 -185.46727 982.76346
2570.0000 -195.35953 -185.40409 9.95545 2.81302 -186.28819 949.31265
2575.0000 -195.90192 -185.46447 10.43746 2.92422 -184.20649 1015.15306
2580.0000 -195.68935 -184.03074 11.65861 2.92792 -184.13722 983.29416
2585.0000 -194.37511 -184.44140 9.93371 2.91524 -184.37460 1005.63474
2590.0000 -194.21490 -183.19039 11.02451 2.93780 -183.95207 1016.34995
2595.0000 -195.77170 -185.44006 10.33165 2.91675 -184.34631 1018.24067
2600.0000 -196.15441 -186.52905 9.62536 2.82711 -186.02430 931.26425
2605.0000 -195.81488 -185.56498 10.24990 2.84251 -185.73610 975.27841
2610.0000 -195.72536 -183.98780 11.73756 2.89917 -184.67540 1024.16439
2615.0000 -195.77675 -184.88442 10.89233 2.93507 -184.00319 1038.18265
2620.0000 -195.53874 -185.46308 10.07566 2.88483 -184.94374 987.48876
2625.0000 -192.49997 -181.41932 11.08065 2.89356 -184.78040 983.06910
2630.0000 -190.49369 -181.45502 9.03867 3.09479 -181.01315 1097.83736
2635.0000 -196.79422 -185.01739 11.77683 2.98136 -183.13665 1060.56534
2640.0000 -193.37662 -182.10971 11.26691 2.92948 -184.10784 1030.04762
2645.0000 -194.39957 -182.65070 11.74887 2.95253 -183.67636 1008.18181
2650.0000 -193.04750 -182.99525 10.05224 3.00907 -182.61787 1038.93625
2655.0000 -194.47622 -182.50270 11.97352 2.95741 -183.58512 1039.60614
2660.0000 -196.17428 -184.43747 11.73681 2.96210 -183.49721 1028.75296
2665.0000 -194.23912 -185.39095 8.84816 2.88469 -184.94637 1018.04625
2670.0000 -195.32317 -184.73366 10.58951 2.86656 -185.28581 996.71346
2675.0000 -195.90514 -186.05587 9.84927 2.84261 -185.73417 968.01707
2680.0000 -196.39673 -185.73336 10.66337 2.82804 -186.00687 910.35707
2685.0000 -193.67448 -183.21374 10.46074 2.91171 -184.44059 1010.03781
2690.0000 -194.61968 -184.93618 9.68350 2.91138 -184.44683 1025.09201
2695.0000 -195.52597 -185.01006 10.51591 2.93819 -183.94477 1039.05842
2700.0000 -195.17127 -186.93055 8.24072 2.85583 -185.48668 963.93335
2705.0000 -194.94073 -184.23972 10.70100 2.87932 -185.04702 981.92398
2710.0000 -195.36948 -183.73747 11.63201 2.94886 -183.74517 1034.79436
2715.0000 -193.26028 -181.07350 12.18678 2.99034 -182.96853 1044.43845
2720.0000 -194.37080 -183.79705 10.57375 3.02266 -182.36351 1076.22858
2725.0000 -195.85637 -186.48043 9.37594 2.90057 -184.64914 1008.38296
2730.0000 -195.19461 -184.80686 10.38775 2.82397 -186.08306 961.23782
2735.0000 -195.22851 -183.13135 12.09715 2.96153 -183.50783 1025.21180
2740.0000 -193.16990 -180.95159 12.21831 2.97926 -183.17603 1071.53266
2745.0000 -195.77201 -182.89058 12.88143 3.10186 -180.88079 1126.20959
2750.0000 -196.08815 -184.77412 11.31403 2.98742 -183.02325 1068.77499
FREEZING PROCESS: loop number 12 T-loop= 976.00000000000000
main_MD> interactions number 12 at Temperature= 976.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81859 -1.32879 -0.89251
force_rgl> df(natom) 1.37958 1.98821 -2.60027
2755.0000 -193.56360 -184.70107 8.86253 2.87775 -185.07628 997.21345
2760.0000 -194.53514 -184.36939 10.16575 2.92730 -184.14871 1000.61080
2765.0000 -193.06821 -184.07553 8.99268 2.91185 -184.43791 1019.52219
2770.0000 -197.12232 -187.93288 9.18944 2.87286 -185.16788 967.94781
2775.0000 -196.93090 -186.15794 10.77295 2.75130 -187.44353 920.01805
2780.0000 -195.12619 -185.33626 9.78994 2.84227 -185.74047 957.72821
2785.0000 -195.43897 -186.56817 8.87080 2.80901 -186.36316 928.64026
2790.0000 -195.19439 -185.89620 9.29819 2.82935 -185.98236 954.17268
2795.0000 -190.97207 -179.98204 10.99003 3.00750 -182.64737 1061.67064
2800.0000 -193.64436 -181.44119 12.20317 3.05648 -181.73032 1097.74887
2805.0000 -195.69391 -183.82535 11.86856 2.97743 -183.21029 1066.08109
2810.0000 -198.17730 -186.96996 11.20734 2.88370 -184.96503 958.24937
2815.0000 -195.90360 -185.98044 9.92316 2.78844 -186.74833 902.22739
2820.0000 -195.58977 -186.17978 9.40999 2.83821 -185.81650 963.85885
2825.0000 -195.62558 -184.69496 10.93062 2.90549 -184.55698 991.46743
2830.0000 -195.11686 -184.35088 10.76598 2.85396 -185.52180 961.84137
2835.0000 -196.03111 -185.68182 10.34929 2.91435 -184.39118 996.03943
2840.0000 -196.58646 -187.03286 9.55359 2.78604 -186.79319 929.95571
2845.0000 -196.32185 -187.45348 8.86837 2.77547 -186.99118 924.04913
2850.0000 -195.24345 -186.51106 8.73239 2.74993 -187.46930 917.65451
2855.0000 -195.62621 -185.38802 10.23818 2.86917 -185.23695 982.93260
2860.0000 -195.89885 -184.73866 11.16019 2.90751 -184.51922 976.76963
2865.0000 -195.09648 -186.26671 8.82976 2.88536 -184.93396 981.06567
2870.0000 -195.78368 -186.01919 9.76449 2.85917 -185.42426 969.64525
2875.0000 -195.32127 -185.66117 9.66010 2.84543 -185.68140 974.92552
2880.0000 -196.02140 -187.77411 8.24729 2.82328 -186.09600 947.26147
2885.0000 -196.83395 -186.23965 10.59430 2.80333 -186.46963 905.97877
2890.0000 -197.22901 -186.73447 10.49453 2.82813 -186.00529 976.23321
2895.0000 -192.82933 -182.81345 10.01588 2.86133 -185.38381 983.84991
2900.0000 -193.95507 -185.48993 8.46514 2.96402 -183.46124 1018.44339
2905.0000 -193.90610 -183.98787 9.91823 2.90571 -184.55291 975.01014
2910.0000 -193.62896 -184.96657 8.66239 2.91339 -184.40911 985.81989
2915.0000 -195.54358 -184.85201 10.69158 2.94147 -183.88348 983.81349
2920.0000 -195.94615 -184.72381 11.22234 2.90076 -184.64551 971.50394
2925.0000 -196.46613 -185.77050 10.69564 2.87943 -185.04483 984.37088
2930.0000 -194.62596 -183.48297 11.14299 2.90073 -184.64605 1002.11896
2935.0000 -195.02492 -186.32706 8.69786 2.86384 -185.33667 974.86505
2940.0000 -196.21522 -186.84571 9.36951 2.77316 -187.03432 902.66370
2945.0000 -194.10099 -184.76123 9.33976 2.83426 -185.89045 964.83787
2950.0000 -196.81993 -187.53461 9.28532 2.79442 -186.63640 928.26304
2955.0000 -195.76704 -187.02041 8.74664 2.81136 -186.31923 939.11852
2960.0000 -195.39786 -185.27679 10.12107 2.79906 -186.54950 936.49258
2965.0000 -194.98203 -185.53474 9.44729 2.81093 -186.32720 965.20413
2970.0000 -195.83529 -186.26009 9.57520 2.83665 -185.84582 948.54162
2975.0000 -196.92784 -186.19301 10.73483 2.80600 -186.41951 921.63160
2980.0000 -194.77035 -184.92018 9.85016 2.85368 -185.52687 952.56791
2985.0000 -195.91863 -184.91068 11.00796 2.85829 -185.44072 976.00684
2990.0000 -197.57743 -186.20753 11.36990 2.84491 -185.69122 957.32125
2995.0000 -193.62381 -184.39379 9.23002 2.85023 -185.59161 980.05878
3000.0000 -195.33881 -185.94720 9.39161 2.89037 -184.84018 978.84608
FREEZING PROCESS: loop number 13 T-loop= 951.00000000000000
main_MD> interactions number 13 at Temperature= 951.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98002 0.92413 -1.98595
force_rgl> df(natom) -2.40484 1.66441 2.16195
3005.0000 -196.39418 -187.60285 8.79134 2.78880 -186.74151 958.31710
3010.0000 -195.84847 -185.68669 10.16178 2.78239 -186.86162 915.16269
3015.0000 -195.23800 -183.32663 11.91137 2.94338 -183.84771 1038.07168
3020.0000 -194.39255 -184.65562 9.73693 2.90351 -184.59414 999.05156
3025.0000 -194.33934 -184.66840 9.67094 2.91778 -184.32698 1019.59012
3030.0000 -196.20077 -186.80351 9.39726 2.86557 -185.30443 963.33150
3035.0000 -197.44059 -187.77522 9.66537 2.74207 -187.61630 889.27794
3040.0000 -197.35553 -188.79680 8.55872 2.73490 -187.75056 900.71302
3045.0000 -195.55287 -185.68425 9.86862 2.74368 -187.58622 900.75171
3050.0000 -196.17708 -184.74449 11.43259 2.86869 -185.24601 973.66407
3055.0000 -195.61009 -185.44616 10.16393 2.90226 -184.61746 999.80696
3060.0000 -193.67787 -184.46606 9.21180 2.92238 -184.24079 1011.62578
3065.0000 -195.98702 -186.61958 9.36744 2.86147 -185.38113 988.36350
3070.0000 -195.34346 -184.93592 10.40754 2.81876 -186.18076 961.64359
3075.0000 -194.87485 -184.26086 10.61399 2.95100 -183.70501 1034.31824
3080.0000 -196.66585 -187.11986 9.54599 2.88415 -184.95662 961.19744
3085.0000 -196.83695 -188.24316 8.59379 2.78375 -186.83603 908.12216
3090.0000 -196.49159 -186.25459 10.23701 2.78639 -186.78676 901.02986
3095.0000 -195.94825 -186.76912 9.17913 2.78102 -186.88723 904.45117
3100.0000 -195.29945 -184.76459 10.53486 2.86183 -185.37444 954.06533
3105.0000 -196.38438 -186.64602 9.73835 2.80569 -186.42533 936.19638
3110.0000 -196.67472 -185.17600 11.49871 2.82213 -186.11756 910.73549
3115.0000 -195.67123 -184.67812 10.99311 2.89027 -184.84188 972.01151
3120.0000 -196.51971 -185.77587 10.74384 2.82281 -186.10490 986.96664
3125.0000 -196.81904 -186.36595 10.45310 2.85174 -185.56324 983.09732
3130.0000 -196.67425 -187.75550 8.91875 2.76712 -187.14735 924.07163
3135.0000 -196.93230 -185.98609 10.94621 2.80846 -186.37342 930.23462
3140.0000 -196.37007 -186.87345 9.49662 2.78609 -186.79227 938.91118
3145.0000 -197.13201 -186.74809 10.38392 2.74984 -187.47096 889.30944
3150.0000 -197.19195 -186.62574 10.56621 2.84987 -185.59836 945.43606
3155.0000 -195.17078 -185.45622 9.71456 2.79322 -186.65878 927.26105
3160.0000 -195.59316 -185.73972 9.85344 2.86665 -185.28418 970.31476
3165.0000 -196.70505 -186.58873 10.11632 2.85668 -185.47072 969.26750
3170.0000 -195.54686 -185.49712 10.04974 2.82773 -186.01268 922.80014
3175.0000 -195.08601 -185.56999 9.51603 2.86538 -185.30790 955.77176
3180.0000 -194.95697 -184.90672 10.05025 2.81262 -186.29564 951.76110
3185.0000 -193.83384 -182.75963 11.07421 2.93160 -184.06815 1027.80719
3190.0000 -194.27295 -183.21830 11.05465 2.97374 -183.27938 1043.44282
3195.0000 -193.74203 -182.42822 11.31380 2.94055 -183.90068 1012.56808
3200.0000 -195.97065 -186.28399 9.68666 2.87602 -185.10870 968.74882
3205.0000 -195.33911 -185.68098 9.65813 2.81461 -186.25845 940.64252
3210.0000 -197.31875 -188.42420 8.89455 2.76774 -187.13589 860.05861
3215.0000 -197.05447 -188.54492 8.50955 2.73303 -187.78558 883.50439
3220.0000 -196.79709 -187.26527 9.53182 2.73658 -187.71920 887.63707
3225.0000 -195.27063 -185.41175 9.85887 2.83165 -185.93936 964.50358
3230.0000 -197.51974 -187.32624 10.19350 2.84501 -185.68923 978.98891
3235.0000 -196.46744 -186.62109 9.84635 2.75773 -187.32317 924.76781
3240.0000 -197.62569 -188.13857 9.48712 2.76154 -187.25181 914.73020
3245.0000 -196.69789 -188.31890 8.37898 2.77754 -186.95241 914.78003
3250.0000 -197.86034 -187.61310 10.24724 2.72338 -187.96632 885.27492
FREEZING PROCESS: loop number 14 T-loop= 926.00000000000000
main_MD> interactions number 14 at Temperature= 926.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.44159 4.57112 2.27978
force_rgl> df(natom) 1.19332 -2.80055 -7.58009
3255.0000 -196.57943 -186.52121 10.05822 2.70786 -188.25686 871.78951
3260.0000 -195.59466 -187.25678 8.33787 2.74002 -187.65472 879.22285
3265.0000 -197.37435 -187.86099 9.51337 2.74100 -187.63650 893.82984
3270.0000 -194.12193 -185.22465 8.89728 2.78578 -186.79803 897.01285
3275.0000 -195.78732 -185.64103 10.14629 2.85703 -185.46431 964.49791
3280.0000 -194.82243 -185.47147 9.35096 2.83263 -185.92108 932.33713
3285.0000 -196.76300 -186.66983 10.09317 2.85077 -185.58143 958.81067
3290.0000 -196.59959 -186.77772 9.82187 2.79466 -186.63181 929.69170
3295.0000 -196.54350 -185.75345 10.79005 2.86912 -185.23785 984.51127
3300.0000 -195.40557 -184.98320 10.42237 2.83804 -185.81982 981.31090
3305.0000 -196.29317 -183.99651 12.29666 2.92841 -184.12791 1010.97048
3310.0000 -195.22929 -186.13601 9.09328 2.87864 -185.05974 995.10633
3315.0000 -194.80228 -186.02633 8.77595 2.82397 -186.08312 948.00177
3320.0000 -196.64616 -185.97192 10.67424 2.86164 -185.37789 954.51888
3325.0000 -196.03765 -186.00292 10.03473 2.82691 -186.02805 953.49237
3330.0000 -195.76385 -184.17578 11.58807 2.82911 -185.98700 940.96900
3335.0000 -194.12272 -183.27283 10.84989 2.96312 -183.47807 1044.82297
3340.0000 -195.97025 -186.86363 9.10661 2.90451 -184.57530 998.50934
3345.0000 -196.58298 -186.45003 10.13294 2.81146 -186.31740 924.46947
3350.0000 -195.90067 -186.32539 9.57527 2.77120 -187.07108 913.90459
3355.0000 -197.52998 -186.52068 11.00930 2.78926 -186.73290 901.02581
3360.0000 -196.24551 -186.12145 10.12407 2.82428 -186.07732 965.79333
3365.0000 -197.23021 -186.63515 10.59506 2.81195 -186.30813 931.34746
3370.0000 -195.04019 -184.36011 10.68008 2.87191 -185.18576 999.73777
3375.0000 -195.55594 -185.21990 10.33604 2.88839 -184.87721 957.23757
3380.0000 -195.70401 -187.23160 8.47241 2.88214 -184.99422 983.86519
3385.0000 -196.36639 -186.44964 9.91674 2.78279 -186.85414 914.60688
3390.0000 -196.72335 -185.05312 11.67023 2.81001 -186.34458 966.50939
3395.0000 -196.01011 -187.18143 8.82869 2.79621 -186.60284 913.73224
3400.0000 -196.33285 -186.42436 9.90849 2.77296 -187.03818 908.17385
3405.0000 -194.28517 -185.38289 8.90228 2.85747 -185.45599 996.15752
3410.0000 -196.65337 -187.29585 9.35753 2.78995 -186.71995 909.23561
3415.0000 -196.27901 -187.22186 9.05715 2.76965 -187.10010 873.05257
3420.0000 -195.87848 -187.20801 8.67047 2.74878 -187.49075 904.89149
3425.0000 -195.29659 -185.34037 9.95622 2.79542 -186.61760 905.07054
3430.0000 -196.69612 -185.52420 11.17192 2.82868 -185.99501 939.78631
3435.0000 -196.24350 -186.49803 9.74546 2.86035 -185.40205 972.65823
3440.0000 -196.88991 -186.78042 10.10948 2.76517 -187.18387 906.35507
3445.0000 -195.43914 -186.35501 9.08413 2.77452 -187.00881 899.83546
3450.0000 -195.33637 -185.36333 9.97304 2.87247 -185.17523 961.66422
3455.0000 -196.42535 -187.54734 8.87802 2.80863 -186.37034 955.54576
3460.0000 -196.71999 -187.48959 9.23040 2.76524 -187.18271 901.70080
3465.0000 -197.25409 -188.73740 8.51669 2.69647 -188.47002 855.92403
3470.0000 -197.97798 -188.08389 9.89410 2.68299 -188.72236 849.53498
3475.0000 -196.79336 -187.22271 9.57065 2.75433 -187.38687 918.74377
3480.0000 -194.86396 -185.39667 9.46729 2.83582 -185.86132 936.61141
3485.0000 -196.20841 -186.52387 9.68454 2.81297 -186.28904 931.01551
3490.0000 -195.76798 -186.70607 9.06191 2.76029 -187.27532 915.57757
3495.0000 -196.42977 -187.82614 8.60363 2.77288 -187.03963 898.62277
3500.0000 -195.10311 -185.18849 9.91463 2.83136 -185.94479 954.82064
FREEZING PROCESS: loop number 15 T-loop= 901.00000000000000
main_MD> interactions number 15 at Temperature= 901.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.67694 2.23996 -1.71019
force_rgl> df(natom) 0.76632 -0.77966 -2.89517
3505.0000 -195.95474 -186.14668 9.80805 2.85539 -185.49491 951.70922
3510.0000 -196.02905 -187.77825 8.25080 2.79043 -186.71097 901.67114
3515.0000 -196.97898 -187.16450 9.81448 2.69760 -188.44883 870.87397
3520.0000 -196.39671 -187.13042 9.26629 2.71642 -188.09659 879.06503
3525.0000 -196.58684 -186.95818 9.62866 2.78851 -186.74691 927.22547
3530.0000 -197.63032 -188.12753 9.50280 2.77710 -186.96052 920.94096
3535.0000 -198.71451 -189.83415 8.88036 2.69402 -188.51593 854.08828
3540.0000 -197.34935 -188.19565 9.15369 2.68308 -188.72071 855.75350
3545.0000 -196.63669 -187.38650 9.25018 2.71865 -188.05481 868.88823
3550.0000 -197.58289 -188.34267 9.24022 2.72008 -188.02810 895.58836
3555.0000 -197.90882 -189.04881 8.86002 2.68347 -188.71335 839.69808
3560.0000 -196.21104 -186.59309 9.61795 2.73297 -187.78679 897.97260
3565.0000 -197.31926 -188.86264 8.45662 2.74539 -187.55423 891.10949
3570.0000 -196.80335 -187.12329 9.68006 2.71790 -188.06883 877.40080
3575.0000 -198.28222 -188.50637 9.77585 2.74894 -187.48783 918.29986
3580.0000 -197.06104 -187.45875 9.60230 2.66821 -188.99918 864.68383
3585.0000 -197.06175 -187.30330 9.75845 2.73513 -187.74638 906.21762
3590.0000 -197.32942 -188.28121 9.04821 2.70872 -188.24064 861.40252
3595.0000 -198.42690 -188.32907 10.09783 2.71845 -188.05853 870.25959
3600.0000 -196.90303 -187.75554 9.14749 2.71892 -188.04973 885.63399
3605.0000 -198.74365 -188.88516 9.85849 2.68618 -188.66263 843.09422
3610.0000 -195.62402 -187.50528 8.11875 2.73374 -187.77224 892.19845
3615.0000 -196.27602 -186.54075 9.73527 2.81994 -186.15852 927.06588
3620.0000 -196.26416 -188.06744 8.19672 2.76127 -187.25685 897.55773
3625.0000 -197.04106 -188.39838 8.64268 2.71436 -188.13510 889.17883
3630.0000 -197.90979 -188.08748 9.82231 2.72443 -187.94653 878.89766
3635.0000 -197.21987 -187.36113 9.85873 2.71774 -188.07185 886.57629
3640.0000 -196.79212 -187.77806 9.01406 2.75976 -187.28517 904.97313
3645.0000 -196.52188 -188.05992 8.46195 2.74410 -187.57844 889.17153
3650.0000 -194.74611 -187.35197 7.39415 2.71884 -188.05124 875.03015
3655.0000 -197.69437 -186.60763 11.08674 2.78752 -186.76555 922.97778
3660.0000 -197.96045 -187.65446 10.30599 2.79044 -186.71077 934.34846
3665.0000 -196.68384 -188.53224 8.15160 2.70019 -188.40037 851.37770
3670.0000 -198.89984 -187.80588 11.09396 2.70743 -188.26493 859.28241
3675.0000 -197.91407 -188.40092 9.51315 2.70460 -188.31791 879.76394
3680.0000 -195.34609 -186.70944 8.63665 2.77266 -187.04366 896.62260
3685.0000 -196.65482 -186.53378 10.12104 2.75617 -187.35240 893.08125
3690.0000 -196.71468 -188.45380 8.26088 2.74527 -187.55656 899.28531
3695.0000 -198.50996 -188.17191 10.33805 2.75173 -187.43560 907.53172
3700.0000 -196.61995 -188.24704 8.37292 2.70498 -188.31082 873.83754
3705.0000 -197.31759 -187.03134 10.28625 2.79319 -186.65934 939.01662
3710.0000 -196.99592 -187.17955 9.81637 2.76267 -187.23065 904.17078
3715.0000 -199.98275 -190.46210 9.52065 2.65721 -189.20508 861.24553
3720.0000 -197.88998 -189.11637 8.77361 2.61565 -189.98312 826.26765
3725.0000 -199.22576 -191.48763 7.73813 2.62709 -189.76891 849.36719
3730.0000 -199.47923 -190.70569 8.77354 2.57086 -190.82158 776.89506
3735.0000 -197.71851 -189.27261 8.44590 2.63582 -189.60541 833.49732
3740.0000 -196.90482 -187.23773 9.66708 2.69155 -188.56222 866.11199
3745.0000 -195.42719 -185.56279 9.86440 2.81251 -186.29770 947.67005
3750.0000 -196.42726 -187.29763 9.12963 2.81441 -186.26204 940.75561
FREEZING PROCESS: loop number 16 T-loop= 876.00000000000000
main_MD> interactions number 16 at Temperature= 876.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.40987 0.47480 0.73530
force_rgl> df(natom) 0.42914 1.65976 2.12700
3755.0000 -196.52708 -187.82967 8.69741 2.72576 -187.92166 867.75244
3760.0000 -199.30887 -190.47196 8.83691 2.67406 -188.88949 836.87179
3765.0000 -195.83473 -187.53912 8.29562 2.66108 -189.13261 841.00531
3770.0000 -197.12809 -185.61578 11.51231 2.81497 -186.25162 922.85612
3775.0000 -197.17475 -188.47518 8.69958 2.76499 -187.18736 920.46726
3780.0000 -196.00380 -185.82205 10.18175 2.77101 -187.07453 916.11141
3785.0000 -197.42569 -188.08052 9.34516 2.77196 -187.05684 911.67481
3790.0000 -200.31285 -191.63452 8.67834 2.64227 -189.48463 841.93211
3795.0000 -198.30581 -190.21753 8.08828 2.56832 -190.86916 805.27310
3800.0000 -199.24559 -190.65594 8.58965 2.55747 -191.07225 794.25682
3805.0000 -197.43785 -189.40221 8.03565 2.60513 -190.18006 797.30555
3810.0000 -196.24344 -187.94362 8.29982 2.62753 -189.76058 803.21086
3815.0000 -197.58982 -187.61257 9.97725 2.73906 -187.67266 920.63201
3820.0000 -196.33276 -186.97028 9.36249 2.75226 -187.42568 922.74192
3825.0000 -195.31254 -187.39961 7.91293 2.73593 -187.73132 884.25357
3830.0000 -195.86640 -186.27205 9.59435 2.74119 -187.63281 904.35754
3835.0000 -199.38031 -190.23386 9.14646 2.71196 -188.18014 862.03875
3840.0000 -198.60650 -189.29991 9.30659 2.65539 -189.23903 854.63780
3845.0000 -198.09094 -189.21721 8.87372 2.64235 -189.48315 843.03071
3850.0000 -197.42370 -188.26923 9.15448 2.64812 -189.37523 843.14254
3855.0000 -197.53535 -187.74907 9.78629 2.73927 -187.66879 902.13091
3860.0000 -197.05495 -188.37530 8.67965 2.77030 -187.08786 905.75527
3865.0000 -196.95272 -188.73002 8.22270 2.72208 -187.99068 892.45204
3870.0000 -197.39045 -188.32147 9.06899 2.70794 -188.25537 890.54402
3875.0000 -196.78143 -188.76603 8.01540 2.67233 -188.92196 860.88860
3880.0000 -197.37749 -188.78389 8.59361 2.70481 -188.31397 835.71587
3885.0000 -198.51097 -189.36139 9.14959 2.61720 -189.95402 810.11199
3890.0000 -197.78453 -190.07168 7.71285 2.65575 -189.23228 849.82190
3895.0000 -197.14147 -187.47560 9.66587 2.72159 -187.99975 871.51667
3900.0000 -197.39247 -186.88616 10.50630 2.70788 -188.25639 858.93652
3905.0000 -197.30507 -188.44617 8.85890 2.78925 -186.73311 926.61048
3910.0000 -199.47620 -191.62074 7.85546 2.60145 -190.24893 800.14109
3915.0000 -197.81604 -190.61873 7.19731 2.57762 -190.69506 799.28258
3920.0000 -196.61663 -187.97675 8.63988 2.66825 -188.99831 843.82260
3925.0000 -197.52249 -188.65518 8.86731 2.67390 -188.89249 819.66509
3930.0000 -198.90167 -190.49878 8.40290 2.61111 -190.06801 803.79566
3935.0000 -197.46530 -188.79023 8.67507 2.62876 -189.73761 831.59758
3940.0000 -197.55720 -189.32224 8.23497 2.65367 -189.27125 837.03673
3945.0000 -198.35836 -190.41636 7.94201 2.64084 -189.51144 827.31634
3950.0000 -198.98031 -189.90361 9.07670 2.61675 -189.96239 842.31414
3955.0000 -199.72455 -189.41251 10.31203 2.64028 -189.52193 834.50366
3960.0000 -198.74586 -188.93672 9.80914 2.65026 -189.33519 850.48235
3965.0000 -196.43144 -186.48869 9.94276 2.75426 -187.38812 898.24917
3970.0000 -198.28869 -187.27270 11.01599 2.80060 -186.52062 925.05985
3975.0000 -196.80737 -187.48133 9.32603 2.78434 -186.82511 945.72512
3980.0000 -196.77597 -188.40228 8.37369 2.69791 -188.44307 870.64092
3985.0000 -198.21851 -188.23394 9.98457 2.68840 -188.62117 860.93410
3990.0000 -195.80042 -185.87357 9.92685 2.72716 -187.89554 898.11074
3995.0000 -196.22805 -185.39274 10.83531 2.85336 -185.53295 963.19554
4000.0000 -195.92133 -188.22444 7.69690 2.78411 -186.82940 925.58727
FREEZING PROCESS: loop number 17 T-loop= 851.00000000000000
main_MD> interactions number 17 at Temperature= 851.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31528 -0.99750 -1.39180
force_rgl> df(natom) 0.93802 2.06891 0.04803
4005.0000 -196.77127 -188.41419 8.35708 2.75468 -187.38038 884.94937
4010.0000 -197.87472 -188.84463 9.03010 2.73325 -187.78147 886.23532
4015.0000 -196.63064 -188.77868 7.85197 2.71297 -188.16115 866.92632
4020.0000 -198.71594 -188.75146 9.96448 2.70009 -188.40223 881.14023
4025.0000 -196.03507 -187.01387 9.02120 2.74264 -187.60573 879.70852
4030.0000 -196.40110 -188.02618 8.37492 2.71841 -188.05931 877.33057
4035.0000 -198.28491 -186.90097 11.38395 2.74887 -187.48903 878.00732
4040.0000 -198.33888 -188.83147 9.50740 2.72099 -188.01101 891.17657
4045.0000 -198.64122 -189.64694 8.99428 2.61668 -189.96374 834.79797
4050.0000 -198.63677 -190.76401 7.87276 2.59618 -190.34749 820.42936
4055.0000 -198.96060 -189.83617 9.12443 2.59455 -190.37805 793.64643
4060.0000 -199.06231 -189.86433 9.19799 2.60621 -190.15983 802.06982
4065.0000 -198.06442 -190.13620 7.92822 2.60043 -190.26796 816.03655
4070.0000 -198.50641 -190.58330 7.92311 2.61914 -189.91768 830.93074
4075.0000 -196.73001 -188.98663 7.74338 2.61338 -190.02565 795.19156
4080.0000 -196.08413 -187.08004 9.00409 2.75928 -187.29429 916.37125
4085.0000 -196.57109 -187.67525 8.89583 2.73414 -187.76486 873.81275
4090.0000 -196.47631 -187.15899 9.31733 2.74918 -187.48325 888.46880
4095.0000 -198.56859 -189.23099 9.33760 2.71604 -188.10367 865.82124
4100.0000 -198.52249 -189.11188 9.41061 2.62942 -189.72533 815.41409
4105.0000 -198.73934 -191.18241 7.55693 2.57752 -190.69696 779.30701
4110.0000 -198.73013 -191.15561 7.57452 2.56305 -190.96769 788.34437
4115.0000 -197.98198 -188.98568 8.99630 2.58071 -190.63715 794.22871
4120.0000 -197.13157 -188.84209 8.28947 2.64813 -189.37504 835.97626
4125.0000 -197.18449 -186.73837 10.44612 2.69762 -188.44858 877.50614
4130.0000 -196.94422 -187.96214 8.98208 2.72221 -187.98809 913.59244
4135.0000 -197.26380 -190.48415 6.77966 2.68129 -188.75425 852.27859
4140.0000 -198.95500 -190.80389 8.15111 2.60335 -190.21339 782.99569
4145.0000 -199.42606 -190.61519 8.81087 2.60233 -190.23238 818.86018
4150.0000 -199.95867 -192.14098 7.81768 2.50842 -191.99047 759.43115
4155.0000 -198.19085 -190.35555 7.83529 2.55375 -191.14180 796.80626
4160.0000 -198.02007 -189.57176 8.44831 2.62266 -189.85187 824.11272
4165.0000 -198.68884 -189.43542 9.25342 2.64153 -189.49848 820.88763
4170.0000 -197.11509 -187.62256 9.49253 2.62690 -189.77237 829.01908
4175.0000 -197.01778 -188.28184 8.73594 2.77443 -187.01065 890.11556
4180.0000 -197.14451 -187.08153 10.06297 2.70004 -188.40319 866.40577
4185.0000 -198.43231 -188.40415 10.02817 2.69528 -188.49240 856.31556
4190.0000 -197.18248 -188.82974 8.35274 2.70330 -188.34212 885.16777
4195.0000 -196.54624 -187.29178 9.25447 2.70924 -188.23095 867.97192
4200.0000 -199.44262 -189.51251 9.93012 2.74068 -187.64239 882.85594
4205.0000 -198.95712 -188.97528 9.98184 2.66129 -189.12859 842.68256
4210.0000 -196.54243 -188.24315 8.29928 2.71994 -188.03067 893.70752
4215.0000 -196.68258 -187.59118 9.09140 2.70142 -188.37736 880.12911
4220.0000 -196.25447 -188.04324 8.21122 2.73006 -187.84131 896.85506
4225.0000 -197.16967 -188.30140 8.86827 2.73664 -187.71807 896.98013
4230.0000 -198.41824 -188.78800 9.63025 2.71498 -188.12357 885.18343
4235.0000 -198.19645 -190.29287 7.90358 2.66017 -189.14966 847.17225
4240.0000 -197.54823 -189.01968 8.52855 2.63936 -189.53918 841.13011
4245.0000 -197.07425 -188.12429 8.94996 2.71399 -188.14201 883.70632
4250.0000 -197.66291 -187.92348 9.73943 2.70752 -188.26313 868.17635
FREEZING PROCESS: loop number 18 T-loop= 826.00000000000000
main_MD> interactions number 18 at Temperature= 826.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70486 -2.39589 0.22480
force_rgl> df(natom) -0.06276 7.17525 0.66188
4255.0000 -197.82663 -189.76708 8.05955 2.71091 -188.19963 870.24075
4260.0000 -196.48820 -188.26227 8.22593 2.71465 -188.12970 891.09316
4265.0000 -196.82422 -188.55164 8.27258 2.66998 -188.96604 837.50334
4270.0000 -197.77440 -189.86564 7.90876 2.64613 -189.41253 799.31666
4275.0000 -199.55568 -189.74976 9.80592 2.57568 -190.73131 804.60872
4280.0000 -198.09642 -189.18818 8.90824 2.63645 -189.59359 834.61804
4285.0000 -198.71639 -190.62672 8.08967 2.59377 -190.39263 800.08856
4290.0000 -196.90553 -189.43407 7.47146 2.58926 -190.47705 786.05921
4295.0000 -196.78921 -188.90665 7.88256 2.69491 -188.49933 884.84879
4300.0000 -199.84696 -191.41815 8.42882 2.59317 -190.40392 794.11501
4305.0000 -197.71841 -189.76413 7.95429 2.57550 -190.73475 793.76725
4310.0000 -199.59864 -191.13189 8.46675 2.58685 -190.52218 792.63534
4315.0000 -197.31737 -188.62926 8.68810 2.59595 -190.35182 796.70374
4320.0000 -198.84694 -189.61158 9.23536 2.66681 -189.02535 827.94406
4325.0000 -196.70879 -187.46061 9.24818 2.68552 -188.67509 824.28866
4330.0000 -197.73813 -188.39086 9.34727 2.71868 -188.05426 898.65485
4335.0000 -197.31714 -187.92063 9.39651 2.69612 -188.47656 894.57548
4340.0000 -197.29097 -186.72974 10.56122 2.71325 -188.15595 887.23022
4345.0000 -197.21397 -187.92841 9.28556 2.75217 -187.42728 916.80669
4350.0000 -199.30233 -189.18980 10.11254 2.67874 -188.80201 857.21863
4355.0000 -198.30975 -190.25909 8.05066 2.69107 -188.57112 858.82943
4360.0000 -200.09790 -192.88550 7.21240 2.55176 -191.17914 775.46672
4365.0000 -200.22479 -192.30053 7.92426 2.47791 -192.56175 741.87351
4370.0000 -200.12477 -192.62512 7.49965 2.48193 -192.48649 752.13219
4375.0000 -199.94812 -192.95277 6.99535 2.46768 -192.75318 725.45099
4380.0000 -199.54359 -191.13336 8.41022 2.52014 -191.77103 742.36729
4385.0000 -199.36451 -190.63279 8.73172 2.59175 -190.43057 797.41040
4390.0000 -198.49493 -190.24867 8.24625 2.57089 -190.82100 787.08689
4395.0000 -199.06100 -189.78479 9.27621 2.60482 -190.18572 797.09824
4400.0000 -198.99965 -191.29140 7.70825 2.60445 -190.19273 796.81189
4405.0000 -198.43390 -188.58757 9.84633 2.63459 -189.62842 845.65819
4410.0000 -198.21914 -188.26963 9.94951 2.69822 -188.43735 875.45803
4415.0000 -198.05000 -189.33037 8.71963 2.68635 -188.65950 864.36192
4420.0000 -198.94102 -189.78054 9.16047 2.61533 -189.98897 832.85366
4425.0000 -199.27909 -190.55415 8.72494 2.57085 -190.82173 791.46740
4430.0000 -200.69996 -191.54193 9.15803 2.57312 -190.77930 798.97452
4435.0000 -199.28557 -190.18568 9.09989 2.59953 -190.28492 800.10458
4440.0000 -198.11796 -190.04719 8.07077 2.62663 -189.77745 814.92374
4445.0000 -198.34456 -189.26845 9.07611 2.59943 -190.28677 799.78454
4450.0000 -198.88112 -191.17450 7.70662 2.58394 -190.57676 811.01195
4455.0000 -197.71385 -188.48652 9.22734 2.64144 -189.50030 842.60425
4460.0000 -198.63968 -189.77037 8.86931 2.65433 -189.25885 839.92828
4465.0000 -199.25474 -190.91367 8.34108 2.58732 -190.51333 776.74607
4470.0000 -199.38254 -190.17145 9.21109 2.62347 -189.83661 837.41566
4475.0000 -197.12084 -188.39304 8.72780 2.65250 -189.29319 824.91493
4480.0000 -197.13767 -187.83026 9.30741 2.69899 -188.42284 847.95212
4485.0000 -198.69762 -190.29095 8.40668 2.64039 -189.51994 849.58454
4490.0000 -198.63752 -190.15384 8.48368 2.59293 -190.40838 792.50212
4495.0000 -197.97299 -189.45962 8.51337 2.67564 -188.86002 870.63461
4500.0000 -197.04025 -190.84218 6.19807 2.59387 -190.39075 790.55546
FREEZING PROCESS: loop number 19 T-loop= 801.00000000000000
main_MD> interactions number 19 at Temperature= 801.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74355 1.78104 0.83218
force_rgl> df(natom) -0.53520 3.38173 -4.28319
4505.0000 -199.92191 -192.12809 7.79382 2.52292 -191.71899 760.91875
4510.0000 -199.29693 -191.45753 7.83940 2.51568 -191.85457 746.01383
4515.0000 -199.43482 -191.44460 7.99022 2.55198 -191.17505 766.15179
4520.0000 -198.30506 -190.17342 8.13164 2.58947 -190.47314 822.16188
4525.0000 -199.64404 -189.55773 10.08631 2.67076 -188.95133 851.90622
4530.0000 -198.06822 -190.29284 7.77538 2.64085 -189.51125 811.35116
4535.0000 -199.34302 -190.46481 8.87821 2.59339 -190.39987 799.06882
4540.0000 -198.17704 -189.82009 8.35695 2.56625 -190.90795 767.89358
4545.0000 -198.46922 -190.35175 8.11747 2.60075 -190.26195 774.98439
4550.0000 -196.48573 -189.18476 7.30097 2.63880 -189.54963 838.33384
4555.0000 -195.61144 -187.26670 8.34473 2.66202 -189.11489 813.89658
4560.0000 -196.97457 -188.56602 8.40855 2.69985 -188.40677 854.34432
4565.0000 -199.23629 -190.62122 8.61507 2.62583 -189.79244 825.52102
4570.0000 -198.52633 -190.38928 8.13704 2.59050 -190.45383 792.32995
4575.0000 -198.45671 -190.11004 8.34668 2.65339 -189.27649 852.66436
4580.0000 -198.47098 -190.46820 8.00279 2.59082 -190.44791 805.81284
4585.0000 -199.12156 -191.20704 7.91452 2.53071 -191.57317 752.05872
4590.0000 -199.46090 -191.18890 8.27200 2.53953 -191.40814 755.77776
4595.0000 -200.67122 -191.90220 8.76902 2.52433 -191.69262 745.38105
4600.0000 -199.37990 -191.86432 7.51557 2.53159 -191.55681 755.58940
4605.0000 -200.15024 -192.90504 7.24520 2.49441 -192.25282 739.36071
4610.0000 -199.11224 -190.64093 8.47131 2.52031 -191.76797 768.35910
4615.0000 -199.28198 -190.38185 8.90013 2.60855 -190.11597 800.54829
4620.0000 -199.89712 -190.03907 9.85805 2.64087 -189.51098 848.64201
4625.0000 -199.38936 -190.87802 8.51134 2.54979 -191.21593 780.13419
4630.0000 -199.17173 -191.25500 7.91673 2.56673 -190.89888 798.75339
4635.0000 -201.19532 -192.34635 8.84897 2.50025 -192.14352 750.50647
4640.0000 -197.65617 -190.21547 7.44070 2.54184 -191.36492 774.90945
4645.0000 -199.02431 -189.70302 9.32129 2.63513 -189.61830 821.36993
4650.0000 -197.57439 -190.26142 7.31297 2.64259 -189.47875 799.27236
4655.0000 -198.91563 -189.60301 9.31261 2.63107 -189.69435 808.23834
4660.0000 -198.68898 -191.05800 7.63098 2.59053 -190.45324 795.17093
4665.0000 -198.98082 -190.61850 8.36232 2.58833 -190.49458 792.71043
4670.0000 -199.56245 -190.73610 8.82635 2.60161 -190.24596 813.08943
4675.0000 -198.57936 -191.29372 7.28564 2.58851 -190.49114 815.59538
4680.0000 -199.66964 -191.30715 8.36250 2.54691 -191.27000 776.50112
4685.0000 -197.98561 -189.96010 8.02551 2.58565 -190.54477 765.01709
4690.0000 -199.46607 -190.20780 9.25827 2.55709 -191.07930 766.89257
4695.0000 -199.04189 -190.95487 8.08702 2.58771 -190.50614 788.72076
4700.0000 -198.12396 -190.51323 7.61073 2.55873 -191.04872 777.74490
4705.0000 -197.87103 -190.07079 7.80024 2.57838 -190.68072 789.06934
4710.0000 -198.31674 -190.35521 7.96153 2.58423 -190.57121 803.29190
4715.0000 -199.47507 -189.88096 9.59411 2.59935 -190.28823 816.12351
4720.0000 -196.91177 -188.75809 8.15368 2.67263 -188.91628 865.09881
4725.0000 -196.84909 -189.39726 7.45183 2.67018 -188.96225 832.19427
4730.0000 -197.27400 -186.37441 10.89959 2.70537 -188.30343 853.49813
4735.0000 -195.82244 -186.98739 8.83506 2.77201 -187.05597 898.28939
4740.0000 -198.84536 -189.93823 8.90713 2.68365 -188.70999 847.55902
4745.0000 -200.07052 -191.17035 8.90017 2.59616 -190.34793 797.77943
4750.0000 -200.53266 -191.68004 8.85262 2.52858 -191.61302 765.35141
FREEZING PROCESS: loop number 20 T-loop= 776.00000000000000
main_MD> interactions number 20 at Temperature= 776.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.55473 0.31840 2.39865
force_rgl> df(natom) 2.43023 -0.39503 -0.08261
4755.0000 -200.43942 -191.77132 8.66811 2.53964 -191.40595 746.21261
4760.0000 -200.97437 -193.23034 7.74403 2.48154 -192.49367 740.99508
4765.0000 -200.45950 -192.01449 8.44501 2.48286 -192.46891 740.47595
4770.0000 -200.12212 -192.42792 7.69420 2.53780 -191.44042 771.71095
4775.0000 -199.78020 -191.32730 8.45290 2.52521 -191.67617 748.55238
4780.0000 -198.90088 -190.87776 8.02312 2.54612 -191.28465 786.02293
4785.0000 -198.11426 -191.01391 7.10035 2.58180 -190.61668 797.93034
4790.0000 -198.51978 -190.93457 7.58521 2.61638 -189.96948 802.98563
4795.0000 -199.00429 -190.39884 8.60545 2.57036 -190.83092 764.28158
4800.0000 -199.50671 -191.35003 8.15668 2.56329 -190.96337 788.86926
4805.0000 -199.23719 -192.59342 6.64377 2.48225 -192.48036 733.85580
4810.0000 -199.55580 -191.03215 8.52364 2.52056 -191.76316 758.26501
4815.0000 -199.60443 -192.13472 7.46971 2.49375 -192.26507 747.40449
4820.0000 -199.99712 -192.14115 7.85597 2.47536 -192.60936 717.42397
4825.0000 -200.27457 -191.95514 8.31944 2.49847 -192.17674 728.44388
4830.0000 -199.95656 -193.12811 6.82846 2.47870 -192.54678 735.04732
4835.0000 -198.58974 -190.92229 7.66744 2.51207 -191.92209 753.14552
4840.0000 -198.67796 -191.24788 7.43008 2.55255 -191.16433 759.25102
4845.0000 -197.76086 -189.44092 8.31994 2.58869 -190.48776 810.05708
4850.0000 -199.56255 -190.45922 9.10334 2.60866 -190.11392 822.50801
4855.0000 -199.03964 -190.60072 8.43892 2.56364 -190.95677 774.09182
4860.0000 -200.56395 -192.32013 8.24383 2.52064 -191.76173 771.20545
4865.0000 -200.92953 -193.72264 7.20689 2.52291 -191.71917 780.70127
4870.0000 -200.71737 -193.56905 7.14832 2.43764 -193.31557 686.68798
4875.0000 -199.33501 -191.60996 7.72505 2.54380 -191.32812 761.55227
4880.0000 -200.61937 -191.82842 8.79095 2.53655 -191.46384 751.96386
4885.0000 -199.73586 -191.12233 8.61353 2.56607 -190.91122 801.95351
4890.0000 -200.10856 -191.39950 8.70906 2.55894 -191.04464 802.25131
4895.0000 -199.08101 -191.44598 7.63503 2.53589 -191.47615 747.80249
4900.0000 -198.48277 -189.62786 8.85491 2.58799 -190.50096 798.88085
4905.0000 -198.68068 -190.77980 7.90088 2.62182 -189.86751 840.09148
4910.0000 -199.66587 -190.56456 9.10131 2.57269 -190.78738 798.09623
4915.0000 -200.51520 -191.83711 8.67809 2.57250 -190.79094 795.92279
4920.0000 -198.15762 -191.54145 6.61617 2.52892 -191.60669 746.08263
4925.0000 -199.66416 -191.36082 8.30334 2.54074 -191.38550 759.90199
4930.0000 -200.62740 -192.92199 7.70542 2.52971 -191.59194 777.58131
4935.0000 -198.44442 -191.80255 6.64187 2.50054 -192.13797 739.79468
4940.0000 -198.07581 -190.78953 7.28628 2.54464 -191.31237 765.72403
4945.0000 -196.92386 -189.98289 6.94098 2.58839 -190.49342 781.79535
4950.0000 -198.59369 -189.88302 8.71067 2.58338 -190.58718 777.51876
4955.0000 -198.10120 -189.21108 8.89012 2.60064 -190.26401 785.47220
4960.0000 -196.98200 -187.80726 9.17474 2.68149 -188.75045 846.31135
4965.0000 -199.38284 -190.36304 9.01980 2.70102 -188.38486 840.80663
4970.0000 -199.63854 -189.38844 10.25010 2.57078 -190.82306 788.89003
4975.0000 -197.39045 -189.87939 7.51106 2.60382 -190.20448 811.78883
4980.0000 -201.19622 -192.03801 9.15821 2.55060 -191.20092 789.10997
4985.0000 -199.76092 -190.43295 9.32797 2.55853 -191.05238 777.56344
4990.0000 -199.98335 -193.45908 6.52426 2.50022 -192.14397 753.09840
4995.0000 -200.96328 -192.58504 8.37824 2.48023 -192.51828 740.92344
5000.0000 -198.69939 -191.39832 7.30107 2.50583 -192.03890 744.18886
FREEZING PROCESS: loop number 21 T-loop= 751.00000000000000
main_MD> interactions number 21 at Temperature= 751.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.71212 0.66744 1.10120
force_rgl> df(natom) 2.94966 1.50657 1.59766
5005.0000 -199.83733 -192.32896 7.50837 2.53978 -191.40347 767.17759
5010.0000 -199.51794 -192.55491 6.96303 2.43875 -193.29471 727.22051
5015.0000 -199.56665 -191.73741 7.82924 2.50363 -192.08014 735.26062
5020.0000 -199.56819 -190.87769 8.69049 2.52346 -191.70883 762.15526
5025.0000 -199.31081 -190.97098 8.33983 2.58275 -190.59896 766.55584
5030.0000 -199.18901 -191.29245 7.89656 2.53645 -191.46583 754.08605
5035.0000 -200.31542 -190.87586 9.43956 2.53935 -191.41154 761.15573
5040.0000 -199.60715 -191.37477 8.23238 2.59409 -190.38674 813.68924
5045.0000 -200.24813 -192.10633 8.14180 2.49744 -192.19609 727.98887
5050.0000 -199.35949 -190.54842 8.81107 2.56609 -190.91088 783.72282
5055.0000 -199.89723 -191.33874 8.55849 2.57786 -190.69048 805.54684
5060.0000 -199.28610 -191.89039 7.39571 2.50355 -192.08162 753.54589
5065.0000 -199.12768 -191.19862 7.92906 2.54077 -191.38495 767.38818
5070.0000 -199.11699 -189.80631 9.31068 2.61255 -190.04106 826.94737
5075.0000 -199.35496 -191.82204 7.53292 2.58934 -190.47562 802.20693
5080.0000 -199.09245 -190.33954 8.75291 2.58268 -190.60032 776.24969
5085.0000 -199.30473 -191.34287 7.96186 2.53799 -191.43685 758.22420
5090.0000 -200.50008 -192.31520 8.18487 2.52111 -191.75283 771.31545
5095.0000 -199.17663 -192.59354 6.58308 2.47049 -192.70052 707.71915
5100.0000 -199.72273 -192.01423 7.70850 2.47679 -192.58267 716.65349
5105.0000 -197.60499 -190.23412 7.37087 2.56253 -190.97745 789.69649
5110.0000 -199.54643 -191.60374 7.94269 2.60804 -190.12544 822.70300
5115.0000 -198.57901 -190.63445 7.94457 2.48810 -192.37086 739.08047
5120.0000 -199.86220 -191.40084 8.46136 2.56070 -191.01169 785.59581
5125.0000 -200.51595 -192.06114 8.45481 2.52421 -191.69496 752.03078
5130.0000 -201.25155 -193.83268 7.41887 2.44866 -193.10926 717.32265
5135.0000 -200.57368 -193.77953 6.79415 2.42145 -193.61862 679.86704
5140.0000 -201.10001 -192.51549 8.58452 2.45777 -192.93876 703.63613
5145.0000 -200.55480 -190.12943 10.42536 2.52766 -191.63023 770.89044
5150.0000 -201.11406 -193.42555 7.68851 2.49713 -192.20186 759.96337
5155.0000 -199.89614 -192.67716 7.21898 2.46240 -192.85204 726.04313
5160.0000 -200.55089 -193.22013 7.33076 2.43834 -193.30245 715.67240
5165.0000 -199.44503 -191.88860 7.55643 2.50368 -192.07927 739.08788
5170.0000 -200.53701 -192.20901 8.32801 2.45742 -192.94522 726.94391
5175.0000 -198.95952 -190.38209 8.57742 2.50384 -192.07624 740.35900
5180.0000 -199.75601 -191.45976 8.29625 2.56597 -190.91311 770.43280
5185.0000 -198.82061 -190.81206 8.00855 2.55900 -191.04364 758.51990
5190.0000 -197.75679 -190.69481 7.06198 2.60627 -190.15857 820.17377
5195.0000 -200.93302 -193.40888 7.52414 2.50544 -192.04625 750.78781
5200.0000 -200.17150 -192.89434 7.27716 2.44332 -193.20922 714.64085
5205.0000 -199.40078 -190.95263 8.44816 2.52579 -191.66537 771.67979
5210.0000 -199.71441 -191.52124 8.19317 2.55729 -191.07560 765.20682
5215.0000 -198.69909 -190.06836 8.63073 2.54575 -191.29170 766.27532
5220.0000 -199.41579 -191.01101 8.40478 2.55546 -191.10985 772.01503
5225.0000 -198.63037 -190.03477 8.59561 2.57897 -190.66971 791.76837
5230.0000 -199.76230 -192.32542 7.43688 2.52049 -191.76459 756.62323
5235.0000 -200.07329 -190.39507 9.67822 2.54380 -191.32810 773.63763
5240.0000 -199.55605 -191.62259 7.93346 2.54471 -191.31120 776.23457
5245.0000 -199.16503 -191.89702 7.26800 2.49435 -192.25382 754.72699
5250.0000 -199.89859 -192.36677 7.53182 2.47709 -192.57704 712.45129
FREEZING PROCESS: loop number 22 T-loop= 726.00000000000000
main_MD> interactions number 22 at Temperature= 726.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53764 -0.39594 0.06678
force_rgl> df(natom) 0.62673 -0.13475 -2.35306
5255.0000 -200.63505 -192.27010 8.36495 2.47812 -192.55775 717.07602
5260.0000 -199.74645 -191.81728 7.92917 2.49989 -192.15013 738.58462
5265.0000 -198.91293 -190.38102 8.53191 2.50132 -192.12331 762.38875
5270.0000 -198.92610 -190.69009 8.23602 2.58967 -190.46939 805.35494
5275.0000 -200.13661 -191.52245 8.61416 2.55140 -191.18594 780.08753
5280.0000 -200.08995 -192.39840 7.69155 2.51996 -191.77447 752.31055
5285.0000 -199.69381 -192.58788 7.10593 2.52339 -191.71017 760.43713
5290.0000 -200.26017 -193.14956 7.11061 2.42924 -193.47276 702.66474
5295.0000 -200.39749 -191.72760 8.66989 2.49624 -192.21852 750.57076
5300.0000 -199.24463 -190.67262 8.57200 2.52558 -191.66921 762.60480
5305.0000 -201.37260 -193.67849 7.69410 2.48358 -192.45554 726.72085
5310.0000 -199.01900 -193.41554 5.60346 2.38814 -194.24225 643.47786
5315.0000 -201.22150 -193.08486 8.13663 2.44988 -193.08633 706.90717
5320.0000 -202.37945 -194.35661 8.02284 2.44332 -193.20927 713.54297
5325.0000 -201.93098 -193.64865 8.28233 2.40440 -193.93783 690.67260
5330.0000 -201.12644 -192.32698 8.79945 2.50326 -192.08710 741.71894
5335.0000 -199.67507 -192.33266 7.34241 2.47235 -192.66577 738.12362
5340.0000 -200.60209 -193.04670 7.55538 2.47348 -192.64461 716.97329
5345.0000 -201.25903 -192.73803 8.52100 2.45411 -193.00722 734.71324
5350.0000 -198.98297 -190.51374 8.46923 2.53472 -191.49816 781.14775
5355.0000 -200.32692 -192.30704 8.01988 2.53069 -191.57352 756.53475
5360.0000 -201.87645 -194.10794 7.76851 2.45205 -193.04575 726.04931
5365.0000 -201.96029 -194.17523 7.78506 2.37355 -194.51539 663.35584
5370.0000 -201.84003 -193.59984 8.24019 2.43239 -193.41392 713.76462
5375.0000 -200.81030 -192.63271 8.17759 2.47223 -192.66807 723.49223
5380.0000 -201.09568 -193.22432 7.87136 2.44192 -193.23549 716.32413
5385.0000 -201.06200 -194.08669 6.97530 2.39931 -194.03313 670.90328
5390.0000 -200.61369 -193.52622 7.08747 2.37081 -194.56657 673.22484
5395.0000 -200.95704 -193.78779 7.16925 2.42798 -193.49647 714.23809
5400.0000 -200.85642 -193.96976 6.88666 2.40051 -194.01070 681.89349
5405.0000 -200.24922 -193.80119 6.44804 2.42162 -193.61549 699.09614
5410.0000 -199.43230 -191.46884 7.96347 2.47661 -192.58607 723.95263
5415.0000 -200.06454 -192.22084 7.84370 2.53313 -191.52790 743.34508
5420.0000 -199.34735 -191.40786 7.93948 2.49349 -192.27003 707.47452
5425.0000 -199.58724 -190.84994 8.73729 2.57994 -190.65157 778.38339
5430.0000 -200.62240 -192.77238 7.85002 2.49796 -192.18622 746.93098
5435.0000 -200.86890 -194.07359 6.79530 2.46725 -192.76117 736.80919
5440.0000 -200.54601 -193.54031 7.00570 2.44318 -193.21185 703.07955
5445.0000 -200.18722 -191.82097 8.36625 2.49361 -192.26776 722.40502
5450.0000 -201.37825 -193.82682 7.55143 2.43750 -193.31820 688.00980
5455.0000 -200.46457 -193.90579 6.55878 2.41822 -193.67912 668.58034
5460.0000 -199.76302 -192.37726 7.38576 2.43091 -193.44148 698.25655
5465.0000 -198.90136 -190.92238 7.97898 2.52946 -191.59663 744.69747
5470.0000 -202.10866 -194.75084 7.35782 2.47953 -192.53129 713.51218
5475.0000 -198.06156 -191.35547 6.70608 2.47496 -192.61697 742.15339
5480.0000 -199.23234 -191.74617 7.48617 2.56043 -191.01689 775.67748
5485.0000 -198.66752 -191.03859 7.62892 2.55224 -191.17022 765.97995
5490.0000 -197.43391 -190.01744 7.41647 2.59199 -190.42604 783.90545
5495.0000 -200.42023 -192.50740 7.91282 2.51143 -191.93405 733.43815
5500.0000 -199.21905 -191.34292 7.87613 2.51144 -191.93396 744.80075
FREEZING PROCESS: loop number 23 T-loop= 701.00000000000000
main_MD> interactions number 23 at Temperature= 701.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02916 -1.66848 0.41073
force_rgl> df(natom) -1.67748 0.07283 1.73054
5505.0000 -200.03191 -192.98869 7.04323 2.48805 -192.37184 730.86439
5510.0000 -200.16032 -192.47732 7.68299 2.46241 -192.85191 719.10906
5515.0000 -200.32143 -193.53082 6.79061 2.48105 -192.50287 703.71370
5520.0000 -200.33173 -192.27649 8.05524 2.44640 -193.15155 707.25301
5525.0000 -199.83525 -193.86843 5.96682 2.50054 -192.13791 726.89090
5530.0000 -200.23249 -193.06357 7.16892 2.40695 -193.89014 680.35965
5535.0000 -198.87857 -192.00067 6.87791 2.48515 -192.42611 744.11952
5540.0000 -199.51736 -191.36491 8.15245 2.53048 -191.57745 767.85327
5545.0000 -200.64793 -193.66781 6.98012 2.44192 -193.23547 700.43410
5550.0000 -201.09933 -193.52628 7.57305 2.42288 -193.59184 696.00002
5555.0000 -200.89616 -194.30215 6.59400 2.42053 -193.63580 717.49481
5560.0000 -199.95372 -192.56932 7.38440 2.38508 -194.29946 654.58871
5565.0000 -200.48782 -192.20660 8.28122 2.49058 -192.32444 735.58732
5570.0000 -199.34368 -192.18828 7.15540 2.51012 -191.95862 754.81534
5575.0000 -199.41164 -192.27292 7.13872 2.49781 -192.18906 731.26579
5580.0000 -201.03250 -193.22291 7.80959 2.51093 -191.94352 754.22483
5585.0000 -200.71306 -193.56080 7.15227 2.43934 -193.28378 734.97741
5590.0000 -202.62139 -193.97774 8.64365 2.41931 -193.65875 706.30308
5595.0000 -201.12389 -194.57187 6.55202 2.41192 -193.79713 707.17135
5600.0000 -200.91328 -193.25197 7.66131 2.40161 -193.98999 708.97190
5605.0000 -200.12251 -193.62746 6.49505 2.44448 -193.18751 699.56808
5610.0000 -200.03287 -192.79919 7.23368 2.42332 -193.58370 707.78925
5615.0000 -202.05745 -195.94338 6.11407 2.35792 -194.80794 669.72298
5620.0000 -201.76045 -194.50004 7.26041 2.31041 -195.69744 631.33038
5625.0000 -200.78171 -194.14135 6.64037 2.35126 -194.93264 649.31559
5630.0000 -200.83458 -194.10554 6.72904 2.40373 -193.95035 682.09358
5635.0000 -200.32216 -193.68543 6.63674 2.43549 -193.35588 694.05552
5640.0000 -200.48135 -193.51963 6.96172 2.42188 -193.61060 687.16229
5645.0000 -200.78165 -194.47852 6.30313 2.38902 -194.22566 671.95576
5650.0000 -201.78965 -193.84189 7.94776 2.39558 -194.10287 691.31786
5655.0000 -200.60046 -192.38815 8.21231 2.47649 -192.58831 721.06107
5660.0000 -200.21850 -192.04205 8.17645 2.46776 -192.75161 737.78106
5665.0000 -199.91388 -191.99676 7.91712 2.51237 -191.91652 740.44778
5670.0000 -201.11792 -193.28591 7.83201 2.43351 -193.39278 719.89769
5675.0000 -201.91783 -193.58125 8.33658 2.39103 -194.18807 690.83645
5680.0000 -201.43799 -194.64770 6.79029 2.36448 -194.68517 661.52505
5685.0000 -200.73264 -193.68383 7.04881 2.35816 -194.80338 657.30748
5690.0000 -200.97375 -193.29971 7.67404 2.41125 -193.80957 691.17219
5695.0000 -201.36778 -193.64087 7.72690 2.42718 -193.51132 711.44423
5700.0000 -201.31244 -195.48651 5.82594 2.38644 -194.27408 652.41481
5705.0000 -201.60326 -194.87773 6.72553 2.34519 -195.04630 620.72261
5710.0000 -201.93074 -194.72583 7.20491 2.39685 -194.07923 652.67010
5715.0000 -202.55142 -195.57571 6.97571 2.36166 -194.73802 663.74687
5720.0000 -201.27280 -194.20518 7.06762 2.38659 -194.27130 679.05624
5725.0000 -201.83104 -194.75627 7.07477 2.39623 -194.09073 671.64088
5730.0000 -201.01357 -193.53209 7.48149 2.38127 -194.37086 673.39774
5735.0000 -200.64461 -192.02130 8.62331 2.45165 -193.05332 727.13754
5740.0000 -201.32549 -193.84945 7.47604 2.43111 -193.43773 722.53195
5745.0000 -200.87516 -192.82653 8.04864 2.45417 -193.00616 732.57857
5750.0000 -201.23901 -194.26109 6.97793 2.43471 -193.37035 715.24246
FREEZING PROCESS: loop number 24 T-loop= 676.00000000000000
main_MD> interactions number 24 at Temperature= 676.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57757 -1.71234 1.52555
force_rgl> df(natom) 1.55386 -1.31478 -0.22529
5755.0000 -200.87788 -193.78648 7.09140 2.41579 -193.72458 703.58005
5760.0000 -203.41095 -196.26470 7.14625 2.33176 -195.29764 653.96631
5765.0000 -203.90651 -197.23566 6.67085 2.26406 -196.56517 612.84228
5770.0000 -203.62148 -198.38403 5.23744 2.19924 -197.77864 568.10162
5775.0000 -202.29864 -196.41615 5.88249 2.24807 -196.86451 581.51286
5780.0000 -201.80223 -194.83761 6.96463 2.32360 -195.45042 634.73924
5785.0000 -202.14020 -194.37353 7.76667 2.37955 -194.40308 676.74736
5790.0000 -200.29015 -192.77109 7.51906 2.40609 -193.90617 671.59100
5795.0000 -201.52333 -194.02683 7.49651 2.43586 -193.34884 702.65215
5800.0000 -201.07865 -193.66177 7.41688 2.41904 -193.66365 706.62962
5805.0000 -200.92632 -194.01917 6.90715 2.38594 -194.28348 656.60196
5810.0000 -202.93701 -196.40854 6.52847 2.35448 -194.87235 664.20007
5815.0000 -201.54713 -195.91993 5.62720 2.27684 -196.32585 605.24697
5820.0000 -201.87062 -195.87494 5.99568 2.29372 -196.00982 598.07939
5825.0000 -200.96536 -194.78119 6.18418 2.37751 -194.44128 634.45679
5830.0000 -201.84105 -194.06795 7.77310 2.34551 -195.04026 639.57673
5835.0000 -200.46197 -193.48179 6.98018 2.38799 -194.24507 692.02984
5840.0000 -201.32896 -194.02333 7.30563 2.40377 -193.94957 676.97869
5845.0000 -201.79569 -194.75948 7.03622 2.37633 -194.46338 654.42038
5850.0000 -202.17619 -194.70028 7.47591 2.35109 -194.93580 655.47844
5855.0000 -202.24850 -194.79216 7.45634 2.36069 -194.75606 646.82758
5860.0000 -201.89185 -194.29015 7.60169 2.40653 -193.89785 686.21434
5865.0000 -201.79739 -194.54512 7.25227 2.34836 -194.98689 644.23573
5870.0000 -201.75254 -195.29492 6.45762 2.33779 -195.18477 645.06757
5875.0000 -201.47049 -195.75249 5.71800 2.35075 -194.94215 653.35577
5880.0000 -200.18239 -193.99463 6.18776 2.37703 -194.45030 665.41629
5885.0000 -200.43673 -192.54622 7.89051 2.39758 -194.06546 665.89576
5890.0000 -201.94001 -194.30898 7.63103 2.43915 -193.28724 719.57315
5895.0000 -200.64465 -193.93268 6.71197 2.39488 -194.11611 685.78525
5900.0000 -201.95264 -194.39315 7.55948 2.38568 -194.28829 654.39026
5905.0000 -201.36563 -193.44625 7.91938 2.39623 -194.09074 671.70862
5910.0000 -202.37430 -196.12409 6.25021 2.36887 -194.60295 650.04191
5915.0000 -202.76900 -195.98456 6.78444 2.30830 -195.73688 642.93792
5920.0000 -202.01932 -195.89357 6.12574 2.28697 -196.13617 624.86602
5925.0000 -200.33906 -193.85752 6.48154 2.33172 -195.29839 656.42642
5930.0000 -201.56880 -193.88187 7.68693 2.37901 -194.41306 682.58234
5935.0000 -201.41982 -194.71368 6.70615 2.37931 -194.40761 668.55834
5940.0000 -199.51425 -192.98634 6.52792 2.37411 -194.50495 659.27550
5945.0000 -200.63123 -194.72631 5.90492 2.41064 -193.82106 696.50421
5950.0000 -200.83246 -193.02794 7.80452 2.42235 -193.60183 709.53232
5955.0000 -200.78983 -192.68055 8.10928 2.47551 -192.60653 742.82917
5960.0000 -200.30515 -192.87119 7.43396 2.49088 -192.31879 749.04169
5965.0000 -199.68099 -193.35848 6.32251 2.45711 -192.95101 694.98210
5970.0000 -201.18090 -193.40558 7.77532 2.42726 -193.50984 684.35439
5975.0000 -201.20036 -194.69815 6.50220 2.41134 -193.80791 676.77417
5980.0000 -200.82491 -193.95665 6.86826 2.38446 -194.31120 664.56963
5985.0000 -200.91720 -193.97415 6.94305 2.38381 -194.32323 674.60320
5990.0000 -201.73712 -194.17394 7.56319 2.37029 -194.57632 647.27719
5995.0000 -201.73416 -194.24845 7.48571 2.42270 -193.59514 695.95118
6000.0000 -201.57891 -195.06315 6.51576 2.34763 -195.00053 659.02244
FREEZING PROCESS: loop number 25 T-loop= 651.00000000000000
main_MD> interactions number 25 at Temperature= 651.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15100 -1.02033 3.89699
force_rgl> df(natom) 0.49278 7.76516 2.53061
6005.0000 -202.83010 -196.94676 5.88334 2.28052 -196.25693 598.63412
6010.0000 -201.05120 -195.12041 5.93079 2.32162 -195.48756 636.52738
6015.0000 -200.34796 -193.51219 6.83577 2.35671 -194.83066 654.74588
6020.0000 -200.00891 -192.49440 7.51451 2.43082 -193.44331 677.53709
6025.0000 -201.09125 -194.12300 6.96825 2.45254 -193.03668 729.42131
6030.0000 -202.87782 -196.35224 6.52558 2.32620 -195.40171 648.33302
6035.0000 -201.46040 -194.65378 6.80662 2.29950 -195.90170 629.36171
6040.0000 -202.40381 -195.54303 6.86079 2.33469 -195.24292 659.48706
6045.0000 -201.85540 -195.70546 6.14994 2.32841 -195.36038 628.39493
6050.0000 -201.01505 -194.07500 6.94004 2.35605 -194.84290 648.75312
6055.0000 -201.45491 -195.30795 6.14696 2.36147 -194.74143 661.68256
6060.0000 -201.78001 -195.51679 6.26322 2.34837 -194.98674 639.80357
6065.0000 -200.44287 -194.02250 6.42037 2.37198 -194.54478 653.06669
6070.0000 -201.05004 -194.90555 6.14449 2.35870 -194.79341 635.11737
6075.0000 -202.22784 -194.46491 7.76293 2.36505 -194.67441 656.06206
6080.0000 -200.75679 -194.91474 5.84205 2.32527 -195.41922 639.34828
6085.0000 -201.83147 -195.49961 6.33186 2.34770 -194.99923 648.56370
6090.0000 -203.31707 -196.77659 6.54048 2.30177 -195.85917 616.90360
6095.0000 -201.75545 -195.48613 6.26933 2.28855 -196.10654 618.57666
6100.0000 -203.38289 -196.70515 6.67774 2.31476 -195.61597 628.47382
6105.0000 -203.30246 -194.80811 8.49435 2.30915 -195.72105 605.40233
6110.0000 -201.88287 -194.12597 7.75690 2.39441 -194.12487 666.52476
6115.0000 -201.73547 -194.92676 6.80871 2.38797 -194.24532 699.95612
6120.0000 -202.23115 -196.04465 6.18650 2.27101 -196.43505 635.04638
6125.0000 -201.27535 -194.32939 6.94596 2.31627 -195.58771 640.57163
6130.0000 -201.13445 -194.55934 6.57511 2.40695 -193.89015 687.90232
6135.0000 -200.54891 -194.75749 5.79142 2.33983 -195.14671 641.20047
6140.0000 -202.22742 -195.01262 7.21480 2.35446 -194.87274 656.25313
6145.0000 -200.89519 -193.83686 7.05833 2.38020 -194.39082 651.44813
6150.0000 -203.12503 -196.47247 6.65256 2.34814 -194.99114 665.19911
6155.0000 -202.54017 -196.46747 6.07270 2.28875 -196.10289 616.98420
6160.0000 -202.49220 -197.23972 5.25248 2.21412 -197.49991 561.69258
6165.0000 -201.43145 -195.19530 6.23615 2.29822 -195.92550 616.15698
6170.0000 -201.41636 -194.03541 7.38095 2.35156 -194.92707 645.74482
6175.0000 -201.82922 -194.36269 7.46653 2.39628 -194.08988 668.52317
6180.0000 -201.64326 -193.39459 8.24867 2.41215 -193.79274 675.70465
6185.0000 -201.56175 -194.59442 6.96733 2.39545 -194.10537 672.68087
6190.0000 -202.39924 -194.93149 7.46775 2.38135 -194.36935 676.66828
6195.0000 -201.12828 -194.40488 6.72340 2.35469 -194.86846 665.99719
6200.0000 -202.14726 -195.07675 7.07051 2.37872 -194.41861 674.07928
6205.0000 -202.24030 -195.31006 6.93025 2.34049 -195.13428 652.04781
6210.0000 -200.06763 -193.24120 6.82643 2.43963 -193.27835 697.28356
6215.0000 -202.17782 -194.27872 7.89910 2.41056 -193.82259 680.90366
6220.0000 -202.53570 -194.52335 8.01235 2.39812 -194.05539 709.01726
6225.0000 -200.54296 -193.25434 7.28861 2.38970 -194.21297 708.07551
6230.0000 -200.93001 -194.13775 6.79226 2.36307 -194.71147 654.88854
6235.0000 -200.80767 -193.47160 7.33608 2.42387 -193.57340 704.84447
6240.0000 -201.39590 -194.31533 7.08056 2.39877 -194.04324 684.47132
6245.0000 -201.70859 -195.86477 5.84381 2.33831 -195.17510 632.91970
6250.0000 -200.92416 -194.25910 6.66506 2.34239 -195.09876 654.95798
FREEZING PROCESS: loop number 26 T-loop= 626.00000000000000
main_MD> interactions number 26 at Temperature= 626.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90633 0.48901 -0.53332
force_rgl> df(natom) 0.74061 1.05822 0.77230
6255.0000 -202.29401 -196.02666 6.26736 2.35720 -194.82145 666.43682
6260.0000 -202.46117 -196.18852 6.27265 2.26169 -196.60951 570.50838
6265.0000 -202.53389 -196.64588 5.88800 2.30984 -195.70812 625.42641
6270.0000 -202.37261 -195.92285 6.44976 2.27693 -196.32424 593.37231
6275.0000 -201.38439 -194.30596 7.07844 2.33561 -195.22564 620.41096
6280.0000 -201.39952 -194.07451 7.32500 2.38577 -194.28658 664.59292
6285.0000 -200.93146 -193.52998 7.40149 2.40720 -193.88535 654.45463
6290.0000 -201.17444 -195.25280 5.92163 2.38734 -194.25723 667.18180
6295.0000 -202.15945 -194.96415 7.19529 2.34371 -195.07398 647.89311
6300.0000 -201.08108 -195.58068 5.50041 2.31831 -195.54944 626.25745
6305.0000 -203.74845 -196.25411 7.49434 2.27667 -196.32900 608.89317
6310.0000 -202.96144 -196.53499 6.42646 2.29593 -195.96845 624.05777
6315.0000 -202.88804 -196.92877 5.95927 2.26066 -196.62870 608.91780
6320.0000 -203.06122 -197.30387 5.75735 2.27404 -196.37822 587.01930
6325.0000 -203.16609 -196.92405 6.24204 2.26004 -196.64027 586.09089
6330.0000 -201.91350 -194.33748 7.57602 2.31704 -195.57331 622.23564
6335.0000 -202.36923 -195.85679 6.51245 2.35193 -194.92019 639.09477
6340.0000 -200.89483 -193.76434 7.13049 2.37257 -194.53376 655.81586
6345.0000 -202.03425 -195.26230 6.77195 2.35569 -194.84975 659.15789
6350.0000 -202.67620 -196.30350 6.37270 2.27838 -196.29694 598.02572
6355.0000 -202.60307 -196.04254 6.56053 2.29429 -195.99909 604.40051
6360.0000 -202.48746 -195.60965 6.87781 2.31512 -195.60915 601.53376
6365.0000 -202.34038 -196.16865 6.17172 2.31671 -195.57935 612.25232
6370.0000 -202.42046 -196.39912 6.02133 2.27912 -196.28310 610.42469
6375.0000 -201.96486 -196.53503 5.42983 2.26793 -196.49265 586.12607
6380.0000 -204.72935 -197.96568 6.76367 2.22326 -197.32887 587.77752
6385.0000 -202.95559 -196.93521 6.02038 2.20721 -197.62937 587.63116
6390.0000 -203.52506 -196.85929 6.66577 2.27167 -196.42270 614.49048
6395.0000 -202.53673 -196.74746 5.78927 2.21415 -197.49937 559.96350
6400.0000 -202.62015 -196.30526 6.31490 2.28029 -196.26123 601.22422
6405.0000 -202.49172 -195.41819 7.07353 2.30781 -195.74610 631.30839
6410.0000 -201.63328 -195.18696 6.44633 2.30621 -195.77608 616.11410
6415.0000 -201.66763 -195.14759 6.52004 2.36681 -194.64160 633.83923
6420.0000 -201.49736 -195.57452 5.92283 2.33514 -195.23446 638.50928
6425.0000 -200.73043 -195.22750 5.50293 2.31986 -195.52049 615.93257
6430.0000 -202.22760 -195.31901 6.90860 2.33439 -195.24838 621.04829
6435.0000 -202.70053 -196.04328 6.65725 2.29293 -196.02457 617.50044
6440.0000 -202.68367 -196.18574 6.49793 2.30056 -195.88182 608.39898
6445.0000 -201.65986 -195.10341 6.55645 2.29746 -195.93988 611.47059
6450.0000 -203.23026 -196.37837 6.85189 2.29769 -195.93544 611.31955
6455.0000 -202.84319 -195.34055 7.50265 2.29466 -195.99221 629.57284
6460.0000 -202.29361 -195.88910 6.40451 2.30606 -195.77878 619.97836
6465.0000 -203.57009 -196.98947 6.58061 2.26621 -196.52493 592.59262
6470.0000 -202.57926 -196.29072 6.28853 2.27366 -196.38539 593.72341
6475.0000 -202.53451 -196.76872 5.76579 2.25658 -196.70512 601.98885
6480.0000 -203.76765 -197.27921 6.48845 2.24953 -196.83711 616.80275
6485.0000 -201.61664 -194.94872 6.66792 2.28735 -196.12908 609.46813
6490.0000 -201.77908 -196.07102 5.70806 2.33323 -195.27022 616.16551
6495.0000 -202.15440 -195.41873 6.73568 2.31470 -195.61698 623.79469
6500.0000 -202.94193 -196.94170 6.00023 2.24467 -196.92802 563.22599
FREEZING PROCESS: loop number 27 T-loop= 601.00000000000000
main_MD> interactions number 27 at Temperature= 601.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.32928 0.12656 0.67515
force_rgl> df(natom) -3.37638 2.31802 0.29887
6505.0000 -203.04949 -196.10899 6.94050 2.22173 -197.35747 571.37188
6510.0000 -204.34189 -198.64400 5.69789 2.22645 -197.26911 601.32140
6515.0000 -204.45585 -198.44163 6.01422 2.17536 -198.22560 544.16368
6520.0000 -202.53215 -195.91201 6.62014 2.24706 -196.88340 586.25859
6525.0000 -202.97055 -197.18656 5.78400 2.29636 -195.96036 626.97682
6530.0000 -203.72599 -197.02528 6.70071 2.25724 -196.69272 622.92019
6535.0000 -203.80525 -197.50820 6.29705 2.21765 -197.43395 584.60242
6540.0000 -204.38751 -197.60164 6.78587 2.19117 -197.92960 592.30794
6545.0000 -203.66499 -198.61297 5.05201 2.16231 -198.46992 569.65743
6550.0000 -204.67431 -197.54841 7.12590 2.17328 -198.26449 575.77771
6555.0000 -203.17787 -197.94343 5.23444 2.14969 -198.70627 543.40477
6560.0000 -203.88640 -197.15141 6.73499 2.21934 -197.40219 600.99437
6565.0000 -203.49044 -197.83260 5.65783 2.18564 -198.03316 581.24900
6570.0000 -204.24799 -197.53450 6.71350 2.19121 -197.92881 565.83838
6575.0000 -202.58653 -196.41998 6.16655 2.23915 -197.03151 582.23356
6580.0000 -201.98192 -195.70563 6.27629 2.29833 -195.92344 607.07153
6585.0000 -202.61768 -195.54438 7.07330 2.29796 -195.93051 618.15331
6590.0000 -202.11897 -195.27910 6.83987 2.30260 -195.84359 641.19053
6595.0000 -201.52537 -195.56953 5.95584 2.28873 -196.10316 593.34969
6600.0000 -202.17133 -195.86153 6.30980 2.33061 -195.31925 630.35884
6605.0000 -202.05156 -196.35517 5.69640 2.26408 -196.56474 591.98297
6610.0000 -203.00355 -196.73404 6.26952 2.30348 -195.82719 619.21136
6615.0000 -203.10847 -197.00250 6.10597 2.20399 -197.68963 549.34036
6620.0000 -203.41989 -197.48738 5.93251 2.23589 -197.09244 586.01880
6625.0000 -202.87019 -196.99345 5.87674 2.24227 -196.97306 571.92856
6630.0000 -202.63894 -196.69475 5.94418 2.25612 -196.71372 575.32474
6635.0000 -203.42087 -196.19852 7.22235 2.25102 -196.80916 568.88292
6640.0000 -201.37255 -195.74407 5.62848 2.30734 -195.75485 628.62234
6645.0000 -202.82831 -195.23620 7.59211 2.34314 -195.08461 632.01752
6650.0000 -202.26159 -195.34338 6.91822 2.30994 -195.70620 620.79181
6655.0000 -203.02230 -196.68706 6.33524 2.29168 -196.04809 633.21648
6660.0000 -204.08962 -197.67041 6.41921 2.20783 -197.61768 589.47293
6665.0000 -204.70025 -197.37916 7.32109 2.23807 -197.05158 609.06787
6670.0000 -203.19171 -197.21347 5.97824 2.26414 -196.56357 633.26573
6675.0000 -203.44307 -197.89696 5.54611 2.23932 -197.02831 577.38608
6680.0000 -203.88217 -198.33569 5.54648 2.20929 -197.59042 537.77485
6685.0000 -202.81401 -197.13202 5.68199 2.24182 -196.98136 588.89721
6690.0000 -203.19144 -197.07776 6.11368 2.21917 -197.40552 554.39741
6695.0000 -202.03042 -196.26442 5.76600 2.24446 -196.93207 582.51055
6700.0000 -202.96230 -196.66488 6.29743 2.28122 -196.24390 598.19680
6705.0000 -202.24428 -197.05416 5.19011 2.24157 -196.98607 570.57200
6710.0000 -203.10877 -195.23214 7.87664 2.29977 -195.89658 607.00590
6715.0000 -202.42643 -195.11821 7.30822 2.33431 -195.24999 642.42237
6720.0000 -203.23242 -196.84826 6.38415 2.28413 -196.18936 608.26952
6725.0000 -202.87450 -197.23340 5.64111 2.21418 -197.49892 560.18375
6730.0000 -203.10072 -197.40688 5.69383 2.24409 -196.93887 593.03983
6735.0000 -204.10814 -198.20261 5.90553 2.22172 -197.35779 576.74946
6740.0000 -204.14554 -198.57832 5.56722 2.17948 -198.14844 528.57550
6745.0000 -202.79001 -197.05884 5.73118 2.20015 -197.76151 551.30472
6750.0000 -204.14238 -198.66687 5.47551 2.20304 -197.70741 570.12991
FREEZING PROCESS: loop number 28 T-loop= 576.00000000000000
main_MD> interactions number 28 at Temperature= 576.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.71672 0.33891 1.18727
force_rgl> df(natom) 5.30833 0.04638 1.56169
6755.0000 -202.66821 -197.30458 5.36363 2.18478 -198.04934 542.69507
6760.0000 -203.47127 -197.14932 6.32195 2.23313 -197.14407 574.53371
6765.0000 -203.04307 -196.75397 6.28910 2.24664 -196.89125 573.28652
6770.0000 -202.93956 -197.10529 5.83427 2.26039 -196.63378 607.62542
6775.0000 -203.69763 -197.92470 5.77293 2.21169 -197.54553 568.50187
6780.0000 -203.81327 -197.42416 6.38911 2.17447 -198.24233 543.95311
6785.0000 -203.56569 -198.09345 5.47224 2.19979 -197.76828 542.46113
6790.0000 -203.77921 -197.76706 6.01215 2.19038 -197.94437 534.51509
6795.0000 -202.95799 -196.75681 6.20117 2.23096 -197.18481 580.04343
6800.0000 -203.62548 -197.28787 6.33760 2.20372 -197.69462 583.52583
6805.0000 -203.94592 -196.41626 7.52966 2.21650 -197.45546 593.95564
6810.0000 -203.29536 -197.60464 5.69073 2.26272 -196.59023 634.73052
6815.0000 -203.37993 -196.86688 6.51305 2.22753 -197.24891 592.61902
6820.0000 -204.32644 -198.63400 5.69245 2.25457 -196.74284 628.03218
6825.0000 -204.21429 -198.61117 5.60312 2.12887 -199.09600 513.22838
6830.0000 -203.48629 -197.52652 5.95977 2.20729 -197.62785 555.10303
6835.0000 -203.85391 -198.39680 5.45711 2.15947 -198.52313 538.62103
6840.0000 -203.25045 -197.07859 6.17186 2.17891 -198.15923 547.73338
6845.0000 -204.39498 -198.59409 5.80089 2.20206 -197.72578 554.73187
6850.0000 -203.14493 -197.69067 5.45427 2.18039 -198.13142 558.75179
6855.0000 -203.23546 -196.27883 6.95664 2.22136 -197.36446 567.06896
6860.0000 -202.30419 -196.06679 6.23739 2.29863 -195.91788 642.67619
6865.0000 -202.64724 -196.13839 6.50884 2.24937 -196.84014 606.78664
6870.0000 -202.78422 -196.43358 6.35064 2.27309 -196.39612 611.34326
6875.0000 -203.99632 -197.55396 6.44236 2.24414 -196.93800 571.59755
6880.0000 -204.02662 -198.91663 5.10999 2.18201 -198.10116 537.52347
6885.0000 -204.15407 -197.95787 6.19620 2.18541 -198.03744 551.57341
6890.0000 -203.87637 -198.51737 5.35900 2.19421 -197.87273 561.19012
6895.0000 -204.41734 -198.67920 5.73814 2.15092 -198.68316 549.60098
6900.0000 -203.48329 -197.28992 6.19337 2.20707 -197.63202 563.24302
6905.0000 -203.48343 -197.87058 5.61285 2.21640 -197.45741 566.30851
6910.0000 -203.47107 -196.72592 6.74516 2.25563 -196.72293 591.46787
6915.0000 -203.56086 -197.34273 6.21813 2.22441 -197.30732 561.09668
6920.0000 -203.22062 -196.15425 7.06637 2.23404 -197.12705 580.87405
6925.0000 -203.41832 -197.56208 5.85624 2.25322 -196.76794 588.14893
6930.0000 -202.66386 -196.84688 5.81698 2.22252 -197.34266 556.82895
6935.0000 -203.19058 -196.82245 6.36813 2.23845 -197.04449 567.16117
6940.0000 -203.63266 -196.97440 6.65826 2.24942 -196.83912 601.67449
6945.0000 -203.70755 -198.25467 5.45288 2.16304 -198.45631 546.48210
6950.0000 -204.05929 -198.09661 5.96268 2.16926 -198.33972 551.66386
6955.0000 -203.96620 -197.32146 6.64475 2.21403 -197.50178 566.53825
6960.0000 -204.14600 -197.66267 6.48334 2.19116 -197.92986 563.28757
6965.0000 -204.64392 -199.03507 5.60885 2.15306 -198.64311 555.72535
6970.0000 -205.55398 -200.25822 5.29576 2.07195 -200.16155 501.13221
6975.0000 -204.38722 -199.00955 5.37767 2.09695 -199.69353 519.44656
6980.0000 -203.19434 -196.44716 6.74718 2.19127 -197.92781 584.42385
6985.0000 -204.79343 -198.70979 6.08365 2.20744 -197.62499 583.04048
6990.0000 -203.59192 -198.23727 5.35465 2.15994 -198.51432 557.09560
6995.0000 -202.38123 -197.56060 4.82063 2.21372 -197.50743 544.64204
7000.0000 -201.39104 -196.02847 5.36256 2.26585 -196.53152 571.05108
FREEZING PROCESS: loop number 29 T-loop= 551.00000000000000
main_MD> interactions number 29 at Temperature= 551.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.80590 -2.88184 4.31663
force_rgl> df(natom) 5.28366 3.00689 4.88602
7005.0000 -202.50773 -197.14532 5.36241 2.24703 -196.88383 584.87648
7010.0000 -202.58364 -196.41332 6.17032 2.25348 -196.76321 577.94687
7015.0000 -201.97656 -195.99662 5.97994 2.28171 -196.23473 597.43110
7020.0000 -202.46831 -196.56696 5.90135 2.26579 -196.53263 580.66431
7025.0000 -203.51695 -197.97462 5.54234 2.23930 -197.02860 559.58700
7030.0000 -202.76259 -197.17044 5.59215 2.22250 -197.34310 571.47241
7035.0000 -202.87636 -197.57974 5.29662 2.21055 -197.56688 552.98456
7040.0000 -203.39541 -197.78327 5.61214 2.23357 -197.13583 566.65565
7045.0000 -204.31216 -198.51753 5.79463 2.16705 -198.38114 522.55155
7050.0000 -203.69224 -199.11012 4.58212 2.15592 -198.58947 521.88739
7055.0000 -203.76482 -198.63465 5.13017 2.14160 -198.85769 519.76734
7060.0000 -203.35597 -197.41509 5.94088 2.20559 -197.65974 566.51895
7065.0000 -203.42222 -198.24610 5.17612 2.20254 -197.71685 565.00750
7070.0000 -203.83617 -198.87258 4.96359 2.17914 -198.15485 528.98589
7075.0000 -203.68588 -198.10308 5.58281 2.19249 -197.90488 535.09507
7080.0000 -203.19085 -197.96167 5.22919 2.21059 -197.56603 546.04126
7085.0000 -204.21664 -198.04046 6.17618 2.18481 -198.04879 531.31814
7090.0000 -203.33625 -198.35448 4.98177 2.15446 -198.61686 524.99429
7095.0000 -203.89727 -197.58229 6.31499 2.19572 -197.84451 568.54329
7100.0000 -202.88787 -197.07267 5.81520 2.23254 -197.15517 574.48314
7105.0000 -203.59320 -197.48854 6.10466 2.23451 -197.11827 586.30415
7110.0000 -203.59556 -197.87487 5.72069 2.19147 -197.92411 556.30195
7115.0000 -204.31728 -197.64453 6.67275 2.22252 -197.34276 577.71542
7120.0000 -203.60049 -196.94444 6.65605 2.23155 -197.17375 592.13181
7125.0000 -203.82012 -198.27363 5.54649 2.19023 -197.94717 586.43947
7130.0000 -204.14570 -198.29973 5.84597 2.14587 -198.77777 551.53185
7135.0000 -203.88381 -197.28562 6.59819 2.23835 -197.04644 599.93692
7140.0000 -204.30444 -198.49380 5.81065 2.20319 -197.70456 574.05712
7145.0000 -203.23697 -197.72522 5.51175 2.21792 -197.42888 571.80184
7150.0000 -203.83912 -198.37518 5.46394 2.19320 -197.89166 546.02900
7155.0000 -203.66829 -198.35775 5.31054 2.17810 -198.17424 535.83135
7160.0000 -203.49121 -198.14699 5.34422 2.17798 -198.17654 528.77468
7165.0000 -203.70109 -197.51004 6.19105 2.18334 -198.07623 560.09900
7170.0000 -203.90126 -197.82719 6.07407 2.21525 -197.47883 584.68021
7175.0000 -204.88711 -198.71038 6.17673 2.13886 -198.90896 543.14351
7180.0000 -204.65493 -199.01073 5.64420 2.18025 -198.13399 573.26698
7185.0000 -204.68785 -198.70716 5.98069 2.14124 -198.86437 546.66698
7190.0000 -203.91971 -197.47048 6.44923 2.15284 -198.64729 542.67121
7195.0000 -205.13446 -199.11298 6.02148 2.14965 -198.70698 560.75249
7200.0000 -203.88904 -198.27718 5.61187 2.17813 -198.17370 564.73032
7205.0000 -204.01886 -198.55677 5.46209 2.15081 -198.68515 542.18786
7210.0000 -203.37546 -197.52328 5.85218 2.18467 -198.05131 583.06747
7215.0000 -206.06630 -199.69956 6.36674 2.17674 -198.19972 576.14678
7220.0000 -205.06657 -200.42151 4.64506 2.09118 -199.80151 524.90596
7225.0000 -205.75073 -199.58681 6.16392 2.08780 -199.86486 519.30968
7230.0000 -204.79940 -198.76318 6.03622 2.10475 -199.54741 525.63656
7235.0000 -204.43081 -199.33658 5.09423 2.13068 -199.06215 533.64336
7240.0000 -203.78765 -198.65370 5.13395 2.11611 -199.33486 525.21428
7245.0000 -204.19005 -198.20630 5.98375 2.17379 -198.25504 576.31700
7250.0000 -204.87649 -199.79801 5.07848 2.12717 -199.12780 542.24356
FREEZING PROCESS: loop number 30 T-loop= 526.00000000000000
main_MD> interactions number 30 at Temperature= 526.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.20108 -0.25271 0.64470
force_rgl> df(natom) -2.25444 1.05542 4.10474
7255.0000 -204.34535 -198.29101 6.05434 2.15335 -198.63775 562.36654
7260.0000 -204.67635 -199.81067 4.86568 2.12601 -199.14956 511.09186
7265.0000 -205.13546 -200.52831 4.60714 2.07175 -200.16519 492.73420
7270.0000 -205.99519 -200.05553 5.93966 2.05109 -200.55208 502.43822
7275.0000 -205.95677 -200.28208 5.67469 2.06219 -200.34421 514.71662
7280.0000 -205.03035 -199.84919 5.18116 2.05248 -200.52609 510.90483
7285.0000 -205.48239 -199.79415 5.68824 2.09519 -199.72637 532.62263
7290.0000 -205.34941 -199.64385 5.70556 2.11932 -199.27465 539.70912
7295.0000 -205.61404 -200.74891 4.86514 2.05843 -200.41467 494.98730
7300.0000 -205.39027 -199.84824 5.54203 2.07395 -200.12412 511.66870
7305.0000 -205.86927 -199.88112 5.98814 2.07955 -200.01917 527.93477
7310.0000 -205.32419 -198.95516 6.36903 2.09427 -199.74364 535.31740
7315.0000 -205.77443 -200.49587 5.27856 2.09006 -199.82256 536.31218
7320.0000 -205.23323 -199.46448 5.76875 2.14005 -198.88671 575.90724
7325.0000 -205.07261 -199.71880 5.35381 2.10192 -199.60056 532.98623
7330.0000 -205.29854 -199.75477 5.54376 2.08972 -199.82882 527.44258
7335.0000 -204.92838 -199.58831 5.34007 2.11220 -199.40798 535.15168
7340.0000 -204.73308 -199.22789 5.50519 2.08541 -199.90955 506.73094
7345.0000 -205.08925 -199.65147 5.43777 2.13521 -198.97729 545.09619
7350.0000 -204.97260 -199.70689 5.26571 2.12505 -199.16740 536.56567
7355.0000 -204.54738 -198.56942 5.97796 2.11156 -199.42010 517.92919
7360.0000 -203.61123 -198.11517 5.49606 2.16345 -198.44866 531.44884
7365.0000 -204.37311 -198.58614 5.78697 2.15567 -198.59430 508.33713
7370.0000 -202.95727 -197.52088 5.43639 2.19565 -197.84584 541.70430
7375.0000 -204.78039 -199.34723 5.43316 2.18682 -198.01117 559.39942
7380.0000 -204.65269 -199.45260 5.20009 2.11881 -199.28427 524.05512
7385.0000 -205.10724 -200.50990 4.59734 2.10453 -199.55165 509.46590
7390.0000 -205.14121 -199.80803 5.33318 2.05178 -200.53917 470.25931
7395.0000 -204.55280 -199.56892 4.98388 2.07135 -200.17276 486.50498
7400.0000 -205.06267 -199.01052 6.05215 2.12583 -199.15280 530.73135
7405.0000 -205.60195 -199.43829 6.16366 2.10306 -199.57917 515.63721
7410.0000 -204.96122 -199.03499 5.92623 2.14262 -198.83856 550.03378
7415.0000 -204.43012 -199.45173 4.97839 2.09769 -199.67975 522.59290
7420.0000 -205.01655 -199.16243 5.85412 2.12075 -199.24804 526.70608
7425.0000 -205.05856 -199.24455 5.81401 2.14078 -198.87303 542.98528
7430.0000 -204.93274 -199.47074 5.46201 2.13758 -198.93283 530.77789
7435.0000 -203.96553 -198.46465 5.50088 2.11434 -199.36803 501.97470
7440.0000 -203.47165 -197.70946 5.76219 2.17731 -198.18917 543.14480
7445.0000 -204.41061 -199.38976 5.02085 2.16964 -198.33274 551.08626
7450.0000 -204.63471 -199.27563 5.35907 2.10959 -199.45693 507.07536
7455.0000 -204.06186 -197.97494 6.08691 2.15182 -198.66633 538.71472
7460.0000 -203.49946 -197.28881 6.21066 2.18712 -198.00555 568.66273
7465.0000 -204.60986 -199.01905 5.59081 2.18783 -197.99211 554.25412
7470.0000 -203.61950 -197.82961 5.78989 2.19265 -197.90200 565.76180
7475.0000 -204.72743 -198.66676 6.06067 2.17739 -198.18758 546.34678
7480.0000 -204.80550 -198.25752 6.54799 2.15864 -198.53857 527.70863
7485.0000 -204.11170 -198.77319 5.33850 2.15565 -198.59453 523.41689
7490.0000 -204.66152 -198.84288 5.81864 2.13322 -199.01450 503.96136
7495.0000 -203.91775 -198.45810 5.45965 2.15610 -198.58622 534.92855
7500.0000 -203.18487 -197.54554 5.63933 2.18862 -197.97735 548.32664
FREEZING PROCESS: loop number 31 T-loop= 501.00000000000000
main_MD> interactions number 31 at Temperature= 501.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.82587 -1.80314 -0.46829
force_rgl> df(natom) -0.05017 0.27093 3.09940
7505.0000 -204.12424 -199.15762 4.96662 2.16562 -198.40794 526.22026
7510.0000 -203.96539 -199.00057 4.96481 2.13707 -198.94245 520.47500
7515.0000 -203.03914 -197.71296 5.32618 2.17789 -198.17825 529.75827
7520.0000 -203.79320 -197.73202 6.06118 2.18599 -198.02660 528.56741
7525.0000 -203.71776 -197.91110 5.80665 2.18697 -198.00835 513.65145
7530.0000 -203.84422 -197.93703 5.90719 2.20218 -197.72351 558.18824
7535.0000 -204.26730 -198.72425 5.54305 2.16659 -198.38983 555.95310
7540.0000 -204.66181 -199.18310 5.47871 2.13055 -199.06441 551.52678
7545.0000 -204.52949 -199.58885 4.94064 2.11092 -199.43201 522.83537
7550.0000 -205.86368 -200.83295 5.03073 2.05720 -200.43764 487.89920
7555.0000 -204.80624 -200.26326 4.54298 2.03763 -200.80396 468.71961
7560.0000 -206.71916 -202.34579 4.37336 2.00171 -201.47639 459.02512
7565.0000 -204.98442 -199.90305 5.08137 2.02497 -201.04096 474.94776
7570.0000 -206.03299 -201.16721 4.86578 2.05350 -200.50702 483.71343
7575.0000 -205.66754 -200.42539 5.24216 2.05416 -200.49455 491.87642
7580.0000 -206.85361 -200.82652 6.02709 2.06953 -200.20675 510.84098
7585.0000 -205.68300 -200.48822 5.19477 2.02324 -201.07341 473.65881
7590.0000 -205.40559 -200.78663 4.61896 2.06290 -200.33099 506.40477
7595.0000 -206.45054 -200.55000 5.90054 2.03112 -200.92593 484.36124
7600.0000 -205.43149 -200.45102 4.98047 2.03410 -200.87008 500.80585
7605.0000 -204.91523 -199.41417 5.50107 2.10749 -199.49628 530.90843
7610.0000 -205.12670 -200.55894 4.56776 2.08322 -199.95060 493.64002
7615.0000 -205.26845 -200.52843 4.74002 2.05484 -200.48187 500.82746
7620.0000 -205.34380 -199.41447 5.92932 2.11027 -199.44415 538.89460
7625.0000 -205.06605 -199.20433 5.86172 2.12551 -199.15883 528.67775
7630.0000 -203.79910 -198.23964 5.55945 2.15203 -198.66240 529.37180
7635.0000 -204.39654 -199.70014 4.69640 2.10711 -199.50327 490.46366
7640.0000 -204.71374 -198.98386 5.72988 2.10306 -199.57916 486.96752
7645.0000 -204.88227 -199.62985 5.25242 2.08195 -199.97431 475.60662
7650.0000 -204.04295 -199.09695 4.94600 2.07531 -200.09867 480.71864
7655.0000 -205.07349 -200.26255 4.81094 2.07377 -200.12744 477.47673
7660.0000 -205.28674 -199.55621 5.73053 2.08350 -199.94531 480.73964
7665.0000 -204.77959 -200.14983 4.62976 2.07317 -200.13867 472.16263
7670.0000 -204.70923 -199.15984 5.54939 2.11720 -199.31443 501.94516
7675.0000 -204.01450 -197.95220 6.06231 2.14572 -198.78046 522.73156
7680.0000 -205.09396 -199.73682 5.35714 2.13286 -199.02117 516.12619
7685.0000 -205.41515 -199.60031 5.81484 2.10317 -199.57715 518.98740
7690.0000 -203.92013 -198.46863 5.45150 2.10246 -199.59045 516.32923
7695.0000 -205.10551 -200.09811 5.00739 2.13675 -198.94844 554.87021
7700.0000 -206.29731 -201.36902 4.92829 2.04408 -200.68327 477.06977
7705.0000 -205.39479 -200.06715 5.32764 2.02531 -201.03467 465.69535
7710.0000 -204.85393 -199.84399 5.00993 2.09445 -199.74031 516.79907
7715.0000 -206.18034 -200.49450 5.68585 2.06974 -200.20291 483.72806
7720.0000 -206.02404 -200.59164 5.43240 2.05640 -200.45265 488.03892
7725.0000 -205.89916 -201.02573 4.87343 2.07422 -200.11909 499.42581
7730.0000 -206.14724 -201.41372 4.73352 2.03424 -200.86747 478.83048
7735.0000 -205.62421 -200.68461 4.93960 2.01588 -201.21125 442.49150
7740.0000 -204.82177 -199.70351 5.11826 2.08784 -199.86409 482.23196
7745.0000 -205.52124 -201.44335 4.07789 2.06244 -200.33955 477.37664
7750.0000 -204.87881 -200.43025 4.44857 2.03299 -200.89082 457.84507
FREEZING PROCESS: loop number 32 T-loop= 476.00000000000000
main_MD> interactions number 32 at Temperature= 476.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24820 0.23561 -0.86856
force_rgl> df(natom) -0.26568 0.67935 -2.06963
7755.0000 -205.37546 -200.64467 4.73079 2.06906 -200.21560 472.36929
7760.0000 -205.32884 -198.92653 6.40231 2.12326 -199.20102 513.66269
7765.0000 -204.52727 -199.78487 4.74240 2.12114 -199.24058 516.57117
7770.0000 -205.64719 -200.72216 4.92504 2.07035 -200.19149 481.03233
7775.0000 -205.95445 -201.12567 4.82878 2.02535 -201.03395 478.30027
7780.0000 -206.06131 -201.25373 4.80757 2.02368 -201.06520 460.31717
7785.0000 -205.18208 -200.34237 4.83971 2.01749 -201.18108 459.93219
7790.0000 -205.87891 -200.41770 5.46121 2.07583 -200.08888 508.53871
7795.0000 -205.47610 -199.26867 6.20743 2.09287 -199.76986 532.93046
7800.0000 -205.57829 -200.67359 4.90469 2.07169 -200.16648 497.11604
7805.0000 -205.66082 -201.23634 4.42448 2.02849 -200.97518 452.37742
7810.0000 -205.45677 -200.66883 4.78793 2.04054 -200.74950 471.76272
7815.0000 -206.10159 -201.32152 4.78007 2.01657 -201.19834 474.29562
7820.0000 -207.13483 -202.73112 4.40372 1.98176 -201.85004 451.34341
7825.0000 -206.44675 -202.08111 4.36564 1.96870 -202.09438 443.64386
7830.0000 -206.37840 -201.63333 4.74508 1.96855 -202.09731 458.03582
7835.0000 -207.14898 -201.43895 5.71003 1.99854 -201.53584 475.40045
7840.0000 -206.57866 -201.51326 5.06540 1.99989 -201.51061 479.38027
7845.0000 -206.65670 -201.87268 4.78402 1.96749 -202.11709 454.48419
7850.0000 -206.27071 -200.94414 5.32657 2.00050 -201.49906 478.17330
7855.0000 -205.79863 -200.17949 5.61914 2.05168 -200.54105 511.18991
7860.0000 -206.81001 -202.09407 4.71594 2.00965 -201.32779 487.41925
7865.0000 -206.81900 -202.72426 4.09474 1.93249 -202.77240 420.97149
7870.0000 -205.58393 -200.47573 5.10820 2.01342 -201.25721 478.24834
7875.0000 -205.76391 -201.20501 4.55890 2.04123 -200.73660 475.25557
7880.0000 -207.19548 -202.68558 4.50989 1.96147 -202.22974 439.78004
7885.0000 -207.28968 -202.54808 4.74160 1.94907 -202.46187 434.14184
7890.0000 -207.27867 -202.50846 4.77021 1.95451 -202.36013 436.63994
7895.0000 -206.51893 -201.79411 4.72482 1.96520 -202.15995 446.35222
7900.0000 -206.62490 -201.31782 5.30708 1.99225 -201.65354 470.38426
7905.0000 -207.29649 -202.41501 4.88147 1.96887 -202.09130 452.85514
7910.0000 -206.80848 -201.69618 5.11230 1.98060 -201.87168 463.06136
7915.0000 -207.64851 -203.34242 4.30609 1.96308 -202.19973 439.88785
7920.0000 -207.04499 -202.77657 4.26842 1.95814 -202.29218 440.80397
7925.0000 -207.07737 -202.55123 4.52614 1.96308 -202.19969 434.49581
7930.0000 -206.79984 -202.78370 4.01614 1.94435 -202.55031 427.82652
7935.0000 -207.35652 -202.93912 4.41740 1.94792 -202.48348 437.93621
7940.0000 -206.79526 -201.59436 5.20090 1.94821 -202.47812 435.20152
7945.0000 -206.16593 -200.93562 5.23031 2.00266 -201.45877 476.80239
7950.0000 -205.69411 -201.11792 4.57619 2.01413 -201.24393 477.34792
7955.0000 -206.25375 -201.01969 5.23407 2.03044 -200.93864 465.41199
7960.0000 -206.37444 -200.54909 5.82535 2.04532 -200.66002 495.43971
7965.0000 -206.16056 -201.17630 4.98427 2.02607 -201.02044 477.74233
7970.0000 -205.94603 -201.25207 4.69395 2.03097 -200.92879 478.23283
7975.0000 -206.27573 -201.74404 4.53170 2.00919 -201.33636 464.14105
7980.0000 -206.43436 -201.98349 4.45087 1.99414 -201.61822 450.12257
7985.0000 -206.40685 -202.23440 4.17246 1.96519 -202.16020 430.03280
7990.0000 -206.19280 -200.78581 5.40699 2.03004 -200.94604 478.77565
7995.0000 -206.42736 -201.45329 4.97407 2.01606 -201.20783 469.76875
8000.0000 -205.91361 -200.27139 5.64222 2.00225 -201.46631 459.37503
FREEZING PROCESS: loop number 33 T-loop= 451.00000000000000
main_MD> interactions number 33 at Temperature= 451.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24852 -4.67318 -4.75060
force_rgl> df(natom) 1.88637 1.84269 -0.54347
8005.0000 -206.33836 -201.13318 5.20518 2.01984 -201.13709 465.09129
8010.0000 -205.94436 -200.88135 5.06301 2.01722 -201.18613 461.19484
8015.0000 -205.96303 -201.35512 4.60791 2.02485 -201.04327 462.16166
8020.0000 -206.86414 -202.53436 4.32978 1.97478 -201.98071 425.76539
8025.0000 -205.68562 -200.56861 5.11701 1.99767 -201.55204 445.91776
8030.0000 -206.19737 -201.44267 4.75470 2.03415 -200.86913 467.83443
8035.0000 -206.63733 -202.00207 4.63526 1.98052 -201.87316 431.83438
8040.0000 -207.76357 -202.60055 5.16302 1.95347 -202.37958 413.89040
8045.0000 -205.97979 -200.94094 5.03885 1.96874 -202.09367 438.12176
8050.0000 -205.31412 -199.98201 5.33211 2.05290 -200.51817 502.97275
8055.0000 -207.00281 -200.83536 6.16744 2.05784 -200.42565 500.01057
8060.0000 -207.00436 -202.54427 4.46009 1.97578 -201.96197 438.94840
8065.0000 -206.17622 -201.29935 4.87686 1.97081 -202.05502 437.66733
8070.0000 -205.55473 -200.80055 4.75418 2.00153 -201.47982 445.55004
8075.0000 -207.25161 -202.32764 4.92397 1.99098 -201.67729 435.13071
8080.0000 -206.92495 -201.51517 5.40978 1.98275 -201.83149 443.23622
8085.0000 -206.61037 -201.33182 5.27854 2.00147 -201.48102 465.16472
8090.0000 -205.42010 -200.69792 4.72218 2.04072 -200.74612 476.55310
8095.0000 -205.89334 -201.29214 4.60121 2.02831 -200.97852 475.12760
8100.0000 -206.36124 -202.03429 4.32695 2.02101 -201.11509 476.90732
8105.0000 -206.91056 -202.17632 4.73424 1.96306 -202.20013 431.02202
8110.0000 -206.76212 -202.00411 4.75801 1.96687 -202.12864 430.54353
8115.0000 -206.91395 -202.71267 4.20129 1.94436 -202.55020 416.16314
8120.0000 -206.14380 -201.65333 4.49046 1.94529 -202.53278 404.82554
8125.0000 -206.35521 -201.49943 4.85578 2.02058 -201.12318 479.56448
8130.0000 -206.37381 -201.25495 5.11886 2.00567 -201.40232 469.71705
8135.0000 -206.80733 -202.42991 4.37742 1.99288 -201.64181 456.15924
8140.0000 -205.84276 -201.61145 4.23131 1.99126 -201.67206 443.75878
8145.0000 -206.80196 -202.18287 4.61909 1.98428 -201.80278 450.14615
8150.0000 -206.43983 -202.03331 4.40652 1.97004 -202.06937 432.94573
8155.0000 -206.05557 -201.69779 4.35778 1.96796 -202.10826 433.60555
8160.0000 -206.12702 -201.70233 4.42468 1.99185 -201.66101 446.18480
8165.0000 -206.47841 -201.46787 5.01054 2.00248 -201.46206 441.18001
8170.0000 -206.63634 -201.79466 4.84168 1.99537 -201.59518 451.50548
8175.0000 -206.46556 -201.65893 4.80664 2.01236 -201.27701 462.64751
8180.0000 -205.84216 -200.85389 4.98827 2.01566 -201.21542 477.44014
8185.0000 -205.92065 -201.03722 4.88343 2.03359 -200.87969 488.41483
8190.0000 -207.30309 -202.53971 4.76338 1.96621 -202.14108 431.80651
8195.0000 -206.96017 -202.14661 4.81356 1.94100 -202.61307 410.78830
8200.0000 -207.44168 -202.56298 4.87870 1.95425 -202.36505 422.99318
8205.0000 -207.07084 -202.63305 4.43779 1.94064 -202.61971 415.70854
8210.0000 -206.06614 -201.52653 4.53961 1.97256 -202.02228 438.07035
8215.0000 -205.49354 -200.79597 4.69757 2.03545 -200.84476 482.09068
8220.0000 -206.14417 -200.30017 5.84400 2.05576 -200.46456 491.88645
8225.0000 -206.58269 -200.87625 5.70644 2.04499 -200.66620 487.96030
8230.0000 -206.93518 -201.89111 5.04408 2.01591 -201.21058 477.31743
8235.0000 -206.68199 -202.38366 4.29834 1.96627 -202.13994 420.95678
8240.0000 -206.76407 -201.66829 5.09578 1.95766 -202.30105 425.59039
8245.0000 -206.94901 -202.49765 4.45136 1.98625 -201.76582 445.59780
8250.0000 -206.24960 -201.74095 4.50866 1.96880 -202.09264 437.78786
FREEZING PROCESS: loop number 34 T-loop= 426.00000000000000
main_MD> interactions number 34 at Temperature= 426.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92043 1.49908 -2.36088
force_rgl> df(natom) -0.65591 0.41552 -0.41280
8255.0000 -206.56395 -201.92261 4.64134 1.96587 -202.14748 429.36977
8260.0000 -206.18578 -201.83350 4.35228 1.98571 -201.77609 445.00302
8265.0000 -206.11089 -200.97684 5.13405 2.00630 -201.39053 450.70130
8270.0000 -205.90851 -201.40238 4.50613 1.99865 -201.53370 450.72818
8275.0000 -206.19745 -201.95289 4.24456 1.98860 -201.72184 435.27281
8280.0000 -206.62267 -201.36560 5.25706 1.98637 -201.76365 451.09584
8285.0000 -205.27056 -201.49710 3.77345 2.02098 -201.11566 484.04944
8290.0000 -206.88023 -202.44453 4.43570 1.97215 -202.02981 434.03864
8295.0000 -206.34758 -202.37751 3.97007 1.95367 -202.37590 421.06274
8300.0000 -206.60238 -202.48531 4.11708 1.93005 -202.81803 388.17726
8305.0000 -206.19308 -201.71188 4.48120 1.96022 -202.25321 413.17148
8310.0000 -207.01199 -202.62394 4.38805 1.95218 -202.40376 414.23084
8315.0000 -205.84728 -201.69487 4.15241 1.96757 -202.11557 417.22783
8320.0000 -205.96231 -201.67667 4.28565 1.99265 -201.64602 436.95425
8325.0000 -206.24755 -202.29829 3.94925 1.98286 -201.82933 417.70416
8330.0000 -206.35761 -201.02049 5.33712 2.01498 -201.22798 441.60546
8335.0000 -205.93565 -201.43672 4.49893 2.00372 -201.43878 440.65514
8340.0000 -206.06637 -201.87525 4.19112 1.99482 -201.60547 418.20859
8345.0000 -206.93694 -202.48149 4.45545 1.94668 -202.50664 397.45060
8350.0000 -206.88979 -202.26921 4.62059 1.97156 -202.04100 454.54938
8355.0000 -207.17205 -202.70248 4.46957 1.94361 -202.56412 428.95259
8360.0000 -206.63371 -201.97726 4.65645 1.94883 -202.46653 435.52927
8365.0000 -207.35894 -202.56013 4.79882 1.96032 -202.25134 442.94960
8370.0000 -206.34800 -202.41119 3.93681 1.95275 -202.39311 438.95069
8375.0000 -206.86933 -202.45545 4.41389 1.92183 -202.97194 409.79611
8380.0000 -207.18741 -203.09220 4.09521 1.92248 -202.95981 411.10521
8385.0000 -206.97808 -202.49761 4.48047 1.91241 -203.14821 401.01377
8390.0000 -206.65967 -202.64213 4.01753 1.96877 -202.09307 436.74492
8395.0000 -206.64372 -202.36299 4.28073 1.96779 -202.11143 435.21716
8400.0000 -206.39605 -201.99876 4.39730 1.96617 -202.14189 447.48221
8405.0000 -207.40030 -203.05950 4.34080 1.91896 -203.02562 412.39975
8410.0000 -207.16378 -202.96529 4.19849 1.91929 -203.01946 411.25176
8415.0000 -206.73177 -201.49517 5.23660 1.96142 -202.23082 444.41106
8420.0000 -207.92700 -203.15394 4.77306 1.95499 -202.35105 439.47276
8425.0000 -207.42480 -203.03863 4.38616 1.90245 -203.33465 401.37171
8430.0000 -207.24755 -203.32537 3.92218 1.92646 -202.88530 419.26831
8435.0000 -207.11272 -203.09984 4.01288 1.93658 -202.69581 422.17383
8440.0000 -206.99159 -202.35976 4.63183 1.93282 -202.76612 425.82287
8445.0000 -207.53943 -202.54139 4.99803 1.95223 -202.40284 436.36103
8450.0000 -207.15480 -202.39196 4.76285 1.94955 -202.45294 425.74623
8455.0000 -206.63395 -202.11441 4.51955 1.94155 -202.60279 410.33416
8460.0000 -207.29265 -202.92332 4.36933 1.92816 -202.85341 407.07865
8465.0000 -207.30852 -202.83809 4.47043 1.90968 -203.19936 405.74946
8470.0000 -206.23482 -202.46541 3.76941 1.95168 -202.41310 435.08638
8475.0000 -206.25924 -202.34272 3.91652 1.98505 -201.78841 458.50388
8480.0000 -206.97296 -202.11648 4.85648 1.96717 -202.12311 443.71987
8485.0000 -206.72241 -202.00790 4.71451 1.96220 -202.21613 440.14880
8490.0000 -207.40821 -203.01597 4.39224 1.93207 -202.78010 423.07182
8495.0000 -207.76195 -203.88812 3.87383 1.90484 -203.28987 396.85702
8500.0000 -206.42926 -202.48591 3.94335 1.91428 -203.11320 405.39307
FREEZING PROCESS: loop number 35 T-loop= 401.00000000000000
main_MD> interactions number 35 at Temperature= 401.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65363 3.73337 -4.78780
force_rgl> df(natom) -0.67600 1.19380 -0.41419
8505.0000 -206.88180 -202.49798 4.38382 1.94693 -202.50207 437.45559
8510.0000 -207.00477 -202.27074 4.73402 1.94742 -202.49285 435.15129
8515.0000 -207.37246 -202.78115 4.59131 1.92864 -202.84447 412.92491
8520.0000 -207.92114 -203.92453 3.99661 1.89083 -203.55229 382.00042
8525.0000 -207.66190 -203.78994 3.87196 1.89486 -203.47683 394.64247
8530.0000 -207.12805 -203.31473 3.81332 1.91166 -203.16231 403.68618
8535.0000 -206.68818 -202.09021 4.59797 1.91844 -203.03538 407.65218
8540.0000 -207.39583 -202.97345 4.42238 1.94037 -202.62483 424.14724
8545.0000 -207.09872 -203.22673 3.87199 1.91198 -203.15623 403.08460
8550.0000 -207.09399 -202.85452 4.23947 1.93703 -202.68724 423.35953
8555.0000 -207.88394 -203.84236 4.04158 1.91093 -203.17589 398.94314
8560.0000 -208.29278 -203.55729 4.73549 1.88023 -203.75071 373.90713
8565.0000 -206.11658 -202.67047 3.44611 1.93172 -202.78671 422.38980
8570.0000 -206.63253 -202.46359 4.16894 1.95371 -202.37501 440.71170
8575.0000 -207.97549 -202.51106 5.46443 1.93262 -202.76998 419.51732
8580.0000 -206.93291 -202.34470 4.58821 1.92109 -202.98583 403.64289
8585.0000 -207.39840 -203.15442 4.24399 1.93085 -202.80305 419.59510
8590.0000 -207.76022 -203.42393 4.33629 1.89562 -203.46251 387.12326
8595.0000 -207.34344 -203.11842 4.22502 1.90964 -203.20001 398.89966
8600.0000 -207.46379 -202.79737 4.66642 1.93168 -202.78748 414.27560
8605.0000 -206.96523 -203.28994 3.67529 1.91994 -203.00721 398.32461
8610.0000 -207.81136 -203.52186 4.28949 1.89386 -203.49552 372.46678
8615.0000 -207.13508 -203.51846 3.61662 1.90841 -203.22304 396.63166
8620.0000 -206.99439 -201.96127 5.03312 1.93060 -202.80776 416.43737
8625.0000 -207.39972 -203.09071 4.30901 1.92448 -202.92231 401.51049
8630.0000 -207.53093 -203.95864 3.57230 1.86721 -203.99445 360.36820
8635.0000 -207.42164 -202.96944 4.45219 1.90321 -203.32045 393.95213
8640.0000 -207.90580 -203.58745 4.31835 1.88950 -203.57718 386.13338
8645.0000 -207.23893 -203.02874 4.21020 1.90493 -203.28827 395.69557
8650.0000 -207.18028 -202.71479 4.46549 1.93388 -202.74640 419.25574
8655.0000 -206.78863 -202.57316 4.21548 1.94776 -202.48647 432.64143
8660.0000 -207.36748 -203.34684 4.02064 1.91146 -203.16597 400.52619
8665.0000 -207.57827 -203.25475 4.32352 1.91763 -203.05057 402.05569
8670.0000 -207.36293 -203.24348 4.11945 1.93104 -202.79943 411.41363
8675.0000 -207.43874 -202.72077 4.71797 1.92326 -202.94520 414.76123
8680.0000 -207.36651 -203.44810 3.91841 1.91991 -203.00779 412.83675
8685.0000 -207.68054 -203.87878 3.80176 1.89177 -203.53464 389.17128
8690.0000 -207.35193 -203.03001 4.32192 1.88576 -203.64716 384.13378
8695.0000 -207.69078 -203.50857 4.18221 1.89070 -203.55464 387.03398
8700.0000 -207.81312 -203.37964 4.43348 1.88520 -203.65770 380.79294
8705.0000 -207.86150 -203.69140 4.17010 1.87401 -203.86717 367.60824
8710.0000 -206.97085 -202.64997 4.32088 1.91221 -203.15202 402.13054
8715.0000 -207.72653 -203.35436 4.37217 1.91886 -203.02746 411.28918
8720.0000 -207.36333 -203.19856 4.16477 1.91368 -203.12448 400.47857
8725.0000 -207.37268 -202.69697 4.67571 1.93121 -202.79626 415.59819
8730.0000 -206.41683 -202.66727 3.74956 1.93656 -202.69614 420.58916
8735.0000 -207.40587 -202.69549 4.71038 1.93400 -202.74407 416.83076
8740.0000 -206.71762 -201.77835 4.93927 1.94947 -202.45440 431.27889
8745.0000 -207.69976 -203.58779 4.11197 1.91826 -203.03874 408.54623
8750.0000 -207.33857 -202.65032 4.68825 1.93095 -202.80107 416.15929
FREEZING PROCESS: loop number 36 T-loop= 376.00000000000000
main_MD> interactions number 36 at Temperature= 376.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11588 0.92543 -0.42710
force_rgl> df(natom) -1.30321 -0.14334 -0.30706
8755.0000 -207.09076 -202.70636 4.38440 1.92480 -202.91624 408.57595
8760.0000 -207.86395 -204.20272 3.66123 1.90262 -203.33145 392.70751
8765.0000 -207.93822 -203.85959 4.07863 1.85151 -204.28833 356.50507
8770.0000 -207.59747 -202.79575 4.80172 1.90645 -203.25986 405.44276
8775.0000 -208.41001 -204.15682 4.25319 1.89802 -203.41757 390.47623
8780.0000 -207.86089 -204.28291 3.57798 1.85447 -204.23300 350.15548
8785.0000 -207.99577 -204.26056 3.73521 1.83829 -204.53585 339.86430
8790.0000 -208.23672 -204.19894 4.03778 1.86234 -204.08559 364.05093
8795.0000 -207.17165 -203.49361 3.67805 1.84808 -204.35247 344.64811
8800.0000 -207.87181 -204.08524 3.78658 1.87565 -203.83646 379.76545
8805.0000 -208.41059 -204.30898 4.10161 1.86409 -204.05290 367.89896
8810.0000 -208.00746 -203.89720 4.11026 1.85417 -204.23858 356.28634
8815.0000 -208.00523 -203.55671 4.44852 1.86824 -203.97518 367.46011
8820.0000 -207.87974 -203.39097 4.48878 1.88404 -203.67934 386.59122
8825.0000 -207.26920 -203.29800 3.97120 1.90051 -203.37104 395.36172
8830.0000 -208.08687 -203.80673 4.28015 1.89564 -203.46227 386.63030
8835.0000 -207.03486 -203.86171 3.17315 1.86677 -204.00270 361.38937
8840.0000 -207.75784 -203.91373 3.84411 1.86967 -203.94830 368.29615
8845.0000 -207.67423 -204.32866 3.34557 1.85431 -204.23585 355.67370
8850.0000 -208.34288 -204.95448 3.38840 1.83748 -204.55092 340.35467
8855.0000 -207.74678 -203.84812 3.89865 1.84703 -204.37223 351.29182
8860.0000 -207.85341 -204.41586 3.43755 1.86681 -204.00190 370.89051
8865.0000 -207.86009 -204.59645 3.26364 1.83834 -204.53489 342.29213
8870.0000 -208.27382 -204.15265 4.12116 1.86510 -204.03388 365.54842
8875.0000 -207.69654 -203.73054 3.96601 1.85070 -204.30359 354.25617
8880.0000 -207.90355 -204.35112 3.55243 1.86749 -203.98915 363.92114
8885.0000 -208.08470 -203.42413 4.66057 1.86431 -204.04867 358.33227
8890.0000 -207.62625 -203.11765 4.50860 1.89764 -203.42467 395.91354
8895.0000 -207.16610 -203.37383 3.79227 1.92923 -202.83333 416.98337
8900.0000 -207.63710 -203.66939 3.96770 1.88278 -203.70297 383.46326
8905.0000 -207.66260 -203.73293 3.92967 1.89257 -203.51958 383.09319
8910.0000 -206.99947 -203.01704 3.98243 1.87512 -203.84641 373.12491
8915.0000 -207.20234 -202.92106 4.28128 1.92430 -202.92566 403.09360
8920.0000 -207.27667 -203.07962 4.19705 1.92281 -202.95352 411.55913
8925.0000 -207.56790 -203.49671 4.07118 1.90691 -203.25124 397.26944
8930.0000 -207.50513 -203.05539 4.44974 1.90428 -203.30050 395.41767
8935.0000 -207.49157 -204.05580 3.43578 1.88106 -203.73506 376.32674
8940.0000 -208.16247 -204.33209 3.83038 1.85757 -204.17490 358.50293
8945.0000 -208.34648 -204.21379 4.13269 1.82497 -204.78512 331.10711
8950.0000 -208.34555 -204.33901 4.00654 1.86465 -204.04235 366.30284
8955.0000 -207.72475 -204.18527 3.53948 1.84618 -204.38805 354.17906
8960.0000 -207.35954 -203.23936 4.12018 1.88274 -203.70365 383.96916
8965.0000 -208.05132 -203.75530 4.29602 1.88988 -203.57009 387.15873
8970.0000 -207.85751 -204.29279 3.56472 1.86302 -204.07290 364.80665
8975.0000 -207.44592 -203.45543 3.99049 1.89459 -203.48187 387.37370
8980.0000 -206.96851 -202.45195 4.51656 1.89386 -203.49549 390.57679
8985.0000 -207.17098 -203.35248 3.81850 1.93375 -202.74868 417.25268
8990.0000 -208.49917 -203.96992 4.52925 1.88949 -203.57736 388.62840
8995.0000 -207.98996 -203.71330 4.27666 1.88369 -203.68593 383.64988
9000.0000 -207.65338 -203.81434 3.83903 1.87804 -203.79169 379.47019
FREEZING PROCESS: loop number 37 T-loop= 351.00000000000000
main_MD> interactions number 37 at Temperature= 351.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25888 1.05391 0.32651
force_rgl> df(natom) -1.05661 -1.59608 0.44680
9005.0000 -207.86918 -204.57792 3.29126 1.85107 -204.29665 359.38031
9010.0000 -208.09911 -204.39222 3.70689 1.85447 -204.23292 361.35765
9015.0000 -207.88687 -204.50018 3.38669 1.85135 -204.29137 360.29636
9020.0000 -208.74983 -205.40246 3.34737 1.82444 -204.79509 336.59213
9025.0000 -208.34403 -204.22754 4.11649 1.83010 -204.68922 340.68887
9030.0000 -208.54845 -204.78463 3.76382 1.83588 -204.58103 342.08926
9035.0000 -207.79358 -204.90647 2.88712 1.81670 -204.93994 322.77953
9040.0000 -207.96743 -204.70212 3.26532 1.82883 -204.71285 338.00160
9045.0000 -208.00768 -204.41189 3.59578 1.82324 -204.81749 327.62021
9050.0000 -207.59187 -203.78259 3.80928 1.85709 -204.18389 357.29297
9055.0000 -207.60963 -204.06829 3.54134 1.87520 -203.84482 374.11130
9060.0000 -208.11617 -204.12395 3.99221 1.84428 -204.42361 349.12800
9065.0000 -207.98322 -204.65689 3.32633 1.83696 -204.56070 349.38197
9070.0000 -208.16311 -204.52616 3.63695 1.84566 -204.39793 351.81163
9075.0000 -208.43923 -204.95142 3.48781 1.81997 -204.87877 328.47548
9080.0000 -207.95134 -204.41822 3.53312 1.84029 -204.49839 345.00121
9085.0000 -208.34145 -204.68983 3.65162 1.82849 -204.71924 336.51368
9090.0000 -207.46936 -204.08247 3.38689 1.84794 -204.35510 351.34865
9095.0000 -208.03641 -204.22684 3.80957 1.86301 -204.07310 361.29650
9100.0000 -207.84269 -204.59568 3.24702 1.82967 -204.69712 336.76286
9105.0000 -208.28624 -204.91985 3.36639 1.83917 -204.51932 343.45188
9110.0000 -208.24354 -204.51772 3.72582 1.84014 -204.50123 349.32503
9115.0000 -208.16409 -204.26722 3.89687 1.84127 -204.48008 349.90282
9120.0000 -208.49112 -205.11719 3.37394 1.82649 -204.75665 335.01610
9125.0000 -208.28338 -205.12240 3.16098 1.81039 -205.05820 323.83907
9130.0000 -208.73758 -205.12229 3.61529 1.83010 -204.68917 340.45262
9135.0000 -207.96794 -204.56059 3.40734 1.81187 -205.03044 321.48491
9140.0000 -208.85699 -205.00092 3.85607 1.83275 -204.63945 341.19267
9145.0000 -208.19235 -204.52545 3.66690 1.83665 -204.56659 341.42009
9150.0000 -208.43634 -205.29426 3.14208 1.80817 -205.09977 315.20032
9155.0000 -207.87327 -204.28882 3.58445 1.84765 -204.36052 355.04622
9160.0000 -208.00927 -204.29120 3.71807 1.84642 -204.38369 353.48203
9165.0000 -208.24759 -204.90818 3.33941 1.84677 -204.37713 355.95987
9170.0000 -208.14277 -204.50261 3.64016 1.84801 -204.35387 353.04882
9175.0000 -207.52099 -204.42861 3.09238 1.84608 -204.38995 348.04077
9180.0000 -207.73701 -204.06419 3.67282 1.85699 -204.18570 359.28673
9185.0000 -207.96984 -204.55184 3.41800 1.83964 -204.51048 343.81458
9190.0000 -208.35025 -204.52901 3.82124 1.82310 -204.82025 331.56135
9195.0000 -208.58048 -204.50570 4.07478 1.85398 -204.24207 354.52566
9200.0000 -207.83090 -204.25243 3.57846 1.85302 -204.26008 356.71091
9205.0000 -207.38671 -203.71815 3.66856 1.87427 -203.86221 375.40137
9210.0000 -208.33765 -204.15489 4.18276 1.88392 -203.68166 384.02492
9215.0000 -208.42164 -203.99256 4.42908 1.87736 -203.80446 368.88351
9220.0000 -207.66650 -203.31437 4.35213 1.87446 -203.85862 376.33743
9225.0000 -207.53621 -204.06512 3.47109 1.88191 -203.71924 377.64009
9230.0000 -207.53285 -204.07229 3.46057 1.86823 -203.97527 355.77507
9235.0000 -208.07625 -204.25578 3.82046 1.84999 -204.31673 334.95599
9240.0000 -208.17514 -204.58700 3.58813 1.84558 -204.39928 344.45619
9245.0000 -208.36608 -204.44806 3.91802 1.86404 -204.05378 365.66698
9250.0000 -208.39589 -204.50822 3.88767 1.82953 -204.69986 337.67404
FREEZING PROCESS: loop number 38 T-loop= 326.00000000000000
main_MD> interactions number 38 at Temperature= 326.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.21342 0.07525 -1.56739
force_rgl> df(natom) -1.42527 0.06600 -0.51005
9255.0000 -208.68835 -205.93257 2.75578 1.83453 -204.60628 343.92788
9260.0000 -208.38104 -205.87322 2.50782 1.76773 -205.85674 287.62713
9265.0000 -208.58938 -205.41699 3.17239 1.77785 -205.66729 295.95708
9270.0000 -208.82861 -204.93212 3.89650 1.80596 -205.14113 319.19358
9275.0000 -208.22466 -204.81084 3.41382 1.82334 -204.81567 332.14095
9280.0000 -208.18298 -205.20469 2.97829 1.80412 -205.17559 311.52357
9285.0000 -207.75831 -204.37083 3.38748 1.81325 -205.00464 321.56958
9290.0000 -208.03385 -204.84866 3.18519 1.83289 -204.63686 334.57799
9295.0000 -207.94565 -204.21527 3.73037 1.85435 -204.23524 351.83718
9300.0000 -208.59373 -205.08941 3.50433 1.81737 -204.92742 326.16015
9305.0000 -208.35065 -204.83309 3.51757 1.81861 -204.90427 329.87234
9310.0000 -208.56540 -205.10309 3.46231 1.81387 -204.99299 326.01264
9315.0000 -207.61323 -204.56586 3.04738 1.81098 -205.04708 325.05664
9320.0000 -208.22249 -204.41647 3.80602 1.83320 -204.63105 337.91126
9325.0000 -208.22398 -204.70793 3.51604 1.84393 -204.43026 348.47680
9330.0000 -208.37618 -204.37887 3.99731 1.85208 -204.27772 354.70564
9335.0000 -208.08798 -204.58550 3.50249 1.84064 -204.49191 347.75623
9340.0000 -208.71020 -204.44776 4.26244 1.84098 -204.48543 345.54556
9345.0000 -208.52081 -205.26070 3.26011 1.81865 -204.90355 325.64341
9350.0000 -208.42701 -205.08832 3.33869 1.82242 -204.83286 330.14466
9355.0000 -208.44980 -204.37840 4.07140 1.82514 -204.78202 332.34163
9360.0000 -207.36716 -203.68849 3.67867 1.86378 -204.05861 364.99241
9365.0000 -208.23586 -204.64530 3.59055 1.85554 -204.21287 351.41420
9370.0000 -208.49736 -204.64842 3.84893 1.85427 -204.23661 364.27404
9375.0000 -207.86210 -204.92364 2.93846 1.82508 -204.78310 338.03398
9380.0000 -208.02854 -204.62455 3.40399 1.80497 -205.15966 314.65870
9385.0000 -208.90854 -205.39299 3.51555 1.80839 -205.09558 319.38161
9390.0000 -208.24884 -205.34317 2.90567 1.79688 -205.31110 308.68008
9395.0000 -208.26821 -204.28202 3.98619 1.83345 -204.62649 341.20099
9400.0000 -208.31878 -205.02346 3.29532 1.80725 -205.11694 321.50793
9405.0000 -208.47628 -205.19894 3.27734 1.80281 -205.20012 312.63284
9410.0000 -207.49381 -204.22578 3.26802 1.82083 -204.86270 331.65075
9415.0000 -208.05682 -204.78690 3.26992 1.83997 -204.50431 345.36374
9420.0000 -208.76324 -204.97936 3.78388 1.84084 -204.48809 341.79335
9425.0000 -208.26874 -204.31198 3.95676 1.82848 -204.71940 334.16872
9430.0000 -208.55154 -204.47325 4.07829 1.84123 -204.48077 346.59303
9435.0000 -207.71205 -204.15095 3.56111 1.85156 -204.28746 356.05265
9440.0000 -207.43692 -203.42172 4.01520 1.86712 -203.99603 365.71683
9445.0000 -208.48588 -204.74340 3.74248 1.84808 -204.35252 353.03963
9450.0000 -208.50159 -205.66423 2.83736 1.79414 -205.36235 307.40115
9455.0000 -208.43433 -204.82703 3.60731 1.79296 -205.38442 305.96275
9460.0000 -208.33591 -205.17992 3.15599 1.81625 -204.94851 328.64016
9465.0000 -207.89800 -204.97256 2.92544 1.81044 -205.05716 322.25262
9470.0000 -208.50971 -204.77561 3.73410 1.80800 -205.10285 319.81603
9475.0000 -207.96151 -204.65344 3.30807 1.83519 -204.59383 341.43653
9480.0000 -208.23256 -204.98460 3.24797 1.82538 -204.77757 333.25303
9485.0000 -207.85927 -204.14732 3.71195 1.83200 -204.65352 341.88028
9490.0000 -207.82473 -204.73845 3.08628 1.84861 -204.34254 354.05813
9495.0000 -208.67731 -205.61300 3.06431 1.78540 -205.52591 297.80154
9500.0000 -208.20514 -204.89843 3.30672 1.81314 -205.00669 322.20954
FREEZING PROCESS: loop number 39 T-loop= 301.00000000000000
main_MD> interactions number 39 at Temperature= 301.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45240 0.67898 -1.51996
force_rgl> df(natom) 1.34909 -1.27598 1.75629
9505.0000 -208.93882 -205.69377 3.24505 1.79305 -205.38269 308.29737
9510.0000 -208.18174 -205.17302 3.00871 1.78947 -205.44978 305.92784
9515.0000 -208.89732 -205.80865 3.08867 1.78597 -205.51538 304.32396
9520.0000 -208.80837 -205.68839 3.11998 1.77533 -205.71446 294.31790
9525.0000 -209.13353 -206.22381 2.90972 1.77194 -205.77795 290.88388
9530.0000 -209.20009 -206.53716 2.66293 1.74282 -206.32304 268.91309
9535.0000 -208.78895 -205.86758 2.92137 1.74975 -206.19344 272.15945
9540.0000 -208.57065 -205.05326 3.51739 1.79660 -205.31625 306.68226
9545.0000 -208.11599 -204.55647 3.55952 1.83235 -204.64695 339.61053
9550.0000 -208.69260 -205.40302 3.28958 1.80959 -205.07307 320.49718
9555.0000 -208.29602 -204.98993 3.30609 1.78488 -205.53575 300.31839
9560.0000 -208.84980 -205.94563 2.90417 1.79507 -205.34494 307.47434
9565.0000 -209.23015 -205.82919 3.40096 1.77271 -205.76362 287.31852
9570.0000 -208.68243 -205.47023 3.21220 1.76497 -205.90852 281.39928
9575.0000 -208.26157 -204.77760 3.48397 1.82336 -204.81535 326.29812
9580.0000 -208.75146 -204.51700 4.23445 1.82230 -204.83512 332.63949
9585.0000 -208.93156 -205.50226 3.42930 1.81190 -205.02989 321.96762
9590.0000 -208.21151 -205.25806 2.95344 1.78969 -205.44560 300.65564
9595.0000 -208.35325 -205.64862 2.70463 1.76955 -205.82272 285.64771
9600.0000 -208.95792 -205.76317 3.19475 1.79127 -205.41600 299.14107
9605.0000 -208.89765 -205.88620 3.01145 1.76375 -205.93127 283.82432
9610.0000 -209.03361 -205.45731 3.57630 1.76982 -205.81761 290.14345
9615.0000 -208.42690 -205.50828 2.91863 1.78014 -205.62449 298.99980
9620.0000 -208.93457 -205.87492 3.05964 1.77955 -205.63541 295.73114
9625.0000 -208.65348 -205.70594 2.94754 1.76438 -205.91943 285.52641
9630.0000 -208.89023 -205.67642 3.21381 1.77854 -205.65445 295.52268
9635.0000 -209.05012 -205.85446 3.19566 1.78131 -205.60248 298.78196
9640.0000 -208.61105 -205.92164 2.68941 1.75522 -206.09089 271.79188
9645.0000 -208.31603 -205.23504 3.08099 1.79572 -205.33283 308.11855
9650.0000 -208.47815 -205.32056 3.15759 1.78498 -205.53378 300.65304
9655.0000 -208.70255 -205.58298 3.11957 1.78951 -205.44902 303.42886
9660.0000 -208.42699 -205.40663 3.02036 1.78517 -205.53019 300.26717
9665.0000 -209.37939 -206.20422 3.17517 1.75643 -206.06825 278.86087
9670.0000 -209.12606 -206.08331 3.04275 1.75979 -206.00538 278.22991
9675.0000 -208.29588 -205.10504 3.19084 1.78977 -205.44417 299.93370
9680.0000 -208.55522 -205.13713 3.41809 1.81205 -205.02699 321.47719
9685.0000 -208.53105 -205.50784 3.02320 1.78806 -205.47617 302.78635
9690.0000 -208.52762 -204.85418 3.67344 1.80383 -205.18094 318.66644
9695.0000 -208.38881 -205.00348 3.38532 1.80979 -205.06934 321.75975
9700.0000 -208.26658 -204.60121 3.66537 1.80585 -205.14306 320.34797
9705.0000 -208.07868 -204.79697 3.28171 1.83295 -204.63587 339.74410
9710.0000 -208.59420 -205.37488 3.21932 1.80598 -205.14075 316.51861
9715.0000 -208.06411 -204.83455 3.22956 1.79345 -205.37526 307.13219
9720.0000 -208.84749 -206.37127 2.47622 1.78383 -205.55542 299.87300
9725.0000 -209.35040 -206.25061 3.09979 1.74107 -206.35595 262.69206
9730.0000 -208.41351 -205.11888 3.29463 1.78431 -205.54629 293.13963
9735.0000 -208.63654 -205.69512 2.94142 1.80507 -205.15779 315.52892
9740.0000 -208.62643 -205.26731 3.35912 1.79236 -205.39571 307.92311
9745.0000 -208.68966 -205.19689 3.49277 1.78994 -205.44095 302.77475
9750.0000 -208.39371 -205.02910 3.36461 1.79783 -205.29330 311.16921
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 38.7629975 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink