tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_45/freeze.log

1979 lines
195 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_45.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 = 45 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 45 4500
main_MD> Size of nv and nvoiz: 45 4500
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 = 45
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> 0.16835038706356534 2.8701388586153894E-002 -0.13427585852546287 initial drift of cluster / NP1 for coalescence
init> 0.33319537332348587 0.31891832343785798 0.28345468700841808 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7176817101930602E-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) -0.37779 -2.96696 1.00802
force_rgl> df(natom) -0.09396 2.12586 1.34774
preparo> THERMALIZATION PROCESS AT 1198.9718633766106
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -96.719812222049342 6.1033186236983532 -102.82313084574770 6.2080522800377460E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1174.0000000000000
main_MD> interactions number 1 at Temperature= 1174.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93220 -1.07657 1.09085
force_rgl> df(natom) 0.28544 1.98528 1.76242
5.0000 -102.07575 -95.58565 6.49010 2.99185 -94.89861 1268.48217
10.0000 -103.66107 -96.34711 7.31396 2.87428 -96.38607 1209.69917
15.0000 -104.33320 -95.26159 9.07161 2.90668 -95.97621 1262.23101
20.0000 -103.29672 -97.02402 6.27270 2.92763 -95.71118 1282.73452
25.0000 -104.14467 -96.05884 8.08583 2.86908 -96.45191 1221.69347
30.0000 -104.28221 -98.00880 6.27340 2.89896 -96.07382 1203.39956
35.0000 -103.03539 -95.62900 7.40639 2.88583 -96.24001 1250.61568
40.0000 -104.03174 -98.36865 5.66309 2.85184 -96.66999 1233.10888
45.0000 -105.05081 -97.62820 7.42260 2.72978 -98.21416 1081.48874
50.0000 -104.36172 -96.28672 8.07500 2.79789 -97.35257 1163.22410
55.0000 -104.47351 -98.03745 6.43606 2.85185 -96.66983 1208.68831
60.0000 -103.68760 -97.57388 6.11372 2.79446 -97.39587 1181.69202
65.0000 -103.13728 -95.56801 7.56926 2.92952 -95.68725 1297.36699
70.0000 -101.68966 -95.15683 6.53283 2.95108 -95.41438 1222.62209
75.0000 -103.86774 -96.06540 7.80234 2.91667 -95.84978 1225.53891
80.0000 -103.80542 -97.69209 6.11334 2.83126 -96.93032 1169.64821
85.0000 -104.45911 -97.55888 6.90023 2.76553 -97.76194 1139.15897
90.0000 -102.62303 -95.97728 6.64575 2.82933 -96.95471 1179.99341
95.0000 -102.72912 -95.37531 7.35381 2.95824 -95.32379 1246.90286
100.0000 -102.32978 -94.04738 8.28240 3.00026 -94.79226 1301.61915
105.0000 -100.96730 -92.97338 7.99392 3.04292 -94.25252 1371.34132
110.0000 -102.76989 -96.21934 6.55055 3.09824 -93.55266 1390.85216
115.0000 -104.87350 -96.17705 8.69645 2.88418 -96.26083 1204.63599
120.0000 -103.10361 -97.37647 5.72714 2.82792 -96.97263 1166.55616
125.0000 -103.74093 -96.81810 6.92283 2.90248 -96.02929 1210.12701
130.0000 -103.32817 -95.78749 7.54069 2.95796 -95.32742 1288.26327
135.0000 -103.66267 -97.35642 6.30626 2.74943 -97.96565 1118.99924
140.0000 -103.36870 -96.21641 7.15228 2.83819 -96.84272 1176.83099
145.0000 -104.67146 -95.66890 9.00255 2.89535 -96.11954 1219.45415
150.0000 -104.16935 -97.38817 6.78119 2.77671 -97.62051 1108.23648
155.0000 -102.87948 -96.63003 6.24945 2.78486 -97.51740 1175.93628
160.0000 -105.53479 -97.85641 7.67838 2.81494 -97.13683 1201.87665
165.0000 -102.63922 -95.54984 7.08938 2.78019 -97.57645 1151.46206
170.0000 -103.07786 -95.41597 7.66189 2.87092 -96.42857 1223.58715
175.0000 -101.97464 -95.06715 6.90749 2.97898 -95.06148 1269.24514
180.0000 -104.22623 -97.75786 6.46838 2.84100 -96.80711 1195.95324
185.0000 -103.75367 -96.57061 7.18306 2.85288 -96.65679 1175.19327
190.0000 -101.04720 -93.88964 7.15756 2.96555 -95.23136 1284.62620
195.0000 -102.73766 -95.92487 6.81279 2.95535 -95.36045 1220.18183
200.0000 -103.72471 -95.17594 8.54877 2.94114 -95.54024 1291.85951
205.0000 -103.66382 -96.54894 7.11487 2.98822 -94.94451 1316.54642
210.0000 -102.35781 -96.77147 5.58633 2.91773 -95.83643 1252.42356
215.0000 -102.31098 -94.48744 7.82354 2.90639 -95.97986 1178.65685
220.0000 -103.30843 -96.78625 6.52218 2.92308 -95.76864 1243.06734
225.0000 -102.35869 -96.97912 5.37958 2.84337 -96.77718 1240.00319
230.0000 -104.85710 -98.33861 6.51849 2.71352 -98.41998 1101.45128
235.0000 -104.33244 -98.65559 5.67684 2.69583 -98.64377 1073.40536
240.0000 -105.92969 -98.51869 7.41100 2.74948 -97.96497 1124.39865
245.0000 -106.33546 -98.88787 7.44759 2.67212 -98.94376 1090.99894
250.0000 -104.21022 -99.05867 5.15155 2.69737 -98.62424 1085.23325
FREEZING PROCESS: loop number 2 T-loop= 1149.0000000000000
main_MD> interactions number 2 at Temperature= 1149.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10918 0.77965 -0.88620
force_rgl> df(natom) -1.97018 -1.72300 0.66349
255.0000 -105.38692 -98.77159 6.61533 2.69752 -98.62231 1061.08058
260.0000 -104.45323 -96.99779 7.45544 2.78443 -97.52283 1100.91685
265.0000 -102.43788 -96.65623 5.78164 2.85886 -96.58113 1159.48869
270.0000 -103.28191 -98.22707 5.05484 2.76738 -97.73846 1117.73550
275.0000 -103.72070 -96.75805 6.96265 2.73893 -98.09842 1125.94446
280.0000 -103.93763 -96.17752 7.76011 2.86403 -96.51578 1210.42914
285.0000 -103.78303 -96.41289 7.37014 2.86119 -96.55173 1191.96204
290.0000 -103.85860 -95.54392 8.31468 2.90184 -96.03739 1228.49216
295.0000 -103.40789 -96.99687 6.41103 2.83264 -96.91288 1175.69604
300.0000 -104.00549 -97.65431 6.35118 2.79000 -97.45240 1135.59628
305.0000 -103.73120 -97.54351 6.18769 2.73609 -98.13435 1097.98868
310.0000 -103.83174 -97.05332 6.77842 2.83295 -96.90898 1187.84013
315.0000 -103.86145 -97.03895 6.82250 2.82632 -96.99288 1161.58119
320.0000 -103.83953 -95.60135 8.23818 2.83346 -96.90250 1206.60860
325.0000 -103.56654 -97.10201 6.46453 2.86074 -96.55740 1183.81744
330.0000 -103.38323 -97.03412 6.34911 2.84857 -96.71138 1187.82356
335.0000 -102.56271 -95.25030 7.31241 2.86328 -96.52529 1203.38969
340.0000 -103.97937 -97.10790 6.87147 2.95244 -95.39725 1260.07998
345.0000 -103.09294 -97.12483 5.96811 2.85506 -96.62921 1240.35604
350.0000 -105.31336 -97.66711 7.64625 2.81802 -97.09788 1153.04484
355.0000 -104.27685 -98.09504 6.18181 2.75143 -97.94036 1084.42587
360.0000 -105.84201 -97.72169 8.12033 2.77603 -97.62911 1097.66384
365.0000 -106.12657 -97.78724 8.33933 2.74746 -97.99059 1087.47532
370.0000 -102.44785 -96.16546 6.28238 2.83388 -96.89720 1181.75099
375.0000 -102.16038 -94.16393 7.99645 2.95991 -95.30270 1222.79496
380.0000 -102.37516 -94.48934 7.88582 2.96979 -95.17779 1239.03579
385.0000 -102.21638 -94.38492 7.83146 3.02121 -94.52714 1287.21867
390.0000 -102.83911 -95.25690 7.58221 2.92901 -95.69372 1205.58084
395.0000 -104.87479 -97.31059 7.56420 2.92217 -95.78014 1269.66000
400.0000 -103.47034 -97.79206 5.67828 2.73815 -98.10828 1077.87978
405.0000 -104.25314 -97.33327 6.91987 2.70192 -98.56675 1084.11087
410.0000 -105.49683 -99.31360 6.18323 2.72252 -98.30604 1091.47230
415.0000 -103.47755 -97.74481 5.73274 2.70827 -98.48640 1078.41155
420.0000 -103.63793 -96.95653 6.68140 2.75607 -97.88156 1100.88654
425.0000 -102.87527 -96.02684 6.84844 2.78020 -97.57635 1091.98478
430.0000 -103.58688 -94.86252 8.72436 2.91193 -95.90975 1236.93411
435.0000 -101.98752 -95.23701 6.75051 3.00297 -94.75790 1312.23435
440.0000 -102.61866 -96.60142 6.01723 2.80535 -97.25815 1093.43276
445.0000 -104.57006 -97.61277 6.95729 2.81697 -97.11115 1157.17883
450.0000 -106.05457 -99.00400 7.05057 2.66849 -98.98963 1052.71658
455.0000 -103.90360 -98.38117 5.52242 2.64403 -99.29913 1066.70446
460.0000 -103.61302 -96.56224 7.05078 2.72175 -98.31587 1097.29810
465.0000 -104.16234 -96.04028 8.12206 2.90279 -96.02542 1215.92514
470.0000 -103.91714 -97.61959 6.29755 2.80085 -97.31504 1106.02240
475.0000 -104.77252 -97.15203 7.62049 2.77403 -97.65442 1119.26200
480.0000 -103.79162 -98.04341 5.74821 2.84270 -96.78560 1186.01936
485.0000 -104.51359 -98.46904 6.04455 2.76478 -97.77147 1150.10598
490.0000 -104.30019 -97.35128 6.94891 2.74206 -98.05887 1098.69722
495.0000 -103.83292 -97.14564 6.68728 2.82631 -96.99300 1143.51007
500.0000 -103.46046 -97.75356 5.70691 2.73498 -98.14842 1062.17998
FREEZING PROCESS: loop number 3 T-loop= 1124.0000000000000
main_MD> interactions number 3 at Temperature= 1124.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.50776 1.60355 0.86473
force_rgl> df(natom) -0.38360 -1.09801 1.32889
505.0000 -103.48302 -96.39123 7.09178 2.82332 -97.03083 1197.79991
510.0000 -103.83696 -96.89278 6.94418 2.82941 -96.95378 1134.65515
515.0000 -104.28218 -98.28796 5.99422 2.81479 -97.13865 1187.58691
520.0000 -104.87754 -98.67631 6.20124 2.77991 -97.58001 1182.26664
525.0000 -105.35003 -98.88463 6.46540 2.68134 -98.82705 1099.53510
530.0000 -103.94451 -98.12885 5.81566 2.75108 -97.94470 1086.20480
535.0000 -103.68655 -96.46780 7.21876 2.78210 -97.55226 1091.68390
540.0000 -102.26687 -95.97716 6.28971 2.84221 -96.79180 1153.58736
545.0000 -103.68435 -96.75320 6.93115 2.90956 -95.93973 1214.63968
550.0000 -104.20733 -97.83548 6.37185 2.83684 -96.85980 1147.54367
555.0000 -103.76715 -96.84654 6.92061 2.82680 -96.98679 1149.47433
560.0000 -102.53625 -96.40802 6.12823 2.89445 -96.13095 1160.77895
565.0000 -103.94088 -96.98900 6.95187 2.85834 -96.58769 1168.58708
570.0000 -104.29487 -97.61184 6.68303 2.78728 -97.48670 1118.09233
575.0000 -104.01298 -96.47479 7.53819 2.75396 -97.90829 1112.44387
580.0000 -102.83666 -95.92929 6.90737 2.92443 -95.75164 1232.69101
585.0000 -102.94551 -97.00980 5.93572 2.88225 -96.28518 1196.00060
590.0000 -105.04669 -97.80293 7.24376 2.84612 -96.74235 1220.38206
595.0000 -103.39627 -95.93919 7.45708 2.74927 -97.96762 1076.72500
600.0000 -103.56042 -96.23072 7.32970 2.92991 -95.68223 1282.74217
605.0000 -103.71849 -96.76805 6.95044 2.83407 -96.89478 1201.83717
610.0000 -102.74313 -95.82235 6.92078 2.90782 -95.96176 1243.68817
615.0000 -103.00175 -95.98623 7.01552 2.88570 -96.24159 1201.91294
620.0000 -103.12142 -96.78156 6.33987 2.86764 -96.47012 1168.66221
625.0000 -102.86981 -96.94232 5.92748 2.90414 -96.00828 1185.06326
630.0000 -103.64559 -96.08784 7.55775 2.81434 -97.14442 1149.66704
635.0000 -102.91115 -94.74302 8.16813 2.87275 -96.40548 1284.83961
640.0000 -102.94419 -96.29651 6.64768 2.90322 -96.01989 1231.94004
645.0000 -102.38861 -96.60913 5.77947 2.85099 -96.68068 1210.41706
650.0000 -103.01930 -96.09354 6.92576 2.95773 -95.33037 1267.71227
655.0000 -104.33683 -97.73597 6.60086 2.83780 -96.84760 1176.89862
660.0000 -103.49761 -97.84980 5.64780 2.73484 -98.15020 1078.24603
665.0000 -104.92792 -97.88923 7.03869 2.73660 -98.12791 1115.14260
670.0000 -104.53457 -98.02536 6.50922 2.72558 -98.26732 1097.55241
675.0000 -105.25968 -98.51664 6.74304 2.74460 -98.02677 1105.57695
680.0000 -105.43087 -98.32208 7.10878 2.67302 -98.93236 1066.58948
685.0000 -105.93627 -98.78765 7.14862 2.68574 -98.77138 1063.70470
690.0000 -104.63752 -98.39011 6.24741 2.64855 -99.24195 1088.11282
695.0000 -104.51471 -97.08764 7.42706 2.76159 -97.81181 1155.32932
700.0000 -103.93700 -97.79726 6.13974 2.80747 -97.23133 1161.50409
705.0000 -105.06123 -97.35240 7.70883 2.71808 -98.36218 1065.39322
710.0000 -103.77343 -96.74980 7.02364 2.77627 -97.62601 1152.06154
715.0000 -105.02355 -97.72050 7.30305 2.79629 -97.37280 1176.82097
720.0000 -102.23048 -95.82404 6.40644 2.87511 -96.37561 1236.83648
725.0000 -104.25525 -97.90937 6.34588 2.84084 -96.80909 1137.95682
730.0000 -103.61132 -96.84516 6.76616 2.83194 -96.92176 1207.71255
735.0000 -104.18380 -96.89856 7.28523 2.84659 -96.73643 1176.59239
740.0000 -104.84922 -98.04649 6.80274 2.78679 -97.49296 1084.62908
745.0000 -106.23727 -100.32314 5.91412 2.62210 -99.57656 1022.56850
750.0000 -104.58786 -97.74371 6.84415 2.66042 -99.09166 1048.28634
FREEZING PROCESS: loop number 4 T-loop= 1099.0000000000000
main_MD> interactions number 4 at Temperature= 1099.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11239 0.89696 -0.24654
force_rgl> df(natom) 1.79367 2.02217 -0.28607
755.0000 -104.65710 -96.87486 7.78224 2.80682 -97.23959 1163.73493
760.0000 -105.90918 -98.22444 7.68475 2.74125 -98.06914 1113.92793
765.0000 -103.64928 -97.03869 6.61059 2.78939 -97.46012 1160.44334
770.0000 -105.90413 -98.37596 7.52816 2.85862 -96.58423 1234.17860
775.0000 -103.94396 -97.72757 6.21638 2.72252 -98.30607 1066.90506
780.0000 -104.05697 -97.53580 6.52116 2.80669 -97.24121 1156.00937
785.0000 -105.89950 -99.71498 6.18452 2.68201 -98.81863 1091.59492
790.0000 -105.01740 -98.34807 6.66934 2.71334 -98.42223 1063.61233
795.0000 -105.81259 -98.76564 7.04695 2.64863 -99.24092 1025.20778
800.0000 -104.09289 -97.79125 6.30164 2.68200 -98.81865 1080.97310
805.0000 -104.51415 -98.48750 6.02665 2.63086 -99.46564 1009.53203
810.0000 -104.81258 -97.87298 6.93961 2.76480 -97.77116 1135.88337
815.0000 -105.06484 -98.30308 6.76176 2.70987 -98.46606 1123.72974
820.0000 -104.87373 -97.80836 7.06537 2.71658 -98.38126 1072.49578
825.0000 -103.06700 -95.65733 7.40968 2.84938 -96.70111 1173.22638
830.0000 -102.27395 -97.36972 4.90424 2.91175 -95.91202 1252.83161
835.0000 -104.75183 -98.02043 6.73141 2.77774 -97.60746 1148.82498
840.0000 -105.81373 -99.07881 6.73492 2.61432 -99.67490 1008.09618
845.0000 -104.72634 -96.99926 7.72707 2.72646 -98.25624 1167.41525
850.0000 -104.13290 -97.29755 6.83534 2.83059 -96.93881 1182.54203
855.0000 -107.07953 -100.18396 6.89558 2.62719 -99.51215 1048.39111
860.0000 -105.88131 -97.76671 8.11460 2.73684 -98.12491 1140.98032
865.0000 -104.93136 -97.55941 7.37194 2.74087 -98.07387 1119.46446
870.0000 -102.40243 -96.80250 5.59993 2.78390 -97.52955 1134.86607
875.0000 -103.07325 -95.55873 7.51452 2.90834 -95.95511 1228.94000
880.0000 -105.74228 -99.18975 6.55254 2.83738 -96.85293 1200.01450
885.0000 -105.33456 -98.77365 6.56091 2.60165 -99.83528 1038.57017
890.0000 -103.11315 -96.69148 6.42167 2.79062 -97.44448 1147.54460
895.0000 -102.03278 -95.37693 6.65585 2.80402 -97.27503 1116.03416
900.0000 -103.42216 -98.28961 5.13255 2.78060 -97.57127 1109.34894
905.0000 -104.30696 -97.56906 6.73790 2.70541 -98.52250 1060.59455
910.0000 -103.84821 -98.55589 5.29231 2.78012 -97.57739 1155.83038
915.0000 -104.91432 -99.98301 4.93131 2.66809 -98.99467 1006.96791
920.0000 -104.14087 -98.55165 5.58921 2.68441 -98.78824 1004.90380
925.0000 -105.21809 -99.10493 6.11316 2.70787 -98.49142 1026.07616
930.0000 -106.14020 -100.48664 5.65356 2.65350 -99.17928 1005.80518
935.0000 -104.70769 -98.87894 5.82875 2.66800 -98.99579 1025.67810
940.0000 -104.82580 -99.28635 5.53945 2.62206 -99.57700 1028.81677
945.0000 -104.82708 -100.47318 4.35391 2.64183 -99.32698 1036.48260
950.0000 -105.01267 -99.46599 5.54667 2.60491 -99.79397 1031.00018
955.0000 -104.69456 -97.69497 6.99959 2.68402 -98.79317 1091.55244
960.0000 -105.78579 -98.88032 6.90547 2.71813 -98.36162 1117.63495
965.0000 -105.34574 -98.76021 6.58553 2.66292 -99.06013 1052.61147
970.0000 -103.95062 -98.05356 5.89707 2.67565 -98.89904 1055.80129
975.0000 -104.97678 -98.86748 6.10930 2.71772 -98.36685 1105.91558
980.0000 -103.61032 -97.36650 6.24382 2.70088 -98.57988 1119.47922
985.0000 -104.75632 -97.69334 7.06298 2.79610 -97.37519 1135.40850
990.0000 -103.99615 -97.78144 6.21472 2.73968 -98.08895 1124.70706
995.0000 -104.13252 -98.16157 5.97095 2.83583 -96.87256 1194.01920
1000.0000 -103.10699 -96.27984 6.82715 2.78162 -97.55841 1137.84379
FREEZING PROCESS: loop number 5 T-loop= 1074.0000000000000
main_MD> interactions number 5 at Temperature= 1074.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.44978 0.87660 -0.10946
force_rgl> df(natom) 2.44156 1.49325 -1.47848
1005.0000 -104.24317 -98.42338 5.81978 2.80634 -97.24555 1152.98992
1010.0000 -104.62712 -97.78460 6.84253 2.73368 -98.16484 1048.18041
1015.0000 -105.33473 -98.59251 6.74222 2.66638 -99.01636 1035.71315
1020.0000 -102.92546 -95.99426 6.93121 2.78989 -97.45375 1140.31811
1025.0000 -104.32060 -97.55315 6.76745 2.87218 -96.41264 1210.63763
1030.0000 -103.22754 -96.72723 6.50031 2.76420 -97.77879 1087.33157
1035.0000 -104.97402 -98.83677 6.13725 2.79826 -97.34783 1099.90100
1040.0000 -106.15089 -99.44141 6.70948 2.64142 -99.33206 1054.29767
1045.0000 -106.08926 -99.24207 6.84719 2.70122 -98.57560 1102.94605
1050.0000 -105.45160 -98.95355 6.49805 2.66358 -99.05170 1041.77903
1055.0000 -103.32168 -98.11121 5.21047 2.73850 -98.10385 1074.42601
1060.0000 -104.96196 -97.34687 7.61509 2.79415 -97.39980 1137.13646
1065.0000 -104.67545 -98.37293 6.30252 2.73172 -98.18968 1130.14745
1070.0000 -103.77874 -98.28659 5.49215 2.70818 -98.48749 1067.58782
1075.0000 -105.44217 -99.31557 6.12660 2.71512 -98.39970 1055.20837
1080.0000 -103.94565 -97.60551 6.34014 2.66683 -99.01059 1016.90544
1085.0000 -102.69779 -95.52556 7.17223 2.93018 -95.67884 1262.36179
1090.0000 -103.68869 -96.45614 7.23255 2.84455 -96.76226 1164.25918
1095.0000 -104.40886 -97.87832 6.53054 2.81248 -97.16794 1138.91589
1100.0000 -105.01730 -98.11111 6.90619 2.80038 -97.32102 1128.80645
1105.0000 -104.62105 -95.87600 8.74505 2.80341 -97.28265 1116.15531
1110.0000 -101.90447 -96.37319 5.53127 2.91662 -95.85040 1249.18404
1115.0000 -103.68522 -97.26850 6.41672 2.75866 -97.84887 1113.88191
1120.0000 -105.05569 -98.68367 6.37202 2.77711 -97.61545 1147.72355
1125.0000 -105.23374 -99.95567 5.27807 2.70894 -98.47785 1072.22847
1130.0000 -105.79128 -99.61961 6.17167 2.66706 -99.00777 999.08220
1135.0000 -106.30423 -99.49533 6.80890 2.65547 -99.15434 1050.59172
1140.0000 -104.13758 -98.29915 5.83843 2.69276 -98.68263 1111.32528
1145.0000 -104.05925 -97.57170 6.48755 2.74867 -97.97518 1095.60441
1150.0000 -103.68027 -97.58594 6.09433 2.77398 -97.65503 1107.28988
1155.0000 -105.63525 -98.47542 7.15983 2.78837 -97.47293 1157.13761
1160.0000 -103.94094 -95.64523 8.29572 2.75656 -97.87541 1151.18805
1165.0000 -103.96962 -98.36119 5.60844 2.80020 -97.32326 1177.79417
1170.0000 -104.24038 -97.29289 6.94749 2.81333 -97.15714 1185.28390
1175.0000 -103.06717 -97.22195 5.84522 2.79173 -97.43048 1154.28912
1180.0000 -103.01956 -96.23386 6.78571 2.85363 -96.64735 1171.25149
1185.0000 -103.96012 -96.10530 7.85482 2.90144 -96.04247 1175.37714
1190.0000 -105.38761 -98.29633 7.09128 2.80700 -97.23729 1182.08274
1195.0000 -104.20413 -97.69488 6.50925 2.70290 -98.55425 1096.54399
1200.0000 -104.14642 -98.61731 5.52911 2.77120 -97.69021 1128.50916
1205.0000 -105.55518 -99.58909 5.96609 2.70061 -98.58332 1102.47618
1210.0000 -104.33537 -97.88479 6.45058 2.66031 -99.09309 1085.37559
1215.0000 -103.90108 -98.41164 5.48945 2.77910 -97.59019 1166.16970
1220.0000 -104.87947 -99.07354 5.80593 2.68427 -98.78998 1056.24886
1225.0000 -106.68933 -100.31537 6.37396 2.63183 -99.45344 1046.31177
1230.0000 -105.10030 -99.17208 5.92822 2.60027 -99.85266 984.93036
1235.0000 -104.05367 -98.70529 5.34838 2.68114 -98.82953 1037.12168
1240.0000 -104.55863 -98.00963 6.54899 2.71342 -98.42115 1075.02801
1245.0000 -106.07132 -99.10472 6.96660 2.67850 -98.86301 1079.65086
1250.0000 -103.61545 -96.98847 6.62698 2.72089 -98.32663 1097.43754
FREEZING PROCESS: loop number 6 T-loop= 1049.0000000000000
main_MD> interactions number 6 at Temperature= 1049.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.42291 0.63573 1.72761
force_rgl> df(natom) 1.78861 0.04021 -1.86510
1255.0000 -103.99610 -98.63810 5.35800 2.85833 -96.58790 1193.23903
1260.0000 -104.80562 -98.43502 6.37061 2.72242 -98.30733 1091.16926
1265.0000 -105.55167 -100.98504 4.56662 2.63666 -99.39233 1021.94618
1270.0000 -104.30903 -98.06264 6.24639 2.58393 -100.05949 951.92753
1275.0000 -104.84219 -97.53222 7.30997 2.77828 -97.60056 1101.17737
1280.0000 -105.04849 -99.12257 5.92593 2.65624 -99.14454 1054.89887
1285.0000 -105.72018 -99.40482 6.31537 2.66258 -99.06439 1046.86983
1290.0000 -106.34347 -99.75523 6.58825 2.67594 -98.89536 1052.70047
1295.0000 -105.63019 -100.32566 5.30452 2.57942 -100.11644 989.11288
1300.0000 -104.86376 -99.23064 5.63312 2.63287 -99.44025 1032.48181
1305.0000 -105.63988 -99.87042 5.76946 2.64078 -99.34021 1022.75113
1310.0000 -104.46888 -98.78377 5.68511 2.68768 -98.74682 1054.45436
1315.0000 -104.32339 -98.18896 6.13443 2.71940 -98.34550 1064.93130
1320.0000 -103.75812 -98.08322 5.67490 2.77773 -97.60761 1160.08125
1325.0000 -105.23667 -97.86007 7.37660 2.64718 -99.25923 1043.80607
1330.0000 -104.48001 -99.36442 5.11558 2.69677 -98.63182 1091.33853
1335.0000 -105.67567 -98.28753 7.38814 2.64107 -99.33648 1013.95257
1340.0000 -105.22930 -99.31942 5.90989 2.68222 -98.81596 1045.40968
1345.0000 -105.26973 -98.88857 6.38115 2.64190 -99.32605 1064.54885
1350.0000 -104.51582 -98.74598 5.76984 2.63597 -99.40107 1038.01250
1355.0000 -104.61490 -98.14653 6.46836 2.78691 -97.49147 1135.66288
1360.0000 -105.34902 -99.64602 5.70300 2.61967 -99.60725 1023.36242
1365.0000 -105.24995 -97.76634 7.48361 2.71138 -98.44706 1093.69229
1370.0000 -105.08581 -98.62443 6.46138 2.75926 -97.84123 1170.02032
1375.0000 -106.35029 -100.44836 5.90193 2.63795 -99.37606 1043.57707
1380.0000 -104.97648 -99.76661 5.20987 2.60271 -99.82178 1055.61655
1385.0000 -103.70272 -97.41695 6.28577 2.72977 -98.21440 1084.85505
1390.0000 -105.26289 -99.95169 5.31120 2.64903 -99.23583 983.97815
1395.0000 -108.16710 -100.57829 7.58882 2.61559 -99.65887 1040.89553
1400.0000 -104.45613 -98.47745 5.97868 2.63204 -99.45072 1029.58921
1405.0000 -107.10632 -100.36946 6.73686 2.63151 -99.45751 966.39449
1410.0000 -105.37420 -97.12264 8.25155 2.76279 -97.79659 1097.48006
1415.0000 -105.40883 -98.84873 6.56010 2.72123 -98.32242 1100.59711
1420.0000 -104.42219 -97.31444 7.10775 2.74810 -97.98239 1146.86391
1425.0000 -104.06985 -97.49854 6.57132 2.77024 -97.70233 1127.46709
1430.0000 -105.07498 -99.05356 6.02142 2.75044 -97.95286 1159.32697
1435.0000 -105.45985 -98.58107 6.87878 2.62018 -99.60087 1022.33452
1440.0000 -104.83687 -97.89856 6.93831 2.74011 -98.08355 1099.70918
1445.0000 -105.57491 -99.78391 5.79100 2.63526 -99.41008 1048.88869
1450.0000 -104.87538 -99.26657 5.60881 2.61262 -99.69643 1026.03994
1455.0000 -105.04341 -99.58261 5.46080 2.58132 -100.09247 990.23543
1460.0000 -104.20579 -99.00800 5.19779 2.64908 -99.23513 1025.65541
1465.0000 -105.45276 -99.80848 5.64428 2.59742 -99.88877 986.39273
1470.0000 -105.24958 -99.68078 5.56880 2.62551 -99.53340 1033.45932
1475.0000 -103.20165 -97.06367 6.13798 2.73404 -98.16033 1068.85038
1480.0000 -103.50323 -96.46837 7.03485 2.89241 -96.15673 1211.49431
1485.0000 -105.43823 -98.79846 6.63977 2.78185 -97.55546 1134.88066
1490.0000 -105.84646 -99.36995 6.47651 2.66676 -99.01150 1047.17376
1495.0000 -104.56731 -98.88426 5.68305 2.70614 -98.51334 1124.23462
1500.0000 -105.24841 -97.29110 7.95730 2.77288 -97.66888 1118.77397
FREEZING PROCESS: loop number 7 T-loop= 1024.0000000000000
main_MD> interactions number 7 at Temperature= 1024.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25461 -0.89703 -3.70529
force_rgl> df(natom) -0.61472 -1.27013 -3.16868
1505.0000 -104.27441 -99.36907 4.90533 2.74318 -98.04473 1079.41024
1510.0000 -106.03470 -99.01339 7.02131 2.62252 -99.57121 958.28019
1515.0000 -103.01562 -96.90308 6.11253 2.75105 -97.94516 1114.15701
1520.0000 -104.01031 -96.25718 7.75313 2.86700 -96.47812 1204.60357
1525.0000 -104.16035 -97.03465 7.12571 2.83638 -96.86553 1223.60594
1530.0000 -104.29521 -99.40104 4.89417 2.76084 -97.82129 1123.97410
1535.0000 -105.62061 -97.79288 7.82774 2.69435 -98.66243 1064.91391
1540.0000 -104.80132 -97.06431 7.73701 2.78307 -97.54003 1125.86177
1545.0000 -105.34647 -99.88667 5.45980 2.73060 -98.20381 1079.63537
1550.0000 -105.35306 -100.17649 5.17657 2.57714 -100.14538 999.77071
1555.0000 -107.24871 -99.84682 7.40188 2.58410 -100.05732 1014.05092
1560.0000 -105.99320 -99.96582 6.02738 2.66309 -99.05795 1059.19347
1565.0000 -104.93557 -97.55738 7.37819 2.75543 -97.88970 1109.47543
1570.0000 -104.01200 -96.93910 7.07290 2.78667 -97.49444 1122.89919
1575.0000 -105.12062 -99.04668 6.07393 2.74357 -98.03974 1082.91647
1580.0000 -105.81577 -100.16471 5.65106 2.59953 -99.86206 1008.22706
1585.0000 -104.61794 -99.59256 5.02538 2.60007 -99.85521 1028.49471
1590.0000 -105.21864 -99.97403 5.24461 2.65663 -99.13966 1020.02366
1595.0000 -106.15024 -100.22715 5.92308 2.55901 -100.37474 950.62608
1600.0000 -106.15399 -98.66733 7.48666 2.61460 -99.67144 1035.61787
1605.0000 -103.90060 -97.38166 6.51894 2.70404 -98.53982 1093.65744
1610.0000 -104.59951 -97.59396 7.00555 2.76673 -97.74679 1147.53694
1615.0000 -105.48197 -99.53041 5.95156 2.70621 -98.51247 1060.85125
1620.0000 -106.17550 -99.57356 6.60194 2.66179 -99.07437 1022.37984
1625.0000 -104.58696 -99.79754 4.78942 2.64722 -99.25870 1034.51771
1630.0000 -105.17412 -99.47194 5.70218 2.59126 -99.96669 977.92131
1635.0000 -105.09607 -99.39167 5.70439 2.60150 -99.83710 1003.17522
1640.0000 -105.55137 -99.62555 5.92582 2.60059 -99.84871 998.33259
1645.0000 -105.53671 -100.37936 5.15735 2.61050 -99.72332 990.66101
1650.0000 -104.55078 -98.27634 6.27444 2.64197 -99.32510 1045.67504
1655.0000 -105.65091 -99.74687 5.90405 2.68291 -98.80721 1013.13134
1660.0000 -104.96441 -100.75353 4.21088 2.55739 -100.39522 987.42887
1665.0000 -106.45833 -101.44700 5.01133 2.49294 -101.21056 909.53699
1670.0000 -106.87874 -101.01225 5.86649 2.47893 -101.38784 917.49562
1675.0000 -105.16094 -98.20933 6.95161 2.67015 -98.96867 1058.22543
1680.0000 -105.07519 -99.37198 5.70321 2.66486 -99.03557 1044.23885
1685.0000 -104.98876 -99.50837 5.48039 2.62089 -99.59186 1008.43745
1690.0000 -106.56485 -100.27254 6.29232 2.60744 -99.76201 1026.46002
1695.0000 -102.64099 -98.12043 4.52056 2.70244 -98.56011 1109.29369
1700.0000 -105.71610 -100.37597 5.34013 2.64497 -99.28722 1040.65989
1705.0000 -105.19458 -99.08341 6.11116 2.68503 -98.78032 1056.53382
1710.0000 -105.69353 -100.42400 5.26953 2.61976 -99.60611 1010.96298
1715.0000 -104.64868 -98.76291 5.88577 2.62601 -99.52710 1002.58146
1720.0000 -106.63327 -100.02716 6.60611 2.64952 -99.22957 1048.08750
1725.0000 -106.54727 -100.64411 5.90316 2.59691 -99.89528 954.66330
1730.0000 -106.17136 -100.34290 5.82846 2.50289 -101.08472 929.27179
1735.0000 -105.58292 -99.54455 6.03837 2.63213 -99.44967 1051.38815
1740.0000 -106.10229 -99.74949 6.35280 2.64582 -99.27645 1060.76507
1745.0000 -106.59997 -100.53688 6.06309 2.55126 -100.47274 981.06665
1750.0000 -106.59730 -101.55602 5.04128 2.50170 -101.09974 872.97909
FREEZING PROCESS: loop number 8 T-loop= 999.00000000000000
main_MD> interactions number 8 at Temperature= 999.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.37018 1.20788 1.70391
force_rgl> df(natom) -5.28936 1.52479 -2.62608
1755.0000 -106.75693 -100.72134 6.03559 2.45451 -101.69674 865.04337
1760.0000 -106.39460 -101.09804 5.29656 2.57190 -100.21161 973.54220
1765.0000 -104.82614 -99.42935 5.39679 2.58618 -100.03099 987.58792
1770.0000 -105.11439 -99.21793 5.89645 2.66593 -99.02202 1028.30757
1775.0000 -105.96798 -99.13332 6.83465 2.63897 -99.36315 995.96031
1780.0000 -105.23836 -99.19380 6.04456 2.67164 -98.94973 1025.16026
1785.0000 -105.18003 -100.03181 5.14823 2.59484 -99.92142 983.89683
1790.0000 -105.19754 -99.00309 6.19445 2.60034 -99.85188 1012.01867
1795.0000 -104.48129 -98.01457 6.46672 2.75289 -97.92186 1102.16574
1800.0000 -104.85971 -98.38640 6.47331 2.72255 -98.30563 1086.40598
1805.0000 -106.28052 -101.14531 5.13521 2.58443 -100.05305 1020.74486
1810.0000 -106.31925 -100.09284 6.22640 2.51899 -100.88102 916.23321
1815.0000 -105.99301 -100.80947 5.18354 2.55179 -100.46608 972.02552
1820.0000 -105.73933 -99.75973 5.97960 2.60744 -99.76201 993.26164
1825.0000 -106.10016 -100.19240 5.90776 2.62618 -99.52497 1015.79077
1830.0000 -106.74998 -101.11287 5.63711 2.50926 -101.00410 911.05667
1835.0000 -106.31324 -101.11175 5.20150 2.51153 -100.97535 944.57247
1840.0000 -106.37183 -100.20678 6.16505 2.56505 -100.29830 1003.72878
1845.0000 -106.97310 -101.07825 5.89485 2.50997 -100.99519 927.65376
1850.0000 -107.08088 -100.71915 6.36173 2.45811 -101.65119 934.64248
1855.0000 -105.73304 -100.36523 5.36781 2.47434 -101.44592 927.86166
1860.0000 -104.02815 -98.69179 5.33636 2.59278 -99.94744 1010.29631
1865.0000 -104.99016 -99.20325 5.78691 2.69388 -98.66840 1062.85253
1870.0000 -105.06263 -99.57128 5.49135 2.62400 -99.55254 1007.15623
1875.0000 -104.48461 -98.99698 5.48763 2.66677 -99.01145 1016.09104
1880.0000 -105.58636 -99.52371 6.06265 2.63533 -99.40912 1006.50530
1885.0000 -103.99944 -97.90004 6.09940 2.65240 -99.19320 1051.83760
1890.0000 -105.87266 -98.51794 7.35472 2.70465 -98.53221 1059.64645
1895.0000 -104.18815 -98.17263 6.01552 2.70748 -98.49639 1072.12504
1900.0000 -103.87804 -96.48864 7.38940 2.83398 -96.89596 1138.12216
1905.0000 -102.43608 -97.24025 5.19583 2.82586 -96.99870 1149.82653
1910.0000 -105.65376 -99.43667 6.21709 2.70469 -98.53159 1059.14652
1915.0000 -104.38385 -98.94708 5.43677 2.67735 -98.87758 999.06123
1920.0000 -104.60878 -97.50524 7.10354 2.77132 -97.68867 1083.42789
1925.0000 -103.68724 -96.94876 6.73848 2.72824 -98.23371 1079.38359
1930.0000 -104.92933 -99.45207 5.47725 2.77777 -97.60705 1113.54976
1935.0000 -105.84988 -99.84263 6.00725 2.64578 -99.27700 1019.93520
1940.0000 -105.12163 -99.51783 5.60380 2.65373 -99.17637 1052.67129
1945.0000 -107.60168 -101.72744 5.87425 2.53944 -100.62227 933.27235
1950.0000 -107.73327 -101.20076 6.53251 2.48302 -101.33609 900.82374
1955.0000 -106.20366 -100.07550 6.12816 2.49409 -101.19606 957.37061
1960.0000 -105.49997 -99.80494 5.69503 2.59033 -99.97842 1033.66078
1965.0000 -106.82105 -100.97994 5.84111 2.53621 -100.66310 980.98054
1970.0000 -107.17054 -100.58050 6.59004 2.58980 -99.98514 1011.49712
1975.0000 -106.01490 -100.20879 5.80610 2.52453 -100.81089 922.32988
1980.0000 -105.80940 -99.68575 6.12365 2.55857 -100.38034 924.98828
1985.0000 -104.60897 -98.90072 5.70825 2.63544 -99.40777 1018.83874
1990.0000 -105.74126 -99.71065 6.03061 2.62910 -99.48798 975.13988
1995.0000 -104.85753 -98.51192 6.34560 2.62790 -99.50315 988.53754
2000.0000 -106.06720 -99.73474 6.33246 2.64402 -99.29915 1063.19636
FREEZING PROCESS: loop number 9 T-loop= 974.00000000000000
main_MD> interactions number 9 at Temperature= 974.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.97723 1.54396 -3.23228
force_rgl> df(natom) 5.58199 0.92461 -1.84042
2005.0000 -106.36122 -99.84505 6.51617 2.60250 -99.82444 1023.55862
2010.0000 -104.51869 -99.61932 4.89937 2.60170 -99.83461 979.91824
2015.0000 -106.97046 -100.77406 6.19640 2.59828 -99.87785 987.97484
2020.0000 -105.74116 -100.70773 5.03344 2.52768 -100.77108 963.64118
2025.0000 -105.06614 -99.04945 6.01670 2.62477 -99.54274 1036.70508
2030.0000 -105.21692 -100.49781 4.71911 2.55339 -100.44581 967.46537
2035.0000 -106.87063 -100.06519 6.80544 2.53825 -100.63733 965.68996
2040.0000 -105.41186 -99.41086 6.00100 2.52852 -100.76047 955.73772
2045.0000 -105.85948 -100.27525 5.58424 2.56432 -100.30749 934.74707
2050.0000 -105.25243 -99.33659 5.91583 2.61452 -99.67247 1014.52885
2055.0000 -104.61978 -99.48412 5.13565 2.68836 -98.73824 1064.75862
2060.0000 -105.31599 -99.94907 5.36692 2.62518 -99.53760 1002.82097
2065.0000 -106.35870 -101.32271 5.03598 2.46701 -101.53862 909.17540
2070.0000 -105.53656 -99.27379 6.26278 2.61532 -99.66225 1034.97788
2075.0000 -105.44175 -99.18159 6.26016 2.66062 -99.08925 1041.63791
2080.0000 -106.30011 -100.31283 5.98728 2.57128 -100.21947 994.38964
2085.0000 -105.53158 -100.15851 5.37307 2.61119 -99.71450 1019.49282
2090.0000 -106.26882 -101.19382 5.07501 2.51649 -100.91261 928.97385
2095.0000 -105.17814 -100.16473 5.01340 2.52556 -100.79786 914.24844
2100.0000 -105.14069 -98.72902 6.41167 2.70252 -98.55904 1064.95462
2105.0000 -105.85548 -99.56723 6.28824 2.62981 -99.47899 1030.89157
2110.0000 -105.47949 -99.96931 5.51018 2.53756 -100.64607 938.89420
2115.0000 -104.88278 -100.03789 4.84489 2.55060 -100.48112 959.75692
2120.0000 -105.79765 -101.10430 4.69336 2.59357 -99.93745 956.60570
2125.0000 -106.73823 -100.72112 6.01711 2.52616 -100.79037 941.16150
2130.0000 -106.13026 -99.94504 6.18522 2.63081 -99.46633 1029.83472
2135.0000 -105.56536 -99.57696 5.98840 2.56483 -100.30104 985.98677
2140.0000 -106.31464 -99.53654 6.77810 2.58555 -100.03900 967.73648
2145.0000 -105.83121 -99.82177 6.00944 2.55868 -100.37886 924.17304
2150.0000 -105.49575 -100.84926 4.64650 2.59564 -99.91126 1001.80635
2155.0000 -106.19118 -100.51516 5.67602 2.50468 -101.06205 849.77999
2160.0000 -104.37119 -99.01376 5.35743 2.61402 -99.67877 989.38339
2165.0000 -106.43521 -100.98249 5.45272 2.55336 -100.44613 942.17296
2170.0000 -104.85232 -100.49798 4.35434 2.46597 -101.55181 919.54138
2175.0000 -107.14821 -102.08445 5.06376 2.47239 -101.47064 849.19602
2180.0000 -107.40164 -101.56408 5.83756 2.39953 -102.39240 849.91769
2185.0000 -105.76990 -100.63592 5.13398 2.54087 -100.60418 920.13954
2190.0000 -104.47726 -99.47160 5.00567 2.61375 -99.68219 1020.89567
2195.0000 -106.76897 -101.04385 5.72511 2.55618 -100.41056 952.90651
2200.0000 -107.63286 -102.26546 5.36739 2.46725 -101.53557 903.45274
2205.0000 -105.77460 -100.99535 4.77925 2.44555 -101.81009 886.61828
2210.0000 -105.37951 -99.87260 5.50691 2.56863 -100.25294 958.32189
2215.0000 -104.48818 -99.46553 5.02265 2.65971 -99.10071 1007.57507
2220.0000 -106.01943 -99.80556 6.21387 2.60738 -99.76270 999.70548
2225.0000 -107.13057 -100.81273 6.31784 2.57742 -100.14184 979.66443
2230.0000 -105.94499 -100.58486 5.36013 2.55865 -100.37931 962.24159
2235.0000 -105.57238 -100.24771 5.32467 2.57453 -100.17830 971.33093
2240.0000 -106.33520 -100.61429 5.72091 2.55630 -100.40898 927.19269
2245.0000 -105.04920 -99.55920 5.49000 2.58045 -100.10349 995.14671
2250.0000 -105.31324 -99.66426 5.64898 2.52205 -100.84237 905.77080
FREEZING PROCESS: loop number 10 T-loop= 949.00000000000000
main_MD> interactions number 10 at Temperature= 949.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36054 -0.51679 -0.54964
force_rgl> df(natom) -3.21962 -0.29865 -3.66370
2255.0000 -102.80807 -97.49336 5.31471 2.68018 -98.84170 1054.02297
2260.0000 -104.85491 -98.87602 5.97888 2.73630 -98.13169 1059.28227
2265.0000 -105.57536 -99.46927 6.10609 2.65827 -99.11888 1041.98671
2270.0000 -106.79546 -100.64874 6.14672 2.57153 -100.21627 896.11338
2275.0000 -105.69314 -100.98946 4.70368 2.49853 -101.13993 934.48226
2280.0000 -105.55389 -99.63178 5.92211 2.54420 -100.56203 979.20485
2285.0000 -106.28359 -101.24153 5.04206 2.57831 -100.13050 957.47315
2290.0000 -105.82390 -101.09906 4.72485 2.52610 -100.79104 893.23657
2295.0000 -105.76076 -101.07174 4.68901 2.47172 -101.47903 859.39657
2300.0000 -106.54581 -100.26772 6.27808 2.55071 -100.47968 969.83338
2305.0000 -107.36776 -102.14900 5.21875 2.47536 -101.43298 926.49303
2310.0000 -106.22815 -100.44968 5.77847 2.54897 -100.50171 959.59108
2315.0000 -105.77482 -100.94780 4.82702 2.52988 -100.74323 971.09066
2320.0000 -105.76413 -99.66370 6.10043 2.53066 -100.73336 905.24622
2325.0000 -104.64843 -98.88202 5.76641 2.59910 -99.86750 992.40620
2330.0000 -105.44712 -100.40197 5.04515 2.64524 -99.28374 1014.74417
2335.0000 -106.86134 -101.38738 5.47396 2.55247 -100.45749 1016.42566
2340.0000 -104.26344 -98.19634 6.06710 2.55880 -100.37731 949.53044
2345.0000 -104.16257 -98.83483 5.32775 2.71792 -98.36432 1084.25910
2350.0000 -105.81464 -100.38932 5.42532 2.58408 -100.05760 959.22198
2355.0000 -105.67999 -100.47626 5.20373 2.52326 -100.82699 896.82818
2360.0000 -104.40248 -99.91347 4.48901 2.55095 -100.47662 945.71430
2365.0000 -105.84874 -100.13869 5.71005 2.62197 -99.57814 985.70124
2370.0000 -105.06386 -100.00147 5.06238 2.60760 -99.75997 966.85891
2375.0000 -106.63489 -99.82291 6.81198 2.55770 -100.39134 927.86153
2380.0000 -108.12242 -103.02868 5.09374 2.47151 -101.48170 897.46627
2385.0000 -105.57770 -100.62501 4.95268 2.41401 -102.20923 836.53495
2390.0000 -105.51436 -100.33311 5.18125 2.51273 -100.96019 960.68165
2395.0000 -105.41690 -100.50634 4.91055 2.53242 -100.71111 894.78643
2400.0000 -106.06846 -100.85533 5.21313 2.54507 -100.55111 957.49227
2405.0000 -105.60287 -99.96826 5.63461 2.57975 -100.11226 1018.61052
2410.0000 -105.23302 -100.10388 5.12914 2.61888 -99.61721 1036.49943
2415.0000 -104.30237 -98.98942 5.31295 2.64270 -99.31592 995.51493
2420.0000 -107.14846 -100.92197 6.22650 2.59087 -99.97168 976.78956
2425.0000 -106.84397 -101.43927 5.40470 2.52924 -100.75135 941.30801
2430.0000 -106.10012 -99.46661 6.63351 2.53986 -100.61698 939.21738
2435.0000 -106.20879 -100.13595 6.07283 2.56876 -100.25133 968.66535
2440.0000 -105.38788 -100.12726 5.26063 2.59028 -99.97910 981.99710
2445.0000 -105.77931 -100.30599 5.47333 2.57350 -100.19143 973.00559
2450.0000 -104.61834 -98.64738 5.97096 2.61162 -99.70908 985.60926
2455.0000 -105.30976 -99.04856 6.26119 2.69734 -98.62457 1054.62800
2460.0000 -106.87220 -100.49243 6.37977 2.56883 -100.25050 1001.03344
2465.0000 -106.66968 -101.10515 5.56453 2.51003 -100.99437 970.15630
2470.0000 -107.39570 -102.10524 5.29046 2.49384 -101.19919 933.80683
2475.0000 -105.30136 -98.07743 7.22393 2.59898 -99.86900 1005.67706
2480.0000 -105.23236 -98.35631 6.87605 2.74912 -97.96953 1109.88025
2485.0000 -105.05042 -99.81305 5.23737 2.69283 -98.68164 1095.41571
2490.0000 -106.46654 -100.48322 5.98332 2.59232 -99.95324 995.79113
2495.0000 -106.95826 -100.37823 6.58002 2.51159 -100.97459 919.93154
2500.0000 -107.33601 -102.59478 4.74123 2.41991 -102.13458 869.81637
FREEZING PROCESS: loop number 11 T-loop= 924.00000000000000
main_MD> interactions number 11 at Temperature= 924.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.73570 2.16399 -2.84094
force_rgl> df(natom) 1.29135 0.86254 0.19460
2505.0000 -108.56689 -101.77175 6.79513 2.39775 -102.41492 869.41396
2510.0000 -108.17108 -103.86154 4.30953 2.34613 -103.06802 796.76342
2515.0000 -106.20288 -101.09851 5.10437 2.40356 -102.34139 847.61925
2520.0000 -104.69534 -99.72448 4.97087 2.62190 -99.57912 994.00831
2525.0000 -106.05689 -100.33657 5.72032 2.62311 -99.56373 1017.48592
2530.0000 -106.32898 -100.65697 5.67201 2.60670 -99.77137 1020.61702
2535.0000 -106.49501 -101.65543 4.83958 2.48108 -101.36065 916.69655
2540.0000 -106.13198 -100.28940 5.84258 2.51151 -100.97563 923.28200
2545.0000 -105.35226 -100.72778 4.62448 2.59187 -99.95892 1015.05071
2550.0000 -106.49659 -101.60724 4.88935 2.50262 -101.08812 912.95452
2555.0000 -106.97750 -101.99693 4.98057 2.43843 -101.90017 892.29967
2560.0000 -107.56761 -102.29735 5.27026 2.44713 -101.79016 896.18927
2565.0000 -106.87695 -101.91251 4.96444 2.40911 -102.27121 873.36243
2570.0000 -107.35248 -102.25007 5.10241 2.39027 -102.50957 853.29551
2575.0000 -107.95234 -102.65298 5.29936 2.40941 -102.26742 858.79304
2580.0000 -106.11764 -101.32430 4.79334 2.46670 -101.54262 882.64262
2585.0000 -106.60714 -100.60829 5.99885 2.51970 -100.87210 920.88981
2590.0000 -107.28406 -102.45519 4.82887 2.47159 -101.48074 907.37990
2595.0000 -107.30143 -102.02995 5.27148 2.44281 -101.84478 889.59086
2600.0000 -107.81656 -103.37420 4.44237 2.42881 -102.02195 815.77343
2605.0000 -106.77995 -101.99940 4.78054 2.35006 -103.01827 777.51459
2610.0000 -107.22500 -102.63832 4.58668 2.41789 -102.16006 876.38631
2615.0000 -106.90780 -102.21433 4.69347 2.42581 -102.05984 860.01226
2620.0000 -107.02778 -101.75995 5.26782 2.47423 -101.44735 890.90699
2625.0000 -107.23255 -102.21667 5.01589 2.46475 -101.56726 884.16638
2630.0000 -106.22545 -101.03457 5.19088 2.46983 -101.50302 890.20921
2635.0000 -105.70860 -100.31193 5.39667 2.54449 -100.55838 951.30818
2640.0000 -105.26412 -100.45354 4.81058 2.51978 -100.87102 926.05424
2645.0000 -106.65541 -101.65478 5.00062 2.42685 -102.04675 834.28834
2650.0000 -106.07870 -102.25069 3.82801 2.42148 -102.11466 813.11187
2655.0000 -107.23924 -102.17689 5.06235 2.45853 -101.64599 858.00187
2660.0000 -106.90418 -101.75944 5.14474 2.43138 -101.98939 850.92050
2665.0000 -107.91599 -102.14633 5.76966 2.43215 -101.97973 850.80831
2670.0000 -106.51996 -102.03967 4.48029 2.45628 -101.67434 896.68620
2675.0000 -107.82900 -102.64044 5.18857 2.37681 -102.67975 854.96115
2680.0000 -106.36723 -101.62708 4.74015 2.45224 -101.72552 858.65153
2685.0000 -107.99339 -103.25085 4.74254 2.41149 -102.24100 838.52752
2690.0000 -106.84553 -102.19707 4.64846 2.32990 -103.27326 757.24227
2695.0000 -107.29270 -101.96659 5.32611 2.47388 -101.45175 876.95708
2700.0000 -105.75011 -100.91562 4.83450 2.46626 -101.54813 890.15158
2705.0000 -106.22814 -101.01864 5.20950 2.45812 -101.65117 905.53628
2710.0000 -105.71997 -100.35747 5.36250 2.53714 -100.65138 910.12000
2715.0000 -107.93457 -103.02038 4.91419 2.43977 -101.88327 861.47088
2720.0000 -106.37083 -101.22922 5.14161 2.45480 -101.69317 884.31902
2725.0000 -105.23622 -99.54153 5.69469 2.64303 -99.31173 1026.31942
2730.0000 -105.95607 -100.57789 5.37818 2.58896 -99.99582 995.16663
2735.0000 -104.90966 -99.41737 5.49229 2.58954 -99.98843 985.57941
2740.0000 -106.54765 -101.72988 4.81778 2.55838 -100.38262 991.81188
2745.0000 -105.78390 -100.07624 5.70766 2.49083 -101.23724 929.72771
2750.0000 -105.12560 -99.28317 5.84243 2.61825 -99.62523 1007.84796
FREEZING PROCESS: loop number 12 T-loop= 899.00000000000000
main_MD> interactions number 12 at Temperature= 899.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19162 0.67548 1.62086
force_rgl> df(natom) 0.83091 -0.66618 -1.85304
2755.0000 -107.78633 -102.30515 5.48118 2.54358 -100.56996 952.73913
2760.0000 -108.05180 -101.85252 6.19928 2.42587 -102.05913 869.60358
2765.0000 -106.64932 -101.77685 4.87247 2.43224 -101.97856 890.25862
2770.0000 -106.24983 -100.11945 6.13038 2.50827 -101.01669 957.44216
2775.0000 -105.15216 -100.21278 4.93938 2.57855 -100.12754 976.24423
2780.0000 -107.63976 -102.12900 5.51076 2.49932 -101.12991 918.04199
2785.0000 -106.53525 -101.91342 4.62183 2.41507 -102.19576 834.08825
2790.0000 -107.65691 -102.21734 5.43957 2.44784 -101.78111 869.36422
2795.0000 -107.47700 -102.46493 5.01207 2.44512 -101.81564 897.12637
2800.0000 -107.67630 -103.64527 4.03102 2.35402 -102.96812 797.82434
2805.0000 -107.60654 -102.86399 4.74255 2.39571 -102.44073 851.05230
2810.0000 -106.97951 -102.20576 4.77375 2.41485 -102.19852 867.90064
2815.0000 -105.61167 -100.84260 4.76906 2.47005 -101.50013 886.48075
2820.0000 -106.92500 -102.16180 4.76320 2.51686 -100.90802 917.94993
2825.0000 -106.57567 -102.16063 4.41505 2.41241 -102.22948 853.66680
2830.0000 -106.23042 -101.63736 4.59306 2.44650 -101.79814 852.06090
2835.0000 -106.07983 -101.57424 4.50560 2.46930 -101.50967 900.88049
2840.0000 -107.26635 -102.62871 4.63764 2.43401 -101.95616 841.22554
2845.0000 -105.52088 -100.22463 5.29626 2.49042 -101.24253 893.32918
2850.0000 -105.73688 -99.97032 5.76656 2.54630 -100.53547 961.14642
2855.0000 -106.92692 -100.87207 6.05485 2.55490 -100.42676 977.61188
2860.0000 -106.65514 -101.27714 5.37800 2.43883 -101.89520 863.56210
2865.0000 -106.98480 -101.69080 5.29399 2.47409 -101.44905 877.11853
2870.0000 -107.91362 -103.28897 4.62465 2.36289 -102.85589 809.29960
2875.0000 -107.84750 -102.86340 4.98410 2.36217 -102.86502 808.33351
2880.0000 -107.63328 -101.66789 5.96540 2.38010 -102.63816 843.80083
2885.0000 -107.43574 -102.56137 4.87436 2.43776 -101.90867 828.32579
2890.0000 -107.11738 -101.61354 5.50384 2.47124 -101.48519 918.28638
2895.0000 -106.87758 -102.19333 4.68425 2.42994 -102.00760 891.21829
2900.0000 -106.46610 -101.11897 5.34713 2.44739 -101.78685 859.01173
2905.0000 -105.59394 -100.33657 5.25738 2.48890 -101.26173 892.91427
2910.0000 -107.00166 -102.87543 4.12624 2.45157 -101.73405 842.25307
2915.0000 -105.94913 -100.60534 5.34380 2.41891 -102.14720 836.56447
2920.0000 -105.47139 -100.25203 5.21936 2.52409 -100.81653 903.58907
2925.0000 -106.15095 -101.29184 4.85911 2.51594 -100.91966 892.80543
2930.0000 -105.73117 -99.93000 5.80118 2.51370 -100.94793 880.35494
2935.0000 -106.89308 -101.52256 5.37052 2.55007 -100.48777 946.89201
2940.0000 -107.48171 -101.48309 5.99862 2.48445 -101.31807 956.71345
2945.0000 -106.01444 -101.72654 4.28791 2.46067 -101.61883 874.25928
2950.0000 -107.08637 -103.05326 4.03311 2.37795 -102.66545 825.17880
2955.0000 -107.10404 -102.76072 4.34332 2.43349 -101.96271 845.25417
2960.0000 -107.06124 -100.95876 6.10249 2.44417 -101.82766 883.48406
2965.0000 -106.20714 -100.60421 5.60293 2.59307 -99.94379 997.07871
2970.0000 -105.04058 -100.45779 4.58278 2.49249 -101.21624 894.08714
2975.0000 -106.42163 -98.39063 8.03099 2.66656 -99.01409 1002.54494
2980.0000 -105.38744 -99.66168 5.72576 2.66587 -99.02280 1021.36957
2985.0000 -105.82048 -101.16651 4.65397 2.53424 -100.68810 922.84404
2990.0000 -107.23702 -100.74182 6.49520 2.50630 -101.04163 920.16194
2995.0000 -106.96695 -101.30441 5.66254 2.50592 -101.04639 887.30330
3000.0000 -106.57468 -100.68183 5.89285 2.49202 -101.22221 938.70576
FREEZING PROCESS: loop number 13 T-loop= 874.00000000000000
main_MD> interactions number 13 at Temperature= 874.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88098 -0.19231 -1.28004
force_rgl> df(natom) -1.48364 -2.91700 -3.25457
3005.0000 -106.21415 -100.82328 5.39087 2.51952 -100.87436 961.22918
3010.0000 -107.57644 -102.42264 5.15379 2.44980 -101.75636 864.93995
3015.0000 -107.05952 -102.45607 4.60345 2.45528 -101.68711 883.33377
3020.0000 -107.48380 -103.33694 4.14686 2.37017 -102.76377 851.35482
3025.0000 -107.52745 -103.45927 4.06818 2.33406 -103.22068 786.73404
3030.0000 -106.61225 -102.23826 4.37399 2.39135 -102.49592 814.52889
3035.0000 -106.75306 -101.61486 5.13820 2.43072 -101.99776 793.93169
3040.0000 -108.18153 -103.13757 5.04396 2.42889 -102.02097 859.75276
3045.0000 -105.32429 -100.85949 4.46480 2.41039 -102.25501 839.26462
3050.0000 -106.53188 -101.76561 4.76627 2.48685 -101.28766 897.41058
3055.0000 -105.85024 -101.22817 4.62208 2.48241 -101.34382 875.13940
3060.0000 -106.95840 -101.80811 5.15029 2.53510 -100.67719 930.99018
3065.0000 -105.91812 -100.23155 5.68658 2.53890 -100.62916 923.45910
3070.0000 -106.76309 -102.37195 4.39114 2.47687 -101.41397 935.70656
3075.0000 -105.51872 -100.36527 5.15345 2.47329 -101.45922 875.94185
3080.0000 -105.46972 -97.97565 7.49407 2.63870 -99.36655 994.72382
3085.0000 -105.01772 -98.87331 6.14441 2.73298 -98.17372 1091.41187
3090.0000 -105.70065 -99.42196 6.27868 2.64548 -99.28072 1008.98601
3095.0000 -106.51677 -100.68406 5.83270 2.54410 -100.56337 941.84115
3100.0000 -106.34624 -100.28828 6.05797 2.54009 -100.61405 961.69532
3105.0000 -106.61615 -102.32997 4.28618 2.51189 -100.97085 910.33803
3110.0000 -106.62187 -101.69093 4.93094 2.43898 -101.89331 897.80721
3115.0000 -106.30545 -101.42144 4.88401 2.47696 -101.41275 890.87329
3120.0000 -106.94729 -101.50154 5.44575 2.55070 -100.47981 939.19017
3125.0000 -106.24626 -101.45362 4.79265 2.47866 -101.39128 901.86334
3130.0000 -106.82724 -102.16157 4.66567 2.46327 -101.58595 894.80002
3135.0000 -107.58567 -101.93042 5.65524 2.43060 -101.99930 863.68136
3140.0000 -107.89206 -102.27624 5.61581 2.44214 -101.85334 906.50508
3145.0000 -107.43982 -102.27086 5.16897 2.38072 -102.63038 839.95633
3150.0000 -108.35556 -102.90502 5.45053 2.38311 -102.60011 831.57594
3155.0000 -107.58580 -102.89904 4.68675 2.32505 -103.33470 785.20464
3160.0000 -107.16353 -102.18953 4.97399 2.37498 -102.70299 824.79198
3165.0000 -106.74684 -102.02651 4.72033 2.40601 -102.31036 850.07225
3170.0000 -107.07089 -101.70227 5.36862 2.43260 -101.97396 862.90645
3175.0000 -106.61183 -101.86321 4.74862 2.53668 -100.65719 948.13490
3180.0000 -107.87542 -101.20155 6.67386 2.50013 -101.11958 901.59422
3185.0000 -106.56732 -101.74443 4.82289 2.48337 -101.33166 911.39919
3190.0000 -107.75623 -102.48653 5.26970 2.40063 -102.37850 836.28172
3195.0000 -108.20123 -103.81737 4.38386 2.29723 -103.68663 755.92746
3200.0000 -107.55408 -103.20723 4.34685 2.33335 -103.22962 783.74671
3205.0000 -107.33730 -102.70706 4.63024 2.42278 -102.09827 881.29662
3210.0000 -107.43144 -102.33045 5.10099 2.39534 -102.44533 841.26170
3215.0000 -106.24076 -102.02780 4.21296 2.41257 -102.22738 825.88467
3220.0000 -107.23785 -102.91268 4.32517 2.39316 -102.47300 812.30442
3225.0000 -107.20107 -102.21040 4.99068 2.40272 -102.35204 793.85085
3230.0000 -107.40728 -102.23004 5.17724 2.36433 -102.83767 773.51948
3235.0000 -107.07772 -101.89486 5.18285 2.43699 -101.91848 846.93933
3240.0000 -108.08640 -101.31816 6.76824 2.42186 -102.10988 861.77045
3245.0000 -107.01036 -103.13357 3.87680 2.43841 -101.90043 853.90043
3250.0000 -105.40056 -101.23848 4.16208 2.45105 -101.74059 858.68439
FREEZING PROCESS: loop number 14 T-loop= 849.00000000000000
main_MD> interactions number 14 at Temperature= 849.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.35633 2.03550 1.17052
force_rgl> df(natom) 0.18310 11.22630 -7.31240
3255.0000 -108.02487 -101.96873 6.05614 2.46354 -101.58259 858.76478
3260.0000 -107.13521 -101.45585 5.67935 2.47302 -101.46256 858.03285
3265.0000 -106.93264 -101.87686 5.05578 2.49863 -101.13859 920.58951
3270.0000 -107.42517 -101.63205 5.79311 2.47430 -101.44638 921.53100
3275.0000 -109.24784 -103.21516 6.03268 2.45458 -101.69585 917.58867
3280.0000 -106.97873 -103.16944 3.80929 2.36818 -102.78905 798.62869
3285.0000 -107.27250 -102.23767 5.03483 2.33589 -103.19746 773.36988
3290.0000 -106.13571 -100.97571 5.16000 2.46240 -101.59698 868.06724
3295.0000 -105.58185 -100.58086 5.00098 2.54728 -100.52308 937.80268
3300.0000 -107.10585 -102.61103 4.49482 2.46705 -101.53810 882.29361
3305.0000 -107.69314 -102.46971 5.22343 2.39743 -102.41888 814.05229
3310.0000 -106.75896 -102.09188 4.66708 2.42724 -102.04179 835.60799
3315.0000 -107.43061 -102.60112 4.82949 2.36408 -102.84081 801.80346
3320.0000 -107.50327 -102.60741 4.89586 2.39021 -102.51027 841.28758
3325.0000 -107.04786 -102.84837 4.19949 2.33105 -103.25868 791.75509
3330.0000 -107.12355 -103.63959 3.48397 2.32745 -103.30424 790.02114
3335.0000 -107.85707 -103.62814 4.22894 2.32570 -103.32637 800.45994
3340.0000 -107.33116 -102.07534 5.25582 2.40928 -102.26899 837.77173
3345.0000 -107.38971 -101.19505 6.19466 2.36882 -102.78095 803.29348
3350.0000 -106.60287 -101.23442 5.36846 2.51079 -100.98476 912.30550
3355.0000 -105.91412 -100.73597 5.17815 2.51469 -100.93540 909.32555
3360.0000 -105.98706 -100.52892 5.45814 2.51101 -100.98196 914.40719
3365.0000 -106.08618 -101.10849 4.97769 2.53489 -100.67987 950.10774
3370.0000 -107.20358 -102.64636 4.55723 2.39172 -102.49123 831.50016
3375.0000 -108.13315 -102.85578 5.27737 2.36073 -102.88328 833.97368
3380.0000 -106.99764 -102.89209 4.10555 2.36287 -102.85612 808.30526
3385.0000 -106.85773 -102.26171 4.59602 2.36346 -102.84868 785.20850
3390.0000 -106.80874 -102.21473 4.59401 2.42550 -102.06384 884.22895
3395.0000 -106.32025 -101.27952 5.04073 2.40190 -102.36241 841.62633
3400.0000 -106.36376 -102.71922 3.64454 2.42722 -102.04205 860.14714
3405.0000 -107.27288 -102.28135 4.99153 2.38644 -102.55797 812.22964
3410.0000 -106.20686 -101.69021 4.51665 2.42499 -102.07027 837.26803
3415.0000 -107.06633 -101.10117 5.96516 2.51036 -100.99026 921.95938
3420.0000 -106.57879 -100.77120 5.80759 2.53134 -100.72481 946.03328
3425.0000 -106.23981 -102.34739 3.89242 2.43933 -101.88890 871.25246
3430.0000 -108.73523 -103.91954 4.81569 2.34084 -103.13490 756.74416
3435.0000 -107.31720 -101.53291 5.78429 2.37986 -102.64116 856.29148
3440.0000 -105.38433 -101.20569 4.17864 2.45727 -101.66192 871.04333
3445.0000 -106.49408 -101.05524 5.43884 2.44895 -101.76717 889.15644
3450.0000 -107.99105 -102.51085 5.48020 2.40458 -102.32853 873.88208
3455.0000 -107.51390 -102.66789 4.84601 2.35251 -102.98718 808.94308
3460.0000 -106.67473 -101.58435 5.09037 2.38673 -102.55434 839.29320
3465.0000 -106.44078 -102.25453 4.18625 2.41582 -102.18630 847.32036
3470.0000 -106.05931 -100.34043 5.71888 2.48789 -101.27447 932.45588
3475.0000 -106.31598 -101.65088 4.66510 2.53766 -100.64478 943.85397
3480.0000 -106.87421 -101.26960 5.60461 2.39326 -102.47175 826.24202
3485.0000 -107.18502 -102.36684 4.81819 2.45057 -101.74662 900.01485
3490.0000 -109.07075 -104.35505 4.71570 2.36864 -102.78320 820.09635
3495.0000 -108.45565 -103.40960 5.04605 2.28574 -103.83203 750.96488
3500.0000 -106.64841 -102.22622 4.42219 2.36718 -102.80168 832.31356
FREEZING PROCESS: loop number 15 T-loop= 824.00000000000000
main_MD> interactions number 15 at Temperature= 824.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.37434 -2.21141 4.57719
force_rgl> df(natom) -4.43158 1.56702 2.22620
3505.0000 -107.28831 -102.62369 4.66461 2.37223 -102.73776 828.80862
3510.0000 -107.81445 -103.20786 4.60658 2.39002 -102.51269 800.11436
3515.0000 -107.98791 -103.09754 4.89036 2.35020 -103.01645 771.16790
3520.0000 -108.25945 -104.17239 4.08706 2.28737 -103.81130 769.38090
3525.0000 -108.75396 -103.42757 5.32639 2.29754 -103.68266 777.06662
3530.0000 -107.74158 -103.20125 4.54032 2.34847 -103.03842 834.91709
3535.0000 -107.39601 -102.25804 5.13797 2.39593 -102.43786 848.12243
3540.0000 -106.35095 -102.08459 4.26637 2.45178 -101.73135 876.22847
3545.0000 -108.43539 -104.24992 4.18547 2.36398 -102.84219 793.95811
3550.0000 -107.71062 -103.62024 4.09038 2.35517 -102.95356 837.49508
3555.0000 -107.05422 -102.07884 4.97537 2.36006 -102.89166 803.84084
3560.0000 -107.64023 -102.64288 4.99734 2.45791 -101.65377 876.55416
3565.0000 -106.75993 -101.56502 5.19491 2.36229 -102.86357 826.41770
3570.0000 -107.35253 -103.54510 3.80743 2.42539 -102.06524 862.08881
3575.0000 -107.72833 -102.24469 5.48363 2.34078 -103.13559 804.30292
3580.0000 -106.73034 -102.11583 4.61451 2.37128 -102.74975 836.90833
3585.0000 -109.21831 -104.12548 5.09283 2.32675 -103.31312 778.15573
3590.0000 -108.05794 -103.49877 4.55917 2.30020 -103.64906 774.64971
3595.0000 -107.21382 -102.38465 4.82917 2.36975 -102.76919 804.41711
3600.0000 -106.99057 -102.16116 4.82941 2.42071 -102.12442 824.69788
3605.0000 -107.94826 -104.31039 3.63786 2.37303 -102.72758 816.74689
3610.0000 -107.15968 -101.91491 5.24478 2.36313 -102.85289 835.64872
3615.0000 -106.91082 -102.26193 4.64889 2.46561 -101.55630 911.43036
3620.0000 -107.89304 -103.12176 4.77128 2.38198 -102.61434 827.37836
3625.0000 -105.46355 -100.90470 4.55885 2.43350 -101.96264 877.36182
3630.0000 -105.29670 -100.87261 4.42409 2.52295 -100.83091 952.67598
3635.0000 -106.61858 -102.37576 4.24282 2.47243 -101.47012 899.31280
3640.0000 -107.84438 -103.90796 3.93642 2.30675 -103.56612 786.51046
3645.0000 -108.71193 -105.04132 3.67061 2.25297 -104.24658 724.31426
3650.0000 -108.81916 -104.15472 4.66444 2.27799 -103.93008 753.11531
3655.0000 -109.09706 -104.16457 4.93249 2.28692 -103.81712 802.39036
3660.0000 -107.45151 -102.77342 4.67809 2.33232 -103.24272 794.44512
3665.0000 -107.93485 -102.60850 5.32635 2.33322 -103.23128 800.33366
3670.0000 -107.45030 -102.33504 5.11526 2.41370 -102.21309 871.04150
3675.0000 -107.21016 -102.68246 4.52771 2.40194 -102.36185 832.48664
3680.0000 -108.12942 -104.18068 3.94874 2.32426 -103.34469 771.37542
3685.0000 -107.97132 -103.16555 4.80577 2.31891 -103.41227 733.48959
3690.0000 -106.61674 -102.32493 4.29181 2.41248 -102.22847 795.57380
3695.0000 -107.31106 -101.68650 5.62456 2.41675 -102.17453 842.54828
3700.0000 -108.19944 -102.73990 5.45954 2.35642 -102.93781 821.78715
3705.0000 -107.77943 -103.26234 4.51710 2.36380 -102.84442 818.64539
3710.0000 -107.29899 -102.77178 4.52721 2.32172 -103.37682 779.24971
3715.0000 -107.98102 -103.43613 4.54489 2.32534 -103.33094 770.08569
3720.0000 -107.44399 -102.60013 4.84386 2.35322 -102.97826 808.21974
3725.0000 -107.78754 -102.98102 4.80652 2.37925 -102.64893 819.33600
3730.0000 -107.84990 -103.64314 4.20676 2.34087 -103.13446 801.33210
3735.0000 -108.53017 -104.58768 3.94249 2.28274 -103.86994 749.52588
3740.0000 -108.74498 -104.14360 4.60138 2.22500 -104.60046 709.60334
3745.0000 -107.57483 -102.90723 4.66760 2.33054 -103.26514 790.59723
3750.0000 -106.77978 -101.79667 4.98311 2.36836 -102.78673 811.85372
FREEZING PROCESS: loop number 16 T-loop= 799.00000000000000
main_MD> interactions number 16 at Temperature= 799.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02912 -2.16901 4.08612
force_rgl> df(natom) -1.95571 -0.48865 -0.01708
3755.0000 -107.33560 -102.38813 4.94747 2.38148 -102.62074 828.05789
3760.0000 -108.12771 -103.21659 4.91113 2.38893 -102.52650 869.27017
3765.0000 -107.94278 -103.11758 4.82520 2.32720 -103.30746 782.65524
3770.0000 -107.73424 -103.68979 4.04444 2.28345 -103.86091 729.90803
3775.0000 -108.11474 -103.76994 4.34480 2.29595 -103.70283 765.03122
3780.0000 -109.25937 -103.67485 5.58452 2.26967 -104.03528 750.38429
3785.0000 -108.56172 -103.20260 5.35912 2.26537 -104.08974 742.92167
3790.0000 -108.44032 -104.11758 4.32275 2.29439 -103.72249 779.41156
3795.0000 -108.35061 -104.25882 4.09179 2.25362 -104.23838 740.46159
3800.0000 -107.80333 -103.78433 4.01900 2.28302 -103.86642 772.19648
3805.0000 -107.91437 -103.50106 4.41331 2.30436 -103.59637 786.95382
3810.0000 -107.88350 -103.38642 4.49708 2.29019 -103.77573 767.35295
3815.0000 -107.99212 -102.46002 5.53210 2.38740 -102.54585 824.59806
3820.0000 -108.33240 -102.95156 5.38084 2.42948 -102.01341 834.20765
3825.0000 -107.88120 -102.56916 5.31204 2.36090 -102.88112 818.95473
3830.0000 -107.93778 -103.20967 4.72811 2.31356 -103.48004 778.42254
3835.0000 -107.46064 -103.04612 4.41452 2.34702 -103.05676 802.54978
3840.0000 -107.98085 -103.23336 4.74749 2.37004 -102.76543 804.64960
3845.0000 -108.97585 -103.97361 5.00224 2.32668 -103.31409 795.12614
3850.0000 -107.30814 -102.72809 4.58005 2.33663 -103.18816 764.32524
3855.0000 -107.11972 -102.88944 4.23028 2.38523 -102.57334 823.87857
3860.0000 -108.24818 -103.41905 4.82913 2.29842 -103.67157 755.49384
3865.0000 -106.87121 -102.92556 3.94565 2.34160 -103.12531 802.16213
3870.0000 -108.24841 -102.58659 5.66182 2.39213 -102.48604 853.09923
3875.0000 -106.98532 -101.99720 4.98812 2.36890 -102.77992 831.13198
3880.0000 -107.57240 -101.92748 5.64492 2.44450 -101.82345 847.89724
3885.0000 -107.46283 -102.94605 4.51678 2.44210 -101.85376 875.69704
3890.0000 -107.92284 -103.44517 4.47767 2.35941 -102.89999 803.99832
3895.0000 -108.16971 -103.95740 4.21231 2.29974 -103.65490 786.55090
3900.0000 -108.09230 -103.47084 4.62145 2.30523 -103.58542 778.26001
3905.0000 -107.70549 -103.07782 4.62767 2.34723 -103.05409 811.03974
3910.0000 -107.72423 -103.32620 4.39803 2.29414 -103.72575 767.79724
3915.0000 -106.49454 -102.49943 3.99511 2.34811 -103.04288 813.44241
3920.0000 -107.43607 -102.25048 5.18559 2.40614 -102.30880 847.12055
3925.0000 -107.95474 -103.70451 4.25023 2.38656 -102.55646 846.66718
3930.0000 -107.71448 -103.28490 4.42958 2.32836 -103.29282 793.45607
3935.0000 -108.38889 -103.10024 5.28865 2.32485 -103.33720 792.62106
3940.0000 -108.86785 -103.81457 5.05329 2.30683 -103.56520 760.79589
3945.0000 -108.06642 -103.59142 4.47500 2.25795 -104.18352 757.82241
3950.0000 -107.43289 -103.79263 3.64026 2.30272 -103.61716 797.17493
3955.0000 -107.84734 -103.36168 4.48566 2.28776 -103.80643 755.86190
3960.0000 -107.33758 -103.08503 4.25255 2.32917 -103.28248 749.31291
3965.0000 -107.37262 -102.34167 5.03095 2.30420 -103.59847 756.88373
3970.0000 -107.00250 -102.39014 4.61236 2.39554 -102.44284 831.24925
3975.0000 -107.56013 -103.93250 3.62763 2.33291 -103.23517 777.87215
3980.0000 -107.95849 -104.57303 3.38546 2.24474 -104.35076 724.29627
3985.0000 -108.64176 -103.83760 4.80416 2.30962 -103.52983 754.51274
3990.0000 -107.89968 -102.86986 5.02982 2.29436 -103.72288 773.16581
3995.0000 -108.05745 -103.23163 4.82582 2.36244 -102.86156 838.00758
4000.0000 -107.89784 -101.63907 6.25878 2.40127 -102.37039 851.56846
FREEZING PROCESS: loop number 17 T-loop= 774.00000000000000
main_MD> interactions number 17 at Temperature= 774.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93252 -3.31673 -2.94647
force_rgl> df(natom) -2.23374 1.81390 1.88900
4005.0000 -108.22702 -104.04965 4.17737 2.38789 -102.53961 853.07469
4010.0000 -107.73968 -101.68984 6.04984 2.36163 -102.87186 830.75266
4015.0000 -108.11563 -103.23713 4.87849 2.42339 -102.09052 875.45156
4020.0000 -107.45807 -103.16774 4.29033 2.38395 -102.58953 817.58533
4025.0000 -107.73934 -103.31199 4.42735 2.30975 -103.52821 775.02144
4030.0000 -108.56113 -104.07971 4.48143 2.30656 -103.56860 759.02207
4035.0000 -108.63568 -103.12680 5.50888 2.31816 -103.42183 762.68840
4040.0000 -107.74420 -104.13081 3.61339 2.25649 -104.20204 717.59179
4045.0000 -107.74921 -103.84606 3.90315 2.29767 -103.68111 760.48706
4050.0000 -107.48110 -103.34916 4.13194 2.32743 -103.30455 779.76470
4055.0000 -107.84716 -103.78796 4.05920 2.30779 -103.55306 747.22015
4060.0000 -109.18237 -104.76092 4.42145 2.26585 -104.08358 756.88797
4065.0000 -108.42604 -103.29094 5.13510 2.27382 -103.98278 754.93134
4070.0000 -108.53266 -103.68109 4.85158 2.30350 -103.60725 748.47862
4075.0000 -107.53882 -103.03218 4.50664 2.34180 -103.12276 815.89224
4080.0000 -107.90727 -103.90122 4.00605 2.31727 -103.43311 781.27118
4085.0000 -107.90101 -103.92653 3.97448 2.26717 -104.06687 720.60945
4090.0000 -107.90107 -103.55103 4.35004 2.33087 -103.26104 789.81054
4095.0000 -108.22311 -103.84398 4.37913 2.28852 -103.79687 797.12847
4100.0000 -106.76598 -102.80883 3.95714 2.30703 -103.56264 760.06439
4105.0000 -106.93547 -102.96148 3.97399 2.33042 -103.26670 765.83575
4110.0000 -107.58378 -103.33821 4.24558 2.33495 -103.20946 786.51656
4115.0000 -109.21983 -105.00915 4.21068 2.26953 -104.03706 712.92556
4120.0000 -109.39100 -106.01672 3.37428 2.13865 -105.69292 641.96103
4125.0000 -108.22422 -103.78210 4.44212 2.21106 -104.77674 687.65050
4130.0000 -108.44379 -103.40922 5.03457 2.26982 -104.03339 721.19665
4135.0000 -106.41606 -102.60230 3.81376 2.34508 -103.08130 774.98211
4140.0000 -106.66362 -101.80497 4.85866 2.42347 -102.08953 849.59256
4145.0000 -107.03070 -101.91247 5.11823 2.44543 -101.81164 864.49975
4150.0000 -106.66016 -101.76442 4.89574 2.41963 -102.13810 865.41476
4155.0000 -108.00732 -103.84561 4.16171 2.37097 -102.75372 808.63651
4160.0000 -108.19468 -103.80701 4.38767 2.28313 -103.86499 750.69006
4165.0000 -108.17063 -103.52079 4.64984 2.30134 -103.63459 731.40932
4170.0000 -107.61287 -103.50545 4.10742 2.29099 -103.76555 713.76929
4175.0000 -108.11458 -103.94596 4.16862 2.28885 -103.79268 728.67521
4180.0000 -107.37808 -103.35681 4.02127 2.25379 -104.23626 700.00819
4185.0000 -107.04114 -102.26177 4.77937 2.37576 -102.69308 807.05726
4190.0000 -107.88268 -103.36479 4.51789 2.39364 -102.46688 850.45483
4195.0000 -108.51534 -105.05892 3.45642 2.31709 -103.43538 754.15932
4200.0000 -108.13354 -103.61901 4.51453 2.23688 -104.45016 710.53369
4205.0000 -108.56718 -104.23733 4.32985 2.26627 -104.07828 742.91808
4210.0000 -109.25530 -104.44010 4.81520 2.23352 -104.49265 700.27735
4215.0000 -108.69846 -104.12470 4.57376 2.29086 -103.76716 779.19860
4220.0000 -108.59712 -104.77014 3.82699 2.19209 -105.01676 677.15744
4225.0000 -108.42239 -103.97195 4.45044 2.28073 -103.89532 732.12169
4230.0000 -107.89569 -103.43351 4.46218 2.28521 -103.83869 747.21514
4235.0000 -107.95412 -104.23359 3.72053 2.32627 -103.31921 786.29664
4240.0000 -108.96933 -104.79200 4.17732 2.23185 -104.51383 720.37649
4245.0000 -108.82090 -104.43944 4.38146 2.18268 -105.13578 670.22994
4250.0000 -108.92042 -105.25372 3.66670 2.26224 -104.12925 744.04619
FREEZING PROCESS: loop number 18 T-loop= 749.00000000000000
main_MD> interactions number 18 at Temperature= 749.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69373 2.39383 -0.02225
force_rgl> df(natom) 1.62368 3.41700 3.28834
4255.0000 -108.27518 -104.56571 3.70947 2.19404 -104.99218 684.95191
4260.0000 -108.30058 -102.94492 5.35566 2.29584 -103.70427 775.94039
4265.0000 -108.83467 -103.54100 5.29366 2.33275 -103.23725 814.19444
4270.0000 -107.56306 -103.38442 4.17863 2.33727 -103.18002 782.19929
4275.0000 -108.19785 -103.83943 4.35842 2.31194 -103.50049 790.15518
4280.0000 -108.32017 -104.28235 4.03782 2.27514 -103.96612 743.56674
4285.0000 -107.78270 -103.39281 4.38989 2.26847 -104.05052 715.40998
4290.0000 -108.70552 -105.16366 3.54186 2.28631 -103.82480 738.82360
4295.0000 -108.35017 -104.57632 3.77385 2.24741 -104.31688 732.72757
4300.0000 -108.86451 -105.48358 3.38093 2.21544 -104.72137 706.62306
4305.0000 -108.92240 -104.57703 4.34538 2.17973 -105.17312 693.03888
4310.0000 -108.27689 -104.44176 3.83513 2.26974 -104.03442 735.00828
4315.0000 -107.99339 -103.26860 4.72479 2.24415 -104.35814 683.39649
4320.0000 -109.75753 -105.17929 4.57824 2.24873 -104.30022 746.30208
4325.0000 -108.98482 -104.74408 4.24073 2.16087 -105.41181 666.96604
4330.0000 -109.46414 -105.03116 4.43298 2.24377 -104.36292 719.36604
4335.0000 -108.58285 -104.24803 4.33482 2.23743 -104.44314 710.30523
4340.0000 -109.01085 -104.61589 4.39496 2.24593 -104.33564 712.70597
4345.0000 -109.24097 -105.06685 4.17412 2.21184 -104.76688 685.87734
4350.0000 -108.04825 -104.11411 3.93413 2.23759 -104.44120 695.29592
4355.0000 -107.88468 -102.68873 5.19595 2.33859 -103.16336 812.83799
4360.0000 -107.47650 -103.14549 4.33102 2.33972 -103.14907 797.34726
4365.0000 -108.79882 -104.95557 3.84324 2.23327 -104.49582 713.15676
4370.0000 -107.76507 -103.85128 3.91379 2.24047 -104.40472 704.35698
4375.0000 -108.88967 -103.21179 5.67788 2.27446 -103.97470 749.13439
4380.0000 -107.98524 -102.85739 5.12785 2.32920 -103.28212 834.78501
4385.0000 -108.33932 -103.22215 5.11717 2.36468 -102.83328 808.89774
4390.0000 -107.49307 -102.70370 4.78936 2.35445 -102.96276 820.97308
4395.0000 -107.89467 -103.57376 4.32091 2.34794 -103.04511 814.91810
4400.0000 -108.63935 -103.15340 5.48594 2.32085 -103.38782 796.38342
4405.0000 -107.32027 -102.61321 4.70705 2.36674 -102.80723 820.17568
4410.0000 -107.53179 -103.41717 4.11462 2.33979 -103.14818 827.51606
4415.0000 -108.27105 -104.07449 4.19656 2.27767 -103.93402 771.91019
4420.0000 -107.69545 -103.80732 3.88813 2.30317 -103.61144 763.68198
4425.0000 -108.43880 -104.25037 4.18843 2.27711 -103.94114 792.00574
4430.0000 -108.59332 -104.81951 3.77381 2.20561 -104.84580 681.82098
4435.0000 -108.04557 -104.30952 3.73606 2.21560 -104.71940 681.27856
4440.0000 -107.62668 -103.07535 4.55133 2.28626 -103.82540 756.14004
4445.0000 -107.51110 -102.98690 4.52420 2.34824 -103.04120 763.19799
4450.0000 -108.39388 -103.24067 5.15320 2.31110 -103.51111 745.43733
4455.0000 -108.10853 -104.03818 4.07035 2.32474 -103.33860 798.75694
4460.0000 -107.69325 -102.94780 4.74545 2.29699 -103.68971 753.47776
4465.0000 -107.55073 -102.77963 4.77110 2.32239 -103.36826 782.70379
4470.0000 -107.09898 -102.80774 4.29124 2.38971 -102.51657 819.04490
4475.0000 -108.37935 -104.47712 3.90223 2.29087 -103.76714 742.93648
4480.0000 -108.26332 -104.52259 3.74073 2.23886 -104.42506 717.82836
4485.0000 -108.72133 -103.72377 4.99756 2.26735 -104.06464 721.53482
4490.0000 -108.66686 -104.80660 3.86026 2.16562 -105.35165 660.68512
4495.0000 -108.54799 -104.45461 4.09338 2.24206 -104.38460 684.91886
4500.0000 -108.01139 -103.69289 4.31850 2.25828 -104.17945 742.31305
FREEZING PROCESS: loop number 19 T-loop= 724.00000000000000
main_MD> interactions number 19 at Temperature= 724.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08973 -1.50889 -1.49823
force_rgl> df(natom) 0.89478 -2.42172 1.02594
4505.0000 -108.91680 -102.99375 5.92305 2.30367 -103.60520 763.07351
4510.0000 -109.39345 -105.39946 3.99399 2.30023 -103.64869 787.12999
4515.0000 -109.55118 -105.03960 4.51158 2.14057 -105.66864 656.18662
4520.0000 -109.84756 -105.80811 4.03945 2.12992 -105.80336 643.26028
4525.0000 -108.29390 -103.96361 4.33030 2.16760 -105.32659 649.34435
4530.0000 -108.19322 -104.17015 4.02307 2.26736 -104.06448 776.21331
4535.0000 -109.48106 -105.06386 4.41720 2.19925 -104.92625 714.29180
4540.0000 -109.55376 -105.37879 4.17497 2.15371 -105.50234 668.68888
4545.0000 -108.05536 -104.44433 3.61103 2.22780 -104.56499 702.58128
4550.0000 -108.06616 -104.19028 3.87588 2.26776 -104.05948 733.45582
4555.0000 -108.65060 -104.04323 4.60737 2.22651 -104.58139 718.40435
4560.0000 -109.23527 -105.06937 4.16591 2.24244 -104.37981 741.20994
4565.0000 -107.85230 -103.83265 4.01965 2.16760 -105.32667 668.31704
4570.0000 -108.76293 -103.78728 4.97565 2.29711 -103.68820 761.73255
4575.0000 -109.35309 -104.44525 4.90784 2.25646 -104.20247 729.58360
4580.0000 -108.08876 -104.15873 3.93003 2.22475 -104.60360 681.85704
4585.0000 -109.01886 -104.58793 4.43094 2.23675 -104.45184 716.59176
4590.0000 -109.03716 -104.79865 4.23852 2.22172 -104.64195 714.08883
4595.0000 -108.66295 -104.84766 3.81529 2.21995 -104.66436 723.42381
4600.0000 -109.42071 -105.90531 3.51540 2.12018 -105.92662 635.16678
4605.0000 -108.69448 -104.93513 3.75935 2.18345 -105.12613 686.46574
4610.0000 -108.67739 -103.63667 5.04072 2.21816 -104.68696 703.77596
4615.0000 -108.41699 -103.81031 4.60668 2.26404 -104.10656 714.34638
4620.0000 -107.76568 -104.21086 3.55481 2.27891 -103.91840 720.29714
4625.0000 -108.40637 -104.57820 3.82817 2.27297 -103.99360 715.99877
4630.0000 -108.22933 -103.62280 4.60653 2.25439 -104.22857 734.62929
4635.0000 -108.09315 -103.69874 4.39441 2.27604 -103.95470 754.27772
4640.0000 -108.27170 -104.16991 4.10179 2.27118 -104.01623 750.02294
4645.0000 -109.81064 -105.01490 4.79574 2.18223 -105.14152 663.33800
4650.0000 -108.56222 -103.83214 4.73008 2.25569 -104.21216 728.61623
4655.0000 -108.59025 -105.08598 3.50427 2.21301 -104.75214 716.60989
4660.0000 -108.18947 -103.96756 4.22191 2.20172 -104.89493 695.76411
4665.0000 -107.94905 -103.89019 4.05885 2.28665 -103.82043 781.50583
4670.0000 -108.89098 -104.32170 4.56928 2.22717 -104.57300 679.41416
4675.0000 -108.96193 -104.88136 4.08058 2.23118 -104.52220 707.83545
4680.0000 -107.28781 -102.94765 4.34016 2.27702 -103.94232 773.11515
4685.0000 -107.80156 -103.44114 4.36042 2.33778 -103.17364 792.76983
4690.0000 -108.11256 -104.03492 4.07764 2.27156 -104.01141 744.41139
4695.0000 -108.29235 -103.84561 4.44674 2.27532 -103.96375 761.33552
4700.0000 -109.65806 -104.98985 4.66821 2.26558 -104.08705 753.39789
4705.0000 -108.23330 -104.67892 3.55438 2.20439 -104.86112 687.47208
4710.0000 -109.27293 -104.89062 4.38231 2.21239 -104.75997 682.00496
4715.0000 -108.54400 -104.75147 3.79253 2.23305 -104.49853 706.78670
4720.0000 -107.88140 -103.61831 4.26309 2.25014 -104.28234 712.02286
4725.0000 -107.44853 -102.79496 4.65357 2.25951 -104.16385 755.33614
4730.0000 -107.87356 -103.64354 4.23003 2.33879 -103.16083 774.07478
4735.0000 -107.02451 -102.64383 4.38068 2.33402 -103.22123 760.91570
4740.0000 -107.54761 -102.91127 4.63633 2.41164 -102.23917 816.29901
4745.0000 -107.83283 -103.99470 3.83813 2.32381 -103.35029 723.56996
4750.0000 -108.44652 -104.50764 3.93888 2.24062 -104.40281 730.21360
FREEZING PROCESS: loop number 20 T-loop= 699.00000000000000
main_MD> interactions number 20 at Temperature= 699.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.84730 -1.01307 -0.31365
force_rgl> df(natom) 3.39187 -0.55124 -1.99392
4755.0000 -109.61430 -105.61735 3.99696 2.15241 -105.51883 638.38151
4760.0000 -109.20371 -105.46134 3.74237 2.12825 -105.82442 633.43811
4765.0000 -109.02011 -105.48294 3.53717 2.16385 -105.37403 659.28578
4770.0000 -109.44855 -105.04553 4.40301 2.15798 -105.44838 642.07930
4775.0000 -109.01977 -105.09070 3.92907 2.15313 -105.50973 623.16872
4780.0000 -109.01499 -103.90987 5.10512 2.25119 -104.26906 704.08283
4785.0000 -107.61376 -103.04371 4.57005 2.31352 -103.48055 745.70637
4790.0000 -108.48878 -103.86429 4.62449 2.33538 -103.20394 768.10558
4795.0000 -108.73506 -105.33808 3.39698 2.22678 -104.57792 672.86845
4800.0000 -109.64412 -105.92075 3.72337 2.16208 -105.39644 644.08741
4805.0000 -108.39737 -103.76558 4.63180 2.18809 -105.06739 688.01311
4810.0000 -107.24114 -103.53133 3.70981 2.25786 -104.18466 733.58218
4815.0000 -109.38887 -104.49340 4.89547 2.23148 -104.51843 687.17492
4820.0000 -110.09948 -106.74000 3.35948 2.15629 -105.46976 632.57144
4825.0000 -109.45043 -106.31800 3.13243 2.09931 -106.19065 594.22035
4830.0000 -108.75781 -105.60650 3.15131 2.14988 -105.55080 645.08719
4835.0000 -109.28700 -105.84644 3.44057 2.15523 -105.48310 658.63148
4840.0000 -108.36227 -104.02714 4.33514 2.24332 -104.36869 691.05686
4845.0000 -108.27597 -103.60439 4.67157 2.26725 -104.06591 732.97632
4850.0000 -109.15742 -104.52097 4.63645 2.27730 -103.93874 754.70716
4855.0000 -109.42552 -105.36232 4.06320 2.17622 -105.21756 686.88713
4860.0000 -108.18172 -104.49454 3.68718 2.17823 -105.19214 672.24114
4865.0000 -108.65904 -104.57936 4.07967 2.24161 -104.39028 724.79390
4870.0000 -108.94330 -104.78507 4.15823 2.20741 -104.82298 695.16341
4875.0000 -109.92847 -105.01788 4.91059 2.19322 -105.00249 698.03115
4880.0000 -108.65747 -105.63000 3.02747 2.18603 -105.09346 693.71999
4885.0000 -108.92841 -104.73853 4.18988 2.16449 -105.36593 660.61757
4890.0000 -108.51442 -103.58312 4.93130 2.27378 -103.98332 752.37095
4895.0000 -109.07100 -104.23702 4.83397 2.27688 -103.94412 769.76966
4900.0000 -109.56066 -105.73501 3.82565 2.23079 -104.52723 714.07212
4905.0000 -109.43936 -105.15456 4.28480 2.18634 -105.08952 683.98817
4910.0000 -108.59861 -104.38904 4.20957 2.20246 -104.88558 685.07917
4915.0000 -108.22743 -104.13315 4.09428 2.21140 -104.77254 703.00333
4920.0000 -109.12929 -105.11664 4.01265 2.18761 -105.07352 674.50408
4925.0000 -108.56522 -104.85544 3.70978 2.19330 -105.00154 672.88724
4930.0000 -108.67903 -104.79014 3.88889 2.24418 -104.35778 708.72754
4935.0000 -109.22230 -104.91802 4.30428 2.18628 -105.09033 685.65217
4940.0000 -109.25945 -104.82611 4.43335 2.19542 -104.97472 678.06997
4945.0000 -108.17087 -104.48651 3.68436 2.21218 -104.76259 695.96387
4950.0000 -109.58816 -105.87034 3.71782 2.16307 -105.38399 672.38051
4955.0000 -108.44241 -104.03584 4.40657 2.16902 -105.30871 664.59615
4960.0000 -108.07908 -103.66601 4.41307 2.27703 -103.94220 775.46113
4965.0000 -108.66556 -103.74095 4.92461 2.25889 -104.17164 714.50167
4970.0000 -107.27738 -103.31270 3.96468 2.28982 -103.78036 731.82180
4975.0000 -109.31250 -104.18989 5.12262 2.27769 -103.93379 748.26984
4980.0000 -109.29807 -104.26501 5.03307 2.22055 -104.65674 681.54338
4985.0000 -108.33207 -104.96797 3.36409 2.23372 -104.49014 723.79794
4990.0000 -108.62871 -105.04965 3.57907 2.17235 -105.26648 659.48899
4995.0000 -109.16812 -104.75076 4.41736 2.22852 -104.55588 695.86354
5000.0000 -107.66271 -104.02205 3.64065 2.29136 -103.76091 769.76775
FREEZING PROCESS: loop number 21 T-loop= 674.00000000000000
main_MD> interactions number 21 at Temperature= 674.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.01172 0.59711 1.05266
force_rgl> df(natom) -0.15451 0.85418 -0.06956
5005.0000 -107.59966 -102.91410 4.68555 2.30926 -103.53445 775.99191
5010.0000 -108.91880 -104.89038 4.02842 2.23945 -104.41763 734.65591
5015.0000 -108.61435 -104.40219 4.21217 2.23519 -104.47155 731.76431
5020.0000 -109.74490 -105.63669 4.10821 2.23028 -104.53368 734.67138
5025.0000 -109.55165 -104.62373 4.92792 2.17946 -105.17656 692.73518
5030.0000 -109.90144 -105.12941 4.77203 2.17822 -105.19224 709.83740
5035.0000 -109.53317 -106.05594 3.47723 2.15455 -105.49175 667.52348
5040.0000 -109.53324 -105.11905 4.41420 2.15600 -105.47343 671.10659
5045.0000 -109.47055 -105.39982 4.07073 2.15785 -105.44997 667.99714
5050.0000 -110.08980 -106.44676 3.64304 2.14344 -105.63232 651.73424
5055.0000 -109.73164 -105.89225 3.83939 2.10128 -106.16572 596.60678
5060.0000 -109.38852 -105.80334 3.58518 2.16192 -105.39847 677.54825
5065.0000 -109.35642 -106.41260 2.94382 2.12408 -105.87719 647.53920
5070.0000 -109.54134 -106.13366 3.40768 2.09095 -106.29637 612.80618
5075.0000 -110.09795 -106.51508 3.58286 2.10165 -106.16105 630.76997
5080.0000 -108.86681 -105.21008 3.65672 2.12784 -105.82969 630.84474
5085.0000 -108.80552 -106.00507 2.80046 2.12578 -105.85569 635.68563
5090.0000 -108.44601 -105.07634 3.36967 2.14546 -105.60676 619.90261
5095.0000 -108.39222 -105.36004 3.03218 2.17994 -105.17051 658.64369
5100.0000 -108.60076 -104.53852 4.06224 2.19295 -105.00593 667.13273
5105.0000 -108.61092 -104.58536 4.02556 2.23047 -104.53118 732.92970
5110.0000 -109.82534 -106.25786 3.56748 2.20195 -104.89200 722.42368
5115.0000 -109.80640 -104.82943 4.97697 2.12981 -105.80478 658.48971
5120.0000 -109.54175 -105.55483 3.98692 2.18048 -105.16362 690.29795
5125.0000 -108.59662 -105.30081 3.29581 2.14472 -105.61609 656.36790
5130.0000 -109.54976 -105.61435 3.93541 2.19489 -104.98138 705.93599
5135.0000 -109.88148 -106.20038 3.68110 2.14251 -105.64402 659.71761
5140.0000 -109.58045 -105.07324 4.50721 2.15401 -105.49859 670.80096
5145.0000 -109.34731 -105.39773 3.94959 2.22321 -104.62310 716.63943
5150.0000 -108.77461 -105.21769 3.55692 2.18523 -105.10362 701.77182
5155.0000 -109.03039 -105.00899 4.02140 2.17572 -105.22386 651.08618
5160.0000 -108.99419 -105.24487 3.74932 2.18632 -105.08982 686.77405
5165.0000 -109.45593 -105.78184 3.67410 2.11855 -105.94718 612.89111
5170.0000 -109.75940 -106.61336 3.14603 2.11981 -105.93126 623.11539
5175.0000 -109.37093 -105.85672 3.51421 2.08285 -106.39882 555.37487
5180.0000 -109.74788 -106.08833 3.65955 2.09387 -106.25938 577.12606
5185.0000 -110.51310 -107.01626 3.49684 2.07179 -106.53876 571.55507
5190.0000 -108.95099 -105.41642 3.53457 2.08767 -106.33789 566.86462
5195.0000 -109.12262 -104.89053 4.23209 2.17309 -105.25713 635.50803
5200.0000 -108.99127 -104.91077 4.08049 2.22616 -104.58573 676.13931
5205.0000 -108.72330 -105.06643 3.65687 2.20360 -104.87118 693.31147
5210.0000 -109.29131 -105.44896 3.84235 2.14836 -105.57002 626.72923
5215.0000 -110.06755 -105.97456 4.09299 2.12992 -105.80329 622.52261
5220.0000 -108.55303 -104.86005 3.69298 2.18760 -105.07359 689.03595
5225.0000 -109.93140 -105.63803 4.29336 2.20672 -104.83170 702.87262
5230.0000 -109.61999 -104.44162 5.17838 2.16853 -105.31488 672.18818
5235.0000 -109.06707 -105.18340 3.88366 2.20514 -104.85173 713.27598
5240.0000 -108.56410 -104.43328 4.13082 2.25372 -104.23712 709.53026
5245.0000 -108.63304 -105.51696 3.11608 2.17420 -105.24311 645.25976
5250.0000 -109.93380 -105.73237 4.20143 2.15345 -105.50563 667.81824
FREEZING PROCESS: loop number 22 T-loop= 649.00000000000000
main_MD> interactions number 22 at Temperature= 649.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.96528 -0.40083 -0.82738
force_rgl> df(natom) 1.01792 0.36967 -1.58304
5255.0000 -109.35847 -105.60513 3.75333 2.10589 -106.10742 609.07834
5260.0000 -109.02538 -106.14788 2.87750 2.10695 -106.09388 581.69166
5265.0000 -108.46796 -104.65852 3.80944 2.17723 -105.20477 644.15290
5270.0000 -108.72490 -104.84666 3.87823 2.21790 -104.69021 704.57124
5275.0000 -109.69418 -104.73460 4.95958 2.19467 -104.98415 698.92854
5280.0000 -109.10256 -105.49057 3.61199 2.16521 -105.35686 662.57219
5285.0000 -110.23427 -106.34043 3.89384 2.13174 -105.78031 619.53431
5290.0000 -109.05064 -105.52691 3.52373 2.12400 -105.87823 623.69282
5295.0000 -109.42658 -105.77288 3.65370 2.13712 -105.71226 640.70427
5300.0000 -109.57799 -105.95194 3.62605 2.11115 -106.04083 601.80097
5305.0000 -109.29490 -106.28144 3.01346 2.09126 -106.29248 600.24352
5310.0000 -110.25754 -106.60846 3.64908 2.05590 -106.73982 554.17400
5315.0000 -109.46263 -106.36539 3.09725 2.09708 -106.21876 598.95362
5320.0000 -109.69233 -105.45056 4.24177 2.14764 -105.57912 647.52406
5325.0000 -108.53180 -105.28620 3.24559 2.20024 -104.91370 657.41475
5330.0000 -109.58256 -106.42398 3.15858 2.14037 -105.67111 610.88735
5335.0000 -108.26024 -104.21703 4.04320 2.16499 -105.35961 648.00751
5340.0000 -109.16654 -104.86219 4.30435 2.22285 -104.62767 717.94297
5345.0000 -109.28695 -105.09388 4.19307 2.19861 -104.93431 676.64528
5350.0000 -109.54691 -104.75739 4.78952 2.22542 -104.59516 715.33474
5355.0000 -109.15080 -104.16199 4.98881 2.12788 -105.82914 635.64718
5360.0000 -108.60711 -104.76317 3.84394 2.21914 -104.67463 707.07867
5365.0000 -109.31361 -105.70301 3.61060 2.16486 -105.36133 648.78547
5370.0000 -109.63681 -105.96061 3.67620 2.16494 -105.36026 662.05994
5375.0000 -108.80116 -104.75189 4.04928 2.12526 -105.86225 616.37816
5380.0000 -109.21105 -105.69945 3.51161 2.17568 -105.22439 659.86140
5385.0000 -108.55261 -104.58613 3.96648 2.22907 -104.54899 709.52221
5390.0000 -110.18290 -106.79993 3.38297 2.12910 -105.81369 652.95782
5395.0000 -109.31149 -105.96147 3.35002 2.07609 -106.48434 614.37690
5400.0000 -110.80666 -107.17094 3.63572 2.10223 -106.15372 629.62257
5405.0000 -109.43744 -106.55840 2.87905 2.00016 -107.44497 537.37143
5410.0000 -109.92060 -106.91790 3.00269 2.06794 -106.58742 575.39067
5415.0000 -108.84711 -104.82345 4.02366 2.13979 -105.67845 629.23449
5420.0000 -110.42150 -107.02148 3.40002 2.10396 -106.13182 610.36995
5425.0000 -109.66829 -106.48876 3.17953 2.06394 -106.63807 573.43037
5430.0000 -109.62458 -106.74875 2.87583 2.05827 -106.70984 561.62265
5435.0000 -109.71330 -106.18401 3.52929 2.11565 -105.98388 623.23614
5440.0000 -109.90222 -106.05569 3.84653 2.09047 -106.30249 595.40546
5445.0000 -109.36092 -105.69028 3.67065 2.13020 -105.79976 606.53981
5450.0000 -109.19699 -105.39291 3.80408 2.12961 -105.80731 595.34498
5455.0000 -109.15872 -105.43133 3.72739 2.11538 -105.98725 610.49328
5460.0000 -109.70837 -106.00615 3.70222 2.13375 -105.75486 620.53008
5465.0000 -109.26359 -104.91383 4.34976 2.14195 -105.65112 620.41613
5470.0000 -109.39464 -105.90740 3.48724 2.14943 -105.55649 619.79461
5475.0000 -108.96665 -105.16541 3.80125 2.14524 -105.60946 637.15382
5480.0000 -109.25318 -105.49560 3.75758 2.17684 -105.20972 665.48139
5485.0000 -108.94311 -105.02235 3.92076 2.18231 -105.14055 673.00766
5490.0000 -109.13130 -104.94090 4.19040 2.21825 -104.68579 710.03441
5495.0000 -108.78842 -105.50365 3.28477 2.15307 -105.51047 641.07531
5500.0000 -108.54968 -105.35689 3.19279 2.12604 -105.85244 586.57816
FREEZING PROCESS: loop number 23 T-loop= 624.00000000000000
main_MD> interactions number 23 at Temperature= 624.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.06073 1.89142 -3.06604
force_rgl> df(natom) 5.91625 -0.00116 1.54616
5505.0000 -109.44171 -105.89235 3.54937 2.12366 -105.88252 614.15025
5510.0000 -110.18762 -105.79572 4.39190 2.11915 -105.93965 620.85959
5515.0000 -109.21784 -105.51357 3.70427 2.11665 -105.97127 632.19863
5520.0000 -109.45646 -105.59912 3.85734 2.15204 -105.52345 641.91244
5525.0000 -109.41595 -105.64416 3.77179 2.15083 -105.53881 625.97114
5530.0000 -109.68264 -106.52728 3.15536 2.11833 -105.94997 598.09088
5535.0000 -109.77296 -106.48789 3.28507 2.09197 -106.28346 579.85580
5540.0000 -109.28258 -105.72419 3.55839 2.12090 -105.91748 620.85590
5545.0000 -109.17472 -105.89920 3.27552 2.13931 -105.68448 635.03543
5550.0000 -109.28382 -105.93091 3.35291 2.15321 -105.50870 629.41015
5555.0000 -108.77033 -105.21494 3.55539 2.13374 -105.75498 635.89794
5560.0000 -109.37230 -106.01872 3.35357 2.12921 -105.81228 641.89715
5565.0000 -109.18761 -106.37030 2.81732 2.11968 -105.93294 627.52851
5570.0000 -109.73532 -106.21114 3.52418 2.10190 -106.15777 597.20663
5575.0000 -110.49752 -106.96101 3.53651 2.05777 -106.71608 569.86185
5580.0000 -109.98943 -106.92517 3.06426 2.08041 -106.42966 619.53761
5585.0000 -109.50098 -106.00812 3.49286 2.10116 -106.16723 606.42182
5590.0000 -110.65052 -107.41947 3.23106 2.05624 -106.73553 594.85551
5595.0000 -109.94385 -107.01498 2.92887 2.03264 -107.03402 550.75233
5600.0000 -109.56341 -106.10167 3.46174 2.04485 -106.87955 562.13190
5605.0000 -110.27286 -106.42890 3.84396 2.09787 -106.20888 607.73147
5610.0000 -110.00831 -105.89898 4.10933 2.11893 -105.94239 637.85379
5615.0000 -109.92581 -106.28102 3.64478 2.11980 -105.93138 634.71919
5620.0000 -110.10448 -106.92542 3.17906 2.06104 -106.67472 581.68716
5625.0000 -109.37075 -106.03179 3.33896 2.12189 -105.90489 633.50411
5630.0000 -108.34663 -104.81493 3.53170 2.16063 -105.41480 653.78488
5635.0000 -109.77753 -106.39834 3.37918 2.16871 -105.31265 651.20923
5640.0000 -108.85314 -105.12944 3.72370 2.10529 -106.11495 607.34716
5645.0000 -109.02223 -105.18630 3.83593 2.15563 -105.47813 650.51008
5650.0000 -109.76771 -106.01386 3.75386 2.14208 -105.64946 663.65392
5655.0000 -109.68779 -106.54024 3.14755 2.09872 -106.19806 623.13142
5660.0000 -110.24067 -107.04959 3.19108 2.06663 -106.60402 591.04613
5665.0000 -109.97866 -106.60788 3.37078 2.06545 -106.61902 579.72439
5670.0000 -110.56306 -106.31015 4.25291 2.09802 -106.20686 605.21353
5675.0000 -109.45523 -106.38073 3.07450 2.11213 -106.02843 608.13656
5680.0000 -109.92258 -106.20063 3.72195 2.07882 -106.44988 586.32041
5685.0000 -110.08866 -107.21487 2.87379 2.04541 -106.87254 583.22560
5690.0000 -110.36711 -106.58076 3.78634 2.02830 -107.08893 546.59314
5695.0000 -110.12020 -107.40934 2.71086 2.05908 -106.69953 577.64538
5700.0000 -110.29444 -107.83656 2.45789 2.00697 -107.35885 521.78748
5705.0000 -110.21987 -106.95605 3.26382 2.01496 -107.25778 521.28713
5710.0000 -109.93715 -107.22802 2.70913 1.98888 -107.58769 518.65201
5715.0000 -109.61502 -106.29397 3.32105 2.05869 -106.70451 566.42863
5720.0000 -109.88478 -106.38852 3.49626 2.11565 -105.98390 616.58890
5725.0000 -110.08513 -106.46992 3.61520 2.08227 -106.40613 584.19749
5730.0000 -110.60710 -107.88855 2.71855 2.04432 -106.88629 581.17770
5735.0000 -109.69992 -106.15723 3.54269 2.06228 -106.65913 575.93726
5740.0000 -110.05780 -106.64299 3.41481 2.07504 -106.49767 572.36837
5745.0000 -109.98884 -106.40968 3.57916 2.07671 -106.47649 592.23948
5750.0000 -110.51958 -106.36923 4.15035 2.08944 -106.31552 618.77983
FREEZING PROCESS: loop number 24 T-loop= 599.00000000000000
main_MD> interactions number 24 at Temperature= 599.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38686 1.47362 -1.80582
force_rgl> df(natom) -3.18547 0.33229 0.45534
5755.0000 -109.41909 -105.85958 3.55951 2.10513 -106.11696 641.33947
5760.0000 -110.48110 -106.90007 3.58103 2.09416 -106.25578 629.51554
5765.0000 -110.00358 -106.13374 3.86984 2.07988 -106.43644 609.02484
5770.0000 -108.88460 -105.47326 3.41134 2.11917 -105.93936 624.84902
5775.0000 -109.10100 -105.78011 3.32089 2.10732 -106.08926 604.76755
5780.0000 -109.75854 -106.70645 3.05209 2.13109 -105.78853 656.21972
5785.0000 -109.87906 -106.70539 3.17366 2.07421 -106.50817 633.09928
5790.0000 -109.53935 -106.35943 3.17992 2.07279 -106.52615 595.79472
5795.0000 -109.08101 -104.92750 4.15351 2.14066 -105.66749 673.93164
5800.0000 -109.29334 -105.45630 3.83704 2.15922 -105.43270 664.30391
5805.0000 -109.76250 -106.01293 3.74957 2.09251 -106.27657 586.12098
5810.0000 -110.41236 -107.02802 3.38434 2.06909 -106.57294 571.71557
5815.0000 -109.57741 -106.18507 3.39234 2.06893 -106.57498 583.78102
5820.0000 -109.60933 -104.98840 4.62094 2.12800 -105.82762 648.73090
5825.0000 -109.51735 -105.66997 3.84738 2.15353 -105.50469 637.10927
5830.0000 -109.04790 -105.28030 3.76760 2.13414 -105.74992 626.49658
5835.0000 -108.49327 -104.48296 4.01031 2.20364 -104.87061 677.24243
5840.0000 -108.42070 -104.42685 3.99386 2.28306 -103.86583 771.05810
5845.0000 -108.84978 -105.31742 3.53236 2.20094 -104.90487 662.84172
5850.0000 -110.15323 -106.65330 3.49993 2.09050 -106.30203 569.78198
5855.0000 -109.79391 -107.01919 2.77472 2.03460 -107.00932 563.70670
5860.0000 -109.85506 -107.22089 2.63417 2.00313 -107.40741 547.84380
5865.0000 -110.45426 -106.89652 3.55774 2.03886 -106.95542 576.90931
5870.0000 -108.82818 -105.72300 3.10519 2.09770 -106.21095 618.29202
5875.0000 -109.82557 -105.99723 3.82834 2.11253 -106.02330 619.55969
5880.0000 -111.44953 -108.11976 3.32977 2.08582 -106.36133 644.61950
5885.0000 -110.89670 -106.91575 3.98095 1.98447 -107.64350 571.78459
5890.0000 -109.00956 -105.42731 3.58225 2.07689 -106.47419 610.64551
5895.0000 -108.32441 -105.16578 3.15863 2.16654 -105.34003 687.42132
5900.0000 -108.83335 -105.28842 3.54492 2.17610 -105.21912 638.22221
5905.0000 -109.74743 -105.96960 3.77783 2.14499 -105.61272 639.54331
5910.0000 -110.32411 -106.95949 3.36462 2.07810 -106.45898 593.36502
5915.0000 -109.90384 -105.88644 4.01740 2.09737 -106.21511 631.07028
5920.0000 -109.40678 -105.96001 3.44677 2.11657 -105.97219 601.11994
5925.0000 -110.65879 -107.46226 3.19652 2.07760 -106.46531 578.30189
5930.0000 -109.46974 -105.88763 3.58212 2.08278 -106.39977 595.87995
5935.0000 -109.21930 -105.75359 3.46571 2.12534 -105.86126 634.01978
5940.0000 -109.44065 -105.87956 3.56109 2.11820 -105.95156 623.45984
5945.0000 -109.38115 -105.76797 3.61318 2.13672 -105.71735 603.80835
5950.0000 -109.49447 -105.40929 4.08518 2.15631 -105.46948 646.21646
5955.0000 -109.58385 -106.23017 3.35368 2.09454 -106.25092 602.10565
5960.0000 -110.34278 -106.93848 3.40430 2.04198 -106.91586 537.21124
5965.0000 -110.24936 -106.84900 3.40036 2.04499 -106.87785 563.93002
5970.0000 -110.51531 -107.78366 2.73166 2.04346 -106.89718 557.85367
5975.0000 -110.54302 -106.26851 4.27451 2.00876 -107.33618 517.91059
5980.0000 -108.29953 -105.24097 3.05855 2.14727 -105.58378 660.04490
5985.0000 -109.40909 -105.40983 3.99926 2.17128 -105.28001 664.34912
5990.0000 -109.31848 -106.17170 3.14679 2.13934 -105.68419 624.75670
5995.0000 -109.29606 -106.21334 3.08272 2.06130 -106.67144 579.37748
6000.0000 -109.73094 -106.25762 3.47332 2.09470 -106.24887 601.97625
FREEZING PROCESS: loop number 25 T-loop= 574.00000000000000
main_MD> interactions number 25 at Temperature= 574.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.88398 -0.61333 0.36397
force_rgl> df(natom) 0.71277 1.67668 -2.52111
6005.0000 -110.62082 -106.89567 3.72516 2.08497 -106.37206 611.71835
6010.0000 -111.07659 -107.76676 3.30984 2.04438 -106.88560 576.16502
6015.0000 -110.81576 -107.72315 3.09262 1.95788 -107.97987 489.82380
6020.0000 -110.86320 -107.58973 3.27347 1.98457 -107.64225 509.67994
6025.0000 -110.26296 -106.87420 3.38876 2.00970 -107.32430 522.12064
6030.0000 -110.18209 -107.03892 3.14317 2.03785 -106.96812 553.80356
6035.0000 -110.36286 -106.86808 3.49478 2.02790 -107.09404 578.58846
6040.0000 -110.23976 -107.58587 2.65389 2.02192 -107.16970 551.41660
6045.0000 -111.52905 -108.41897 3.11007 1.93667 -108.24824 466.44798
6050.0000 -111.17122 -108.32171 2.84951 1.93895 -108.21934 507.19073
6055.0000 -110.81888 -107.50029 3.31858 1.96761 -107.85675 530.13414
6060.0000 -110.43662 -106.92917 3.50745 2.04346 -106.89718 560.16674
6065.0000 -109.90397 -106.76319 3.14078 2.06595 -106.61270 586.33131
6070.0000 -110.22446 -106.50127 3.72319 2.04900 -106.82707 572.11507
6075.0000 -110.01594 -106.53066 3.48529 2.07212 -106.53453 598.17691
6080.0000 -110.95238 -106.90213 4.05025 2.03887 -106.95522 560.60778
6085.0000 -110.43952 -106.97748 3.46203 2.05037 -106.80975 584.07124
6090.0000 -110.24787 -107.32947 2.91840 2.04056 -106.93388 565.83789
6095.0000 -110.27457 -107.42034 2.85424 2.00775 -107.34902 533.85621
6100.0000 -108.95636 -105.96074 2.99562 2.04741 -106.84717 572.87858
6105.0000 -110.23137 -106.72933 3.50203 2.09439 -106.25288 580.71370
6110.0000 -109.73883 -106.33390 3.40493 2.07455 -106.50387 574.74887
6115.0000 -109.82311 -106.62966 3.19345 2.08216 -106.40754 595.01369
6120.0000 -108.92348 -105.12676 3.79672 2.16292 -105.38590 679.42891
6125.0000 -109.53162 -106.50005 3.03157 2.17460 -105.23803 679.32802
6130.0000 -110.15278 -106.67413 3.47865 2.05741 -106.72070 568.43496
6135.0000 -109.40055 -105.99694 3.40361 2.09474 -106.24837 614.46877
6140.0000 -108.48302 -104.73434 3.74868 2.15341 -105.50612 653.40937
6145.0000 -109.95947 -106.68694 3.27254 2.13134 -105.78538 654.02225
6150.0000 -110.60626 -107.00584 3.60041 2.05877 -106.70348 603.38842
6155.0000 -110.60288 -108.13542 2.46746 1.97926 -107.70939 524.01437
6160.0000 -110.39552 -107.15577 3.23975 1.96798 -107.85216 513.10257
6165.0000 -110.89876 -108.00560 2.89317 1.97509 -107.76222 525.86280
6170.0000 -111.30299 -107.63867 3.66431 1.97154 -107.80704 525.75646
6175.0000 -109.85248 -107.05257 2.79991 2.01944 -107.20114 539.91825
6180.0000 -110.03123 -106.56320 3.46804 2.01889 -107.20809 528.97328
6185.0000 -110.08059 -106.25373 3.82686 2.08857 -106.32653 596.45557
6190.0000 -108.81279 -105.45169 3.36110 2.16880 -105.31150 674.91821
6195.0000 -109.60842 -106.22858 3.37985 2.12917 -105.81284 651.12819
6200.0000 -109.31889 -106.07072 3.24817 2.08760 -106.33872 614.52119
6205.0000 -108.66324 -105.52940 3.13384 2.14381 -105.62761 639.78323
6210.0000 -110.57587 -106.60644 3.96943 2.10940 -106.06298 625.43801
6215.0000 -111.07921 -107.73821 3.34100 2.02423 -107.14053 561.00862
6220.0000 -111.14576 -107.94641 3.19934 2.01442 -107.26463 560.76391
6225.0000 -111.06168 -108.15223 2.90945 1.97343 -107.78314 523.04449
6230.0000 -110.29806 -106.82673 3.47133 2.01516 -107.25519 554.69071
6235.0000 -109.06292 -106.33046 2.73246 2.07762 -106.46499 589.55520
6240.0000 -109.82257 -106.40346 3.41912 2.08484 -106.37364 605.21493
6245.0000 -110.58874 -106.75803 3.83071 2.08003 -106.43458 590.30993
6250.0000 -109.74996 -107.00665 2.74330 2.08858 -106.32641 589.93727
FREEZING PROCESS: loop number 26 T-loop= 549.00000000000000
main_MD> interactions number 26 at Temperature= 549.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35576 1.86909 -0.84882
force_rgl> df(natom) 1.35205 -0.72624 -1.12511
6255.0000 -110.23658 -107.21365 3.02292 2.00171 -107.42538 506.15991
6260.0000 -110.58123 -107.24931 3.33192 2.00007 -107.44613 496.14517
6265.0000 -111.06227 -107.17501 3.88725 2.02604 -107.11759 560.27594
6270.0000 -110.75845 -107.31352 3.44494 2.03562 -106.99635 569.55578
6275.0000 -110.34435 -107.66756 2.67678 2.00115 -107.43253 540.29855
6280.0000 -109.97282 -106.46150 3.51132 2.00984 -107.32252 537.88489
6285.0000 -110.99599 -107.95804 3.03795 2.02864 -107.08463 565.60078
6290.0000 -110.85325 -107.21498 3.63828 2.01311 -107.28122 553.96707
6295.0000 -110.20193 -106.81122 3.39071 2.05028 -106.81089 561.17361
6300.0000 -110.18989 -107.49019 2.69970 2.02678 -107.10822 562.88238
6305.0000 -110.43505 -106.94199 3.49307 2.01775 -107.22243 552.09162
6310.0000 -110.33529 -106.92293 3.41236 2.05302 -106.77622 577.20278
6315.0000 -110.15127 -107.39296 2.75831 2.03233 -107.03799 570.29232
6320.0000 -110.27280 -106.89961 3.37319 2.03267 -107.03371 580.11344
6325.0000 -110.26634 -107.47745 2.78889 2.02705 -107.10476 553.52879
6330.0000 -111.30310 -108.08849 3.21460 1.98839 -107.59385 538.65157
6335.0000 -110.45832 -107.80182 2.65650 1.97038 -107.82181 537.03045
6340.0000 -110.35621 -107.36802 2.98820 1.99299 -107.53565 541.71156
6345.0000 -109.78719 -106.62571 3.16149 2.02335 -107.15156 559.12445
6350.0000 -110.20965 -107.41117 2.79848 2.02766 -107.09706 545.02756
6355.0000 -110.47296 -107.85524 2.61772 2.01349 -107.27636 540.06349
6360.0000 -111.11354 -108.33722 2.77633 1.91547 -108.51643 416.16551
6365.0000 -110.60675 -108.12207 2.48468 1.93822 -108.22864 457.81369
6370.0000 -109.95691 -106.85573 3.10118 2.00974 -107.32381 529.06294
6375.0000 -110.04311 -106.57462 3.46849 2.07645 -106.47976 589.89075
6380.0000 -110.19372 -107.20014 2.99358 2.02942 -107.07485 570.82137
6385.0000 -111.07368 -107.15977 3.91391 2.01533 -107.25301 566.71083
6390.0000 -110.55223 -107.11418 3.43806 2.02599 -107.11826 549.29776
6395.0000 -110.81821 -107.26209 3.55612 2.01778 -107.22202 544.11389
6400.0000 -110.02263 -106.53043 3.49220 2.01246 -107.28940 536.32630
6405.0000 -109.94898 -107.41422 2.53476 2.06249 -106.65638 569.04478
6410.0000 -110.31884 -107.22742 3.09143 2.00850 -107.33947 548.02989
6415.0000 -109.60637 -106.41848 3.18790 2.05406 -106.76313 574.05328
6420.0000 -109.94652 -107.14991 2.79661 2.04728 -106.84890 533.14712
6425.0000 -109.53194 -106.72757 2.80437 2.04613 -106.86336 556.60891
6430.0000 -110.46082 -107.63114 2.82968 2.02407 -107.14250 557.58203
6435.0000 -110.45168 -107.08667 3.36501 2.01023 -107.31763 546.61612
6440.0000 -110.01318 -106.05571 3.95747 2.06032 -106.68383 580.91429
6445.0000 -110.29600 -106.16082 4.13518 2.06778 -106.58949 597.66156
6450.0000 -109.71873 -107.02701 2.69172 2.00851 -107.33930 535.87819
6455.0000 -110.81845 -107.99454 2.82391 2.02576 -107.12115 535.52528
6460.0000 -110.08133 -106.97960 3.10173 1.98770 -107.60258 508.80124
6465.0000 -109.34832 -105.94284 3.40548 2.08575 -106.36218 599.57686
6470.0000 -109.40009 -106.40498 2.99511 2.05907 -106.69969 551.60827
6475.0000 -109.88834 -106.68838 3.19997 2.08072 -106.42573 583.82095
6480.0000 -110.09437 -107.19719 2.89718 2.00941 -107.32795 478.36066
6485.0000 -108.77487 -105.60361 3.17126 2.07697 -106.47324 526.31727
6490.0000 -109.34009 -105.87289 3.46720 2.15199 -105.52409 626.11339
6495.0000 -109.50089 -106.13251 3.36838 2.13070 -105.79350 596.81077
6500.0000 -110.34083 -107.08118 3.25966 2.05445 -106.75815 563.20030
FREEZING PROCESS: loop number 27 T-loop= 524.00000000000000
main_MD> interactions number 27 at Temperature= 524.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55922 1.97661 -3.18593
force_rgl> df(natom) 0.74385 1.17018 -2.81408
6505.0000 -110.28148 -107.00662 3.27487 2.01188 -107.29669 519.07368
6510.0000 -110.03173 -107.31272 2.71900 2.05771 -106.71690 548.13227
6515.0000 -110.51831 -107.73274 2.78557 1.99311 -107.53418 526.60150
6520.0000 -110.91137 -107.69127 3.22010 1.96098 -107.94072 504.06583
6525.0000 -110.23530 -106.90153 3.33377 2.00369 -107.40031 567.30582
6530.0000 -110.85443 -108.09014 2.76430 2.00337 -107.40440 561.93472
6535.0000 -111.20211 -108.29669 2.90542 1.91915 -108.46985 495.95036
6540.0000 -111.27625 -108.13676 3.13949 1.94923 -108.08928 509.68084
6545.0000 -111.45551 -108.26879 3.18672 1.94247 -108.17480 476.85293
6550.0000 -111.49619 -108.19352 3.30267 1.93597 -108.25707 493.57318
6555.0000 -110.49883 -107.49604 3.00280 1.98203 -107.67438 525.57692
6560.0000 -110.46212 -107.38765 3.07446 1.99940 -107.45455 515.90574
6565.0000 -110.54465 -106.94979 3.59486 1.99287 -107.53728 514.65489
6570.0000 -110.78377 -107.24355 3.54022 2.01979 -107.19666 549.07308
6575.0000 -109.70115 -106.45881 3.24234 2.07108 -106.54770 592.67755
6580.0000 -110.23959 -107.22321 3.01638 2.05940 -106.69552 583.96671
6585.0000 -110.44463 -107.08305 3.36158 2.03960 -106.94608 549.41705
6590.0000 -110.98105 -108.34719 2.63385 1.99752 -107.47838 535.98697
6595.0000 -111.00719 -108.42457 2.58262 1.92053 -108.45244 452.00278
6600.0000 -110.48744 -106.73830 3.74914 2.01214 -107.29341 537.86023
6605.0000 -110.09704 -107.56102 2.53602 2.00746 -107.35265 543.86947
6610.0000 -110.71368 -107.45118 3.26251 2.00807 -107.34493 527.79313
6615.0000 -109.89499 -106.81293 3.08206 2.00794 -107.34656 533.89470
6620.0000 -110.94458 -108.18772 2.75686 1.97645 -107.74502 508.98958
6625.0000 -111.61161 -108.80189 2.80972 1.93041 -108.32747 477.48790
6630.0000 -111.10840 -108.71048 2.39793 1.89100 -108.82604 427.82673
6635.0000 -110.40069 -107.54303 2.85766 1.92361 -108.41346 458.68571
6640.0000 -111.25584 -107.99171 3.26413 1.94041 -108.20094 473.79743
6645.0000 -109.76822 -107.23272 2.53550 2.00616 -107.36914 543.59443
6650.0000 -110.55828 -107.41558 3.14270 2.02229 -107.16500 566.19838
6655.0000 -110.57576 -107.65054 2.92522 1.99179 -107.55090 536.15825
6660.0000 -110.87532 -107.87029 3.00503 1.95613 -108.00204 504.09358
6665.0000 -110.21254 -107.32681 2.88573 1.96738 -107.85972 512.92933
6670.0000 -110.92228 -108.24449 2.67779 1.98955 -107.57924 523.56207
6675.0000 -110.84072 -107.87770 2.96302 1.97134 -107.80962 488.70004
6680.0000 -110.38796 -107.35210 3.03586 2.00652 -107.36459 543.14415
6685.0000 -110.14087 -106.57981 3.56107 2.03353 -107.02282 542.47539
6690.0000 -110.67814 -107.69233 2.98581 2.00461 -107.38870 531.69160
6695.0000 -110.99849 -108.65065 2.34785 1.94727 -108.11410 511.75552
6700.0000 -110.22173 -107.21103 3.01070 1.98966 -107.57785 555.21920
6705.0000 -110.65063 -106.64528 4.00534 2.01492 -107.25823 533.66345
6710.0000 -110.49726 -106.69663 3.80063 2.04351 -106.89649 546.61957
6715.0000 -110.44690 -107.18870 3.25820 2.02344 -107.15049 533.09728
6720.0000 -110.75584 -107.59701 3.15883 1.98583 -107.62632 523.24878
6725.0000 -110.80085 -108.21396 2.58690 1.97033 -107.82240 482.64926
6730.0000 -110.84592 -107.39868 3.44724 1.98791 -107.60003 497.22799
6735.0000 -111.05249 -108.35313 2.69936 1.97822 -107.72259 500.05372
6740.0000 -110.73500 -107.28786 3.44714 1.99593 -107.49847 529.86370
6745.0000 -110.30232 -107.45134 2.85098 1.99591 -107.49874 548.21095
6750.0000 -110.70651 -107.59121 3.11530 2.01686 -107.23367 573.04769
FREEZING PROCESS: loop number 28 T-loop= 499.00000000000000
main_MD> interactions number 28 at Temperature= 499.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19548 0.12765 -1.14758
force_rgl> df(natom) -2.16320 -1.50284 0.65265
6755.0000 -111.47073 -108.88083 2.58990 1.93904 -108.21830 489.88231
6760.0000 -111.11816 -108.43635 2.68181 1.90535 -108.64450 477.86779
6765.0000 -110.53265 -107.73640 2.79625 1.92459 -108.40101 493.18108
6770.0000 -111.23140 -108.62783 2.60358 1.96360 -107.90750 533.46050
6775.0000 -110.89128 -107.67024 3.22104 1.95985 -107.95492 529.58270
6780.0000 -111.43017 -108.27122 3.15895 1.96351 -107.90864 513.63296
6785.0000 -110.76610 -108.38362 2.38248 1.92050 -108.45281 467.73119
6790.0000 -111.25561 -108.34233 2.91328 1.94147 -108.18751 480.00716
6795.0000 -112.08128 -109.40616 2.67512 1.89081 -108.82847 459.36737
6800.0000 -111.60953 -109.16744 2.44209 1.83278 -109.56262 405.44476
6805.0000 -111.40377 -108.62507 2.77870 1.89112 -108.82453 441.58705
6810.0000 -111.47556 -108.73293 2.74263 1.89443 -108.78264 434.90905
6815.0000 -111.54753 -108.31734 3.23019 1.94124 -108.19048 494.11298
6820.0000 -110.89052 -108.26882 2.62169 1.92084 -108.44856 483.64620
6825.0000 -111.24193 -108.26190 2.98003 1.94296 -108.16871 490.40399
6830.0000 -110.94566 -107.92852 3.01714 1.97068 -107.81792 506.34809
6835.0000 -111.11688 -107.98031 3.13657 1.92588 -108.38473 473.46892
6840.0000 -110.73431 -107.59673 3.13758 1.96326 -107.91187 521.65966
6845.0000 -110.52773 -107.55183 2.97590 2.00865 -107.33755 545.81145
6850.0000 -110.89475 -108.09828 2.79648 1.96636 -107.87263 485.66037
6855.0000 -111.23458 -108.26246 2.97212 1.96200 -107.92777 480.48835
6860.0000 -111.30781 -108.66383 2.64398 1.94858 -108.09756 508.40987
6865.0000 -111.33942 -108.41900 2.92042 1.89935 -108.72035 457.94183
6870.0000 -111.01257 -108.29469 2.71788 1.90270 -108.67806 454.07988
6875.0000 -110.63287 -107.39638 3.23649 1.97116 -107.81195 521.54820
6880.0000 -110.44178 -106.96948 3.47230 2.03833 -106.96212 561.80902
6885.0000 -110.13579 -107.27541 2.86037 2.03492 -107.00517 549.11257
6890.0000 -110.32360 -107.82051 2.50310 1.98151 -107.68094 491.33210
6895.0000 -110.98381 -108.58134 2.40248 1.95109 -108.06586 470.96368
6900.0000 -111.52428 -108.94135 2.58293 1.90595 -108.63694 438.39551
6905.0000 -110.29880 -107.67088 2.62792 1.91610 -108.50852 443.73176
6910.0000 -110.53604 -108.41555 2.12049 1.93904 -108.21832 463.43336
6915.0000 -110.94043 -108.31076 2.62967 1.91759 -108.48958 437.62645
6920.0000 -110.49755 -107.57210 2.92545 1.96891 -107.84037 498.28673
6925.0000 -110.63274 -108.05954 2.57320 1.97533 -107.75916 499.57874
6930.0000 -110.45746 -107.75099 2.70647 1.95816 -107.97640 503.46477
6935.0000 -111.30297 -108.20153 3.10144 1.95239 -108.04936 515.88126
6940.0000 -111.21929 -108.25199 2.96730 1.93300 -108.29470 503.33622
6945.0000 -111.20333 -108.68656 2.51677 1.91184 -108.56239 475.95692
6950.0000 -111.11730 -108.72519 2.39210 1.91897 -108.47213 496.79230
6955.0000 -111.30311 -109.10107 2.20204 1.87715 -109.00121 447.19894
6960.0000 -111.92715 -108.74885 3.17830 1.90248 -108.68084 469.78381
6965.0000 -111.26662 -108.31326 2.95335 1.93082 -108.32225 511.78365
6970.0000 -111.66455 -108.77537 2.88918 1.91093 -108.57393 477.92696
6975.0000 -111.35251 -108.99513 2.35738 1.89568 -108.76676 469.69476
6980.0000 -110.97463 -108.25138 2.72325 1.92610 -108.38201 511.64165
6985.0000 -111.25958 -108.53897 2.72061 1.92125 -108.44338 500.19484
6990.0000 -111.38187 -107.99667 3.38521 1.94638 -108.12540 528.76783
6995.0000 -111.36366 -109.22280 2.14085 1.89350 -108.79443 469.31883
7000.0000 -111.47040 -108.39760 3.07280 1.91038 -108.58081 491.49258
FREEZING PROCESS: loop number 29 T-loop= 474.00000000000000
main_MD> interactions number 29 at Temperature= 474.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21129 -0.33568 0.71427
force_rgl> df(natom) 1.68722 0.42462 -0.36773
7005.0000 -111.20890 -108.82541 2.38349 1.88573 -108.89271 460.83386
7010.0000 -111.48405 -108.87637 2.60768 1.91508 -108.52133 488.98834
7015.0000 -111.40562 -108.40809 2.99753 1.91194 -108.56111 490.58833
7020.0000 -111.27963 -107.72761 3.55203 1.90264 -108.67879 485.08401
7025.0000 -110.63886 -107.75654 2.88233 1.95529 -108.01269 484.61657
7030.0000 -111.15851 -107.62977 3.52873 1.95820 -107.97585 509.04429
7035.0000 -110.67689 -107.88526 2.79163 1.97372 -107.77951 502.39681
7040.0000 -110.41628 -107.86583 2.55044 1.95838 -107.97356 487.08553
7045.0000 -110.34054 -107.89765 2.44289 1.98408 -107.64843 502.33904
7050.0000 -110.73794 -108.42699 2.31095 1.94100 -108.19340 454.60273
7055.0000 -111.09184 -108.25971 2.83213 1.91305 -108.54712 453.23900
7060.0000 -110.97981 -108.39797 2.58184 1.92769 -108.36188 471.72629
7065.0000 -110.80064 -108.47166 2.32897 1.92454 -108.40168 449.51359
7070.0000 -110.91950 -108.50902 2.41048 1.92487 -108.39758 452.53471
7075.0000 -111.40322 -108.85685 2.54636 1.89877 -108.72778 452.46652
7080.0000 -110.85130 -108.52858 2.32272 1.88897 -108.85173 441.34144
7085.0000 -111.60702 -108.51326 3.09376 1.92562 -108.38801 472.80184
7090.0000 -111.12500 -108.99228 2.13272 1.90184 -108.68885 445.47189
7095.0000 -110.71008 -108.38679 2.32329 1.92077 -108.44942 474.09464
7100.0000 -111.49084 -108.68777 2.80307 1.90513 -108.64722 457.48102
7105.0000 -110.73768 -107.81330 2.92438 1.93339 -108.28969 479.09431
7110.0000 -111.08367 -108.03961 3.04406 1.95635 -107.99928 501.73825
7115.0000 -110.65608 -107.89192 2.76416 1.96929 -107.83552 509.75626
7120.0000 -111.07042 -108.35812 2.71230 1.97969 -107.70402 526.21740
7125.0000 -111.77390 -109.00071 2.77319 1.91486 -108.52411 473.69842
7130.0000 -111.72638 -109.37136 2.35502 1.87752 -108.99661 461.19510
7135.0000 -111.72243 -108.61674 3.10569 1.90227 -108.68345 473.59421
7140.0000 -111.90030 -108.98361 2.91670 1.88874 -108.85466 468.46270
7145.0000 -111.03572 -108.65033 2.38539 1.89886 -108.72661 483.17025
7150.0000 -111.66285 -108.99721 2.66564 1.89115 -108.82414 478.21011
7155.0000 -112.05618 -109.81073 2.24546 1.81770 -109.75341 402.24124
7160.0000 -111.28657 -108.41391 2.87266 1.83795 -109.49722 417.68716
7165.0000 -110.96800 -108.37293 2.59507 1.91714 -108.49531 479.15905
7170.0000 -110.82894 -107.98640 2.84255 1.90377 -108.66443 478.45883
7175.0000 -111.10179 -108.52830 2.57349 1.94489 -108.14429 512.34982
7180.0000 -110.98360 -107.89497 3.08863 1.92575 -108.38644 505.42476
7185.0000 -111.02883 -108.05850 2.97033 1.97118 -107.81159 502.09113
7190.0000 -111.05106 -107.98963 3.06143 1.97590 -107.75194 493.69904
7195.0000 -110.98455 -107.71506 3.26949 1.94358 -108.16077 475.56664
7200.0000 -111.36656 -108.56907 2.79748 1.93332 -108.29058 484.13935
7205.0000 -111.07666 -108.27631 2.80035 1.97426 -107.77269 533.06590
7210.0000 -110.61068 -107.79072 2.81996 1.95932 -107.96167 503.32120
7215.0000 -110.33561 -107.46440 2.87121 1.99149 -107.55466 525.22503
7220.0000 -111.20240 -108.54320 2.65921 1.97449 -107.76974 508.02303
7225.0000 -111.15123 -107.64871 3.50253 1.95786 -107.98014 498.66550
7230.0000 -111.09933 -108.22077 2.87856 1.95587 -108.00530 513.49175
7235.0000 -111.56163 -108.62066 2.94097 1.92574 -108.38658 501.23034
7240.0000 -111.57697 -108.27953 3.29745 1.91274 -108.55100 487.39734
7245.0000 -111.85796 -109.66781 2.19015 1.88130 -108.94878 452.83327
7250.0000 -111.27908 -108.65864 2.62044 1.87467 -109.03268 408.55957
FREEZING PROCESS: loop number 30 T-loop= 449.00000000000000
main_MD> interactions number 30 at Temperature= 449.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.52169 -1.66157 -0.66653
force_rgl> df(natom) -0.29941 -0.66319 2.73207
7255.0000 -111.03328 -108.36722 2.66606 1.95458 -108.02166 476.12411
7260.0000 -111.17238 -108.55982 2.61256 1.92657 -108.37606 469.00081
7265.0000 -110.65162 -108.49054 2.16108 1.90918 -108.59604 445.74868
7270.0000 -111.32439 -109.01027 2.31411 1.87949 -108.97162 433.62490
7275.0000 -111.64974 -108.51987 3.12987 1.89119 -108.82369 438.53949
7280.0000 -111.13640 -108.57103 2.56537 1.92304 -108.42070 463.73801
7285.0000 -111.88438 -109.37768 2.50670 1.86968 -109.09580 436.47783
7290.0000 -111.74331 -109.21004 2.53327 1.85645 -109.26309 408.99775
7295.0000 -110.98524 -108.28462 2.70062 1.88784 -108.86605 439.41453
7300.0000 -111.70802 -109.35350 2.35452 1.89537 -108.77079 438.75123
7305.0000 -111.36671 -108.41080 2.95590 1.88212 -108.93837 431.16339
7310.0000 -111.45254 -108.58039 2.87215 1.90893 -108.59916 485.03915
7315.0000 -111.80508 -109.24853 2.55655 1.88686 -108.87837 465.85338
7320.0000 -111.39375 -109.24955 2.14421 1.87862 -108.98270 429.65275
7325.0000 -111.40589 -108.71287 2.69302 1.89367 -108.79225 433.60193
7330.0000 -110.15974 -107.77242 2.38732 1.91451 -108.52862 459.97834
7335.0000 -111.85933 -109.00741 2.85192 1.91752 -108.49047 450.82476
7340.0000 -111.20216 -108.65955 2.54261 1.89177 -108.81625 438.43372
7345.0000 -111.19025 -109.05451 2.13573 1.87702 -109.00293 422.38598
7350.0000 -111.15069 -108.63315 2.51754 1.87779 -108.99315 416.23025
7355.0000 -111.69953 -109.20634 2.49319 1.87960 -108.97032 420.54253
7360.0000 -111.64594 -109.38796 2.25798 1.87099 -109.07917 395.68650
7365.0000 -111.81344 -109.50224 2.31120 1.82889 -109.61187 384.39103
7370.0000 -111.21179 -108.38392 2.82788 1.88451 -108.90818 449.29544
7375.0000 -111.57376 -108.20376 3.37000 1.94445 -108.14983 519.45428
7380.0000 -111.71383 -109.25880 2.45503 1.89724 -108.74708 454.37134
7385.0000 -111.12625 -108.39631 2.72994 1.93730 -108.24027 470.44304
7390.0000 -111.84811 -109.21831 2.62980 1.88837 -108.85933 445.33243
7395.0000 -111.56298 -108.85883 2.70415 1.85440 -109.28906 394.58591
7400.0000 -111.55429 -108.59634 2.95795 1.90453 -108.65487 444.17094
7405.0000 -110.97075 -108.00168 2.96907 1.91518 -108.52017 469.11015
7410.0000 -111.73616 -108.98948 2.74668 1.89442 -108.78279 436.65289
7415.0000 -111.87182 -109.14497 2.72686 1.88660 -108.88164 442.57582
7420.0000 -111.93908 -108.44619 3.49288 1.89194 -108.81418 438.18688
7425.0000 -111.01050 -108.46466 2.54584 1.95068 -108.07102 478.31321
7430.0000 -111.10597 -108.92079 2.18518 1.88635 -108.88488 423.79605
7435.0000 -111.09821 -108.09169 3.00651 1.90930 -108.59457 455.09072
7440.0000 -111.06968 -108.83451 2.23518 1.92755 -108.36364 477.00007
7445.0000 -111.16061 -108.51658 2.64403 1.88249 -108.93366 436.77559
7450.0000 -111.82961 -109.25483 2.57478 1.88687 -108.87829 442.41083
7455.0000 -112.15310 -109.99592 2.15718 1.81172 -109.82901 371.24207
7460.0000 -111.52538 -109.07548 2.44990 1.83974 -109.47460 404.48853
7465.0000 -111.39895 -108.84780 2.55115 1.87481 -109.03088 436.67857
7470.0000 -112.03648 -109.59464 2.44184 1.89312 -108.79923 451.82974
7475.0000 -111.83125 -109.07978 2.75147 1.86851 -109.11052 443.97424
7480.0000 -112.26657 -109.33217 2.93440 1.84880 -109.35996 429.96149
7485.0000 -111.75395 -108.22971 3.52424 1.85584 -109.27088 435.67853
7490.0000 -111.29473 -108.21400 3.08073 1.94079 -108.19611 502.33413
7495.0000 -112.08394 -109.52470 2.55924 1.86013 -109.21660 431.52326
7500.0000 -111.82825 -109.39681 2.43143 1.85584 -109.27089 418.24565
FREEZING PROCESS: loop number 31 T-loop= 424.00000000000000
main_MD> interactions number 31 at Temperature= 424.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65398 -1.71626 0.25934
force_rgl> df(natom) -0.71717 1.58820 0.40567
7505.0000 -111.56894 -109.44007 2.12887 1.88170 -108.94369 433.99276
7510.0000 -111.29628 -108.83041 2.46587 1.88395 -108.91520 448.91809
7515.0000 -112.05457 -109.30189 2.75267 1.87083 -109.08123 437.77645
7520.0000 -111.70980 -109.24833 2.46147 1.84572 -109.39892 414.80918
7525.0000 -112.15930 -109.38712 2.77219 1.85804 -109.24304 406.36834
7530.0000 -111.99446 -110.13145 1.86301 1.82759 -109.62826 386.26208
7535.0000 -111.83765 -109.37973 2.45793 1.81504 -109.78700 367.42167
7540.0000 -112.09422 -109.77930 2.31492 1.84038 -109.46642 402.61386
7545.0000 -112.00636 -110.23033 1.77602 1.79219 -110.07615 355.82753
7550.0000 -111.63987 -109.12531 2.51455 1.85074 -109.33543 408.11399
7555.0000 -112.07958 -109.88111 2.19847 1.82477 -109.66395 387.87107
7560.0000 -111.77094 -109.54484 2.22610 1.79691 -110.01647 355.92226
7565.0000 -111.77664 -109.10320 2.67344 1.85149 -109.32589 404.57972
7570.0000 -111.98240 -109.75722 2.22518 1.82103 -109.71121 374.56508
7575.0000 -111.42463 -109.29784 2.12679 1.81336 -109.80824 345.84824
7580.0000 -112.12773 -109.77473 2.35300 1.83863 -109.48861 374.92230
7585.0000 -111.02027 -108.72502 2.29525 1.85564 -109.27337 401.36006
7590.0000 -111.26530 -108.78729 2.47801 1.90683 -108.62579 448.31230
7595.0000 -111.91579 -109.64989 2.26590 1.87671 -109.00680 404.12199
7600.0000 -111.07045 -109.07814 1.99230 1.84975 -109.34791 406.46965
7605.0000 -111.49593 -109.12398 2.37195 1.87149 -109.07284 438.45889
7610.0000 -111.78818 -109.54252 2.24566 1.86498 -109.15528 445.23693
7615.0000 -112.09025 -110.06784 2.02241 1.82791 -109.62420 414.28380
7620.0000 -112.67907 -110.70923 1.96984 1.75413 -110.55759 339.55476
7625.0000 -112.79574 -110.55623 2.23951 1.76624 -110.40439 349.38123
7630.0000 -112.04388 -109.43920 2.60468 1.80073 -109.96805 384.57782
7635.0000 -112.01986 -109.91430 2.10555 1.83567 -109.52603 410.35574
7640.0000 -111.23143 -109.34856 1.88287 1.82275 -109.68950 405.28801
7645.0000 -112.01332 -109.43496 2.57836 1.83598 -109.52216 412.80294
7650.0000 -112.07536 -109.57766 2.49770 1.82452 -109.66708 413.32578
7655.0000 -112.31674 -109.77127 2.54547 1.80787 -109.87771 392.73469
7660.0000 -112.15413 -110.01646 2.13767 1.81584 -109.77690 402.98076
7665.0000 -111.60142 -109.00460 2.59682 1.83780 -109.49907 424.50882
7670.0000 -112.34481 -109.96648 2.37833 1.85063 -109.33673 423.99352
7675.0000 -111.94345 -109.68508 2.25837 1.81642 -109.76963 401.91672
7680.0000 -112.11146 -109.84198 2.26948 1.81366 -109.80455 389.72694
7685.0000 -112.15588 -109.52429 2.63159 1.81721 -109.75958 400.37486
7690.0000 -112.39784 -110.01405 2.38378 1.83867 -109.48805 422.77502
7695.0000 -111.69004 -109.22682 2.46322 1.81844 -109.74400 409.70446
7700.0000 -112.06856 -109.92081 2.14775 1.82321 -109.68365 417.80757
7705.0000 -112.17492 -109.13609 3.03884 1.81664 -109.76676 402.86060
7710.0000 -111.66414 -109.07088 2.59325 1.84674 -109.38596 433.97030
7715.0000 -110.84242 -108.08749 2.75494 1.91280 -108.55026 492.98073
7720.0000 -111.71900 -109.16949 2.54952 1.90399 -108.66169 458.24880
7725.0000 -110.98650 -108.71221 2.27428 1.89214 -108.81165 431.22597
7730.0000 -111.21123 -108.94168 2.26955 1.89066 -108.83029 432.49236
7735.0000 -111.00474 -108.68148 2.32326 1.89781 -108.73989 424.28099
7740.0000 -111.24735 -108.94840 2.29895 1.91878 -108.47457 454.48219
7745.0000 -112.13352 -109.89646 2.23705 1.86455 -109.16064 426.94596
7750.0000 -111.54851 -108.97800 2.57051 1.82914 -109.60860 394.26351
FREEZING PROCESS: loop number 32 T-loop= 399.00000000000000
main_MD> interactions number 32 at Temperature= 399.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.27716 0.16807 -1.85050
force_rgl> df(natom) -1.61182 -4.28412 1.34919
7755.0000 -112.07575 -109.69281 2.38294 1.87255 -109.05949 424.14763
7760.0000 -112.00632 -109.60063 2.40569 1.83024 -109.59472 386.34490
7765.0000 -111.99609 -109.30507 2.69102 1.84084 -109.46068 404.75401
7770.0000 -111.58414 -109.43677 2.14737 1.83984 -109.47329 401.50951
7775.0000 -111.41116 -109.34020 2.07096 1.85309 -109.30570 407.47790
7780.0000 -112.23255 -109.75756 2.47499 1.84833 -109.36591 407.01758
7785.0000 -112.12034 -109.97132 2.14902 1.82456 -109.66656 380.63493
7790.0000 -110.97689 -109.26944 1.70746 1.82423 -109.67072 382.20619
7795.0000 -111.83112 -109.31925 2.51187 1.85651 -109.26243 423.68949
7800.0000 -111.90962 -109.64116 2.26846 1.85505 -109.28086 417.79234
7805.0000 -111.95429 -109.64318 2.31110 1.82604 -109.64792 379.11225
7810.0000 -112.00967 -110.06929 1.94038 1.79675 -110.01843 368.70477
7815.0000 -112.14960 -109.97862 2.17098 1.80238 -109.94727 369.38537
7820.0000 -112.00909 -109.55171 2.45738 1.82862 -109.61518 409.82210
7825.0000 -112.19025 -109.89086 2.29940 1.82461 -109.66596 387.56806
7830.0000 -111.91121 -109.29894 2.61227 1.83807 -109.49567 396.81858
7835.0000 -111.71298 -109.69506 2.01792 1.84051 -109.46476 415.83815
7840.0000 -112.47942 -110.07098 2.40844 1.81266 -109.81719 395.26527
7845.0000 -112.75390 -110.49164 2.26226 1.76888 -110.37098 349.87773
7850.0000 -112.53854 -110.75725 1.78129 1.75243 -110.57911 336.42248
7855.0000 -112.37358 -110.17607 2.19751 1.78512 -110.16551 365.79523
7860.0000 -111.79408 -109.50555 2.28853 1.83592 -109.52286 416.31645
7865.0000 -111.68482 -109.81403 1.87079 1.82325 -109.68320 393.87362
7870.0000 -111.89378 -109.49625 2.39753 1.80656 -109.89430 359.60236
7875.0000 -111.66055 -109.26853 2.39203 1.84314 -109.43155 390.06017
7880.0000 -112.13189 -109.57276 2.55913 1.84901 -109.35733 398.45405
7885.0000 -111.48918 -109.29524 2.19395 1.85187 -109.32107 400.83773
7890.0000 -111.23706 -108.85755 2.37951 1.87934 -108.97354 418.40823
7895.0000 -111.55543 -108.64931 2.90612 1.90109 -108.69842 443.94433
7900.0000 -111.78369 -108.99333 2.79035 1.87603 -109.01549 429.40348
7905.0000 -111.65122 -109.29987 2.35135 1.86359 -109.17282 421.44576
7910.0000 -111.46224 -109.45212 2.01012 1.85007 -109.34382 429.57364
7915.0000 -111.97163 -110.06609 1.90554 1.79923 -109.98712 371.26942
7920.0000 -112.35149 -109.69354 2.65795 1.83172 -109.57600 414.04648
7925.0000 -111.85025 -109.44238 2.40787 1.83455 -109.54017 433.92147
7930.0000 -112.07436 -109.92698 2.14738 1.82242 -109.69369 400.26515
7935.0000 -111.78474 -109.63067 2.15406 1.80066 -109.96893 389.04207
7940.0000 -112.19515 -109.60204 2.59311 1.84588 -109.39686 432.36057
7945.0000 -111.86677 -109.36112 2.50566 1.86650 -109.13593 452.18483
7950.0000 -112.43469 -109.94642 2.48827 1.83762 -109.50138 409.46657
7955.0000 -112.83469 -110.31666 2.51803 1.79552 -110.03397 378.07430
7960.0000 -112.21990 -109.64832 2.57158 1.79325 -110.06274 379.37276
7965.0000 -112.57833 -110.14865 2.42968 1.79660 -110.02040 385.26814
7970.0000 -111.88829 -109.87177 2.01652 1.80546 -109.90820 397.02178
7975.0000 -112.24869 -110.46793 1.78076 1.78532 -110.16298 366.90690
7980.0000 -112.03056 -110.34924 1.68132 1.75825 -110.50556 345.93101
7985.0000 -112.03095 -109.88045 2.15051 1.80240 -109.94694 381.39459
7990.0000 -112.55709 -110.43115 2.12594 1.81395 -109.80081 389.91468
7995.0000 -112.33795 -110.00399 2.33396 1.77638 -110.27620 356.80788
8000.0000 -112.33470 -110.27591 2.05879 1.79851 -109.99618 379.41490
FREEZING PROCESS: loop number 33 T-loop= 374.00000000000000
main_MD> interactions number 33 at Temperature= 374.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.44406 -1.33166 -0.64842
force_rgl> df(natom) -1.13977 0.31804 1.34988
8005.0000 -111.92008 -109.65240 2.26768 1.79582 -110.03018 369.16178
8010.0000 -111.87111 -109.65726 2.21386 1.79279 -110.06858 373.07275
8015.0000 -111.75880 -109.49992 2.25888 1.84821 -109.36734 426.77313
8020.0000 -112.90613 -110.63559 2.27054 1.80447 -109.92081 379.84091
8025.0000 -112.76050 -110.71568 2.04482 1.74019 -110.73401 323.72563
8030.0000 -113.05292 -111.07143 1.98149 1.72830 -110.88446 314.28574
8035.0000 -112.25201 -110.18389 2.06811 1.73463 -110.80431 321.42595
8040.0000 -112.40615 -110.43891 1.96724 1.77067 -110.34843 362.94349
8045.0000 -112.50684 -110.26612 2.24071 1.79425 -110.05009 380.81882
8050.0000 -112.15219 -109.47097 2.68122 1.80701 -109.88857 400.34959
8055.0000 -112.36224 -109.71789 2.64434 1.82283 -109.68853 401.10642
8060.0000 -112.45547 -110.25722 2.19825 1.81222 -109.82265 399.47856
8065.0000 -111.89701 -109.15295 2.74406 1.81990 -109.72554 403.06214
8070.0000 -111.59774 -109.73157 1.86617 1.82105 -109.71099 404.21719
8075.0000 -112.19113 -109.95722 2.23391 1.81883 -109.73906 406.00024
8080.0000 -112.12475 -109.97726 2.14749 1.80750 -109.88249 391.29850
8085.0000 -112.55105 -110.20459 2.34646 1.79959 -109.98253 386.73608
8090.0000 -112.68291 -110.41841 2.26449 1.76419 -110.43032 349.82898
8095.0000 -112.16975 -110.09962 2.07013 1.78880 -110.11902 361.99624
8100.0000 -112.31296 -110.41157 1.90139 1.77439 -110.30126 350.20789
8105.0000 -111.89599 -109.62314 2.27285 1.80436 -109.92211 392.80414
8110.0000 -112.15811 -110.26287 1.89524 1.79689 -110.01663 385.75628
8115.0000 -112.10300 -110.07600 2.02700 1.78747 -110.13587 377.69421
8120.0000 -112.20696 -110.04556 2.16140 1.79104 -110.09073 366.05909
8125.0000 -112.52752 -110.32399 2.20352 1.77209 -110.33042 355.96423
8130.0000 -112.66194 -110.80705 1.85490 1.75645 -110.52825 340.60155
8135.0000 -112.31607 -110.55009 1.76598 1.76216 -110.45601 345.36019
8140.0000 -112.39962 -110.16411 2.23551 1.77581 -110.28338 364.19853
8145.0000 -112.19039 -110.14587 2.04453 1.77354 -110.31211 356.36133
8150.0000 -112.09821 -109.45660 2.64161 1.78986 -110.10562 371.33687
8155.0000 -112.30732 -110.03654 2.27078 1.83593 -109.52275 424.28303
8160.0000 -112.02724 -109.89842 2.12882 1.79816 -110.00055 381.43419
8165.0000 -112.20106 -110.36856 1.83250 1.78300 -110.19242 366.80353
8170.0000 -112.20117 -110.12816 2.07300 1.79083 -110.09330 371.34193
8175.0000 -111.47673 -109.44309 2.03363 1.80678 -109.89152 371.70909
8180.0000 -111.96637 -109.83871 2.12766 1.83243 -109.56699 398.46026
8185.0000 -112.13017 -109.67467 2.45549 1.81462 -109.79232 376.11339
8190.0000 -111.77045 -109.37255 2.39790 1.82228 -109.69543 383.48204
8195.0000 -111.55872 -109.34976 2.20896 1.85500 -109.28149 375.03702
8200.0000 -111.92294 -109.56055 2.36239 1.83062 -109.58995 388.95939
8205.0000 -111.71385 -109.43222 2.28163 1.81531 -109.78365 382.64818
8210.0000 -112.27845 -110.27467 2.00378 1.80010 -109.97610 377.75626
8215.0000 -112.08070 -110.13651 1.94418 1.78695 -110.14238 373.59445
8220.0000 -112.41240 -109.57933 2.83307 1.80766 -109.88043 381.43670
8225.0000 -111.88549 -109.46264 2.42285 1.84316 -109.43132 420.54253
8230.0000 -112.28545 -110.07292 2.21253 1.80289 -109.94070 389.02070
8235.0000 -112.76402 -110.48010 2.28391 1.77282 -110.32119 360.10929
8240.0000 -112.49806 -110.20035 2.29771 1.77119 -110.34183 356.99837
8245.0000 -112.61181 -110.34499 2.26682 1.79934 -109.98573 384.60323
8250.0000 -112.44312 -110.52756 1.91556 1.75727 -110.51789 347.62816
FREEZING PROCESS: loop number 34 T-loop= 349.00000000000000
main_MD> interactions number 34 at Temperature= 349.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18858 -3.03174 0.24005
force_rgl> df(natom) 0.32041 2.68479 2.15599
8255.0000 -112.22364 -110.50215 1.72148 1.75567 -110.53815 340.92304
8260.0000 -112.42352 -110.24230 2.18122 1.77486 -110.29540 355.02820
8265.0000 -112.67676 -110.81005 1.86671 1.74646 -110.65463 325.14581
8270.0000 -112.69679 -110.62628 2.07051 1.73303 -110.82460 320.40056
8275.0000 -112.48938 -110.15334 2.33603 1.77672 -110.27185 367.87484
8280.0000 -112.61125 -110.59279 2.01846 1.77471 -110.29732 362.51997
8285.0000 -112.42379 -110.55803 1.86575 1.75177 -110.58745 325.56625
8290.0000 -111.95768 -109.92226 2.03542 1.77986 -110.23209 339.73461
8295.0000 -111.95130 -110.34537 1.60592 1.79605 -110.02731 357.25263
8300.0000 -112.21083 -110.35435 1.85647 1.75634 -110.52966 323.59779
8305.0000 -112.46755 -110.74710 1.72044 1.76415 -110.43093 333.47853
8310.0000 -112.09431 -110.18714 1.90717 1.76547 -110.41414 339.01090
8315.0000 -112.63269 -110.63122 2.00146 1.78022 -110.22750 353.90728
8320.0000 -112.60612 -110.48101 2.12511 1.73698 -110.77461 321.65306
8325.0000 -112.21208 -110.23979 1.97229 1.76565 -110.41196 351.11903
8330.0000 -112.14472 -109.80897 2.33575 1.80755 -109.88174 385.10920
8335.0000 -112.63675 -110.65689 1.97986 1.77185 -110.33346 352.73020
8340.0000 -112.02051 -110.15015 1.87035 1.77619 -110.27852 358.70654
8345.0000 -112.69909 -110.64704 2.05206 1.74741 -110.64264 334.43081
8350.0000 -112.65700 -110.51071 2.14629 1.76012 -110.48189 338.44800
8355.0000 -112.22670 -110.13026 2.09644 1.75675 -110.52451 339.52231
8360.0000 -112.21401 -110.13096 2.08305 1.79034 -110.09956 380.12237
8365.0000 -112.42908 -110.45972 1.96936 1.76208 -110.45701 356.06138
8370.0000 -112.56533 -110.58465 1.98069 1.76341 -110.44022 348.38586
8375.0000 -112.81046 -111.01539 1.79507 1.73756 -110.76731 319.99675
8380.0000 -113.00967 -111.38722 1.62245 1.70285 -111.20644 287.39929
8385.0000 -112.19000 -110.23102 1.95898 1.74220 -110.70859 323.68382
8390.0000 -112.33452 -110.41028 1.92424 1.79711 -110.01386 375.26571
8395.0000 -112.47566 -110.59697 1.87869 1.77049 -110.35071 349.85154
8400.0000 -112.40102 -110.22129 2.17973 1.76447 -110.42677 353.40294
8405.0000 -112.76493 -110.33738 2.42754 1.78454 -110.17296 367.02571
8410.0000 -112.01583 -110.20555 1.81028 1.78317 -110.19020 367.80551
8415.0000 -112.53240 -110.19897 2.33343 1.78740 -110.13677 366.14661
8420.0000 -112.88519 -110.50905 2.37614 1.75939 -110.49107 344.01111
8425.0000 -112.48157 -110.17130 2.31027 1.78771 -110.13282 368.55344
8430.0000 -111.98898 -109.83722 2.15176 1.78699 -110.14188 370.99953
8435.0000 -112.55518 -110.30241 2.25277 1.79541 -110.03535 376.54845
8440.0000 -112.47166 -110.31822 2.15344 1.78393 -110.18060 374.92439
8445.0000 -112.16636 -109.89566 2.27069 1.78408 -110.17869 365.66056
8450.0000 -112.40960 -110.40831 2.00129 1.78582 -110.15668 360.86866
8455.0000 -112.32492 -110.35899 1.96593 1.76292 -110.44641 351.39812
8460.0000 -112.30400 -110.10055 2.20345 1.77745 -110.26257 360.08828
8465.0000 -111.99544 -109.63317 2.36228 1.78682 -110.14412 365.57586
8470.0000 -111.96261 -110.19157 1.77103 1.81951 -109.73046 404.08489
8475.0000 -112.33747 -110.11041 2.22706 1.77253 -110.32481 358.30322
8480.0000 -112.10141 -110.20489 1.89652 1.77646 -110.27512 364.68023
8485.0000 -112.88106 -111.10076 1.78030 1.76721 -110.39214 361.87506
8490.0000 -112.64482 -110.59344 2.05138 1.70533 -111.17503 290.88421
8495.0000 -112.69123 -110.82929 1.86194 1.74330 -110.69464 327.84970
8500.0000 -112.50978 -110.27404 2.23574 1.75931 -110.49214 347.54324
FREEZING PROCESS: loop number 35 T-loop= 324.00000000000000
main_MD> interactions number 35 at Temperature= 324.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35242 -1.50694 -1.05751
force_rgl> df(natom) 0.83589 1.44285 -0.32850
8505.0000 -112.69627 -110.72756 1.96872 1.76559 -110.41267 350.43449
8510.0000 -112.77502 -110.80672 1.96830 1.72217 -110.96193 311.08425
8515.0000 -112.51561 -110.80202 1.71359 1.71990 -110.99064 308.69439
8520.0000 -112.63741 -110.51280 2.12460 1.73211 -110.83625 316.83734
8525.0000 -112.57908 -110.73209 1.84699 1.74913 -110.62090 335.73171
8530.0000 -112.66706 -111.02144 1.64562 1.74206 -110.71034 329.26475
8535.0000 -112.50164 -110.65690 1.84474 1.71094 -111.10402 291.74391
8540.0000 -112.28487 -110.23712 2.04776 1.76028 -110.47986 340.41127
8545.0000 -112.72390 -110.41284 2.31106 1.77630 -110.27711 360.93636
8550.0000 -112.44014 -110.61703 1.82311 1.75497 -110.54706 340.54962
8555.0000 -112.58470 -110.53477 2.04993 1.75301 -110.57185 337.81351
8560.0000 -112.33549 -110.51967 1.81582 1.77289 -110.32026 358.64243
8565.0000 -113.07529 -110.62226 2.45303 1.75268 -110.57596 334.36249
8570.0000 -112.82603 -110.88009 1.94594 1.72665 -110.90536 300.85250
8575.0000 -112.11964 -110.20210 1.91754 1.76512 -110.41855 342.98406
8580.0000 -112.23259 -109.92017 2.31242 1.78547 -110.16116 367.78384
8585.0000 -112.18840 -110.08385 2.10455 1.78124 -110.21467 357.70257
8590.0000 -112.37501 -110.52994 1.84507 1.77161 -110.33648 354.41932
8595.0000 -112.32769 -110.77358 1.55411 1.71548 -111.04660 292.74298
8600.0000 -112.89459 -110.93593 1.95866 1.72255 -110.95714 299.11280
8605.0000 -112.58040 -110.82110 1.75930 1.73720 -110.77184 322.75546
8610.0000 -112.88523 -110.53984 2.34539 1.72521 -110.92351 312.66631
8615.0000 -112.56799 -110.51066 2.05733 1.77979 -110.23300 366.52045
8620.0000 -112.81253 -110.66610 2.14643 1.73304 -110.82449 318.11413
8625.0000 -112.49734 -109.86509 2.63225 1.79302 -110.06561 377.83878
8630.0000 -112.41534 -110.44509 1.97024 1.78624 -110.15135 374.66212
8635.0000 -112.34927 -110.31447 2.03480 1.78128 -110.21419 372.27199
8640.0000 -112.29027 -110.67948 1.61079 1.76309 -110.44427 343.04704
8645.0000 -112.44915 -110.85753 1.59162 1.73566 -110.79130 318.89318
8650.0000 -112.61800 -111.11495 1.50305 1.70661 -111.15883 290.72205
8655.0000 -112.84918 -110.97729 1.87189 1.71705 -111.02679 298.32326
8660.0000 -111.81549 -110.06899 1.74650 1.77525 -110.29044 351.15604
8665.0000 -112.38246 -110.70689 1.67557 1.75489 -110.54807 334.78549
8670.0000 -112.63275 -111.02700 1.60575 1.74586 -110.66227 325.10112
8675.0000 -112.70823 -111.08325 1.62498 1.71580 -111.04257 301.48966
8680.0000 -112.39250 -110.59935 1.79315 1.72888 -110.87703 305.93099
8685.0000 -112.55104 -110.43675 2.11429 1.74649 -110.65426 325.87389
8690.0000 -112.57741 -110.75518 1.82222 1.74586 -110.66224 327.20761
8695.0000 -112.45708 -110.20187 2.25521 1.74792 -110.63626 326.43685
8700.0000 -112.38889 -110.71417 1.67472 1.75860 -110.50113 334.29025
8705.0000 -112.45524 -110.37135 2.08389 1.76908 -110.36844 352.51567
8710.0000 -112.81422 -110.92578 1.88844 1.75602 -110.53374 336.07930
8715.0000 -112.20188 -110.15512 2.04676 1.76123 -110.46783 343.42824
8720.0000 -112.08063 -110.51397 1.56666 1.74388 -110.68727 328.18739
8725.0000 -112.33247 -110.16736 2.16511 1.76130 -110.46687 346.15090
8730.0000 -112.19153 -110.57577 1.61576 1.73953 -110.74238 322.51872
8735.0000 -112.47543 -110.33254 2.14289 1.77248 -110.32551 358.95114
8740.0000 -112.25817 -110.50624 1.75193 1.78428 -110.17616 364.31947
8745.0000 -112.21558 -110.49231 1.72327 1.74191 -110.71228 326.47309
8750.0000 -112.34884 -110.14215 2.20670 1.77944 -110.23749 365.33035
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 8 [min], 42.8370440 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink