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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_84/freeze.log

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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_84.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 = 84 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 84 8400
main_MD> Size of nv and nvoiz: 84 8400
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 = 84
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> 9.9258055071960338E-002 -6.1867375235937265E-002 -0.12822719250421141 initial drift of cluster / NP1 for coalescence
init> 0.33617890143321399 0.35288969283530242 0.33040275577093431 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6218773908596505E-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) 0.73344 -0.55697 -2.87999
force_rgl> df(natom) 0.19334 -2.00171 -1.35075
preparo> THERMALIZATION PROCESS AT 1137.7946590885081
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -186.87546181253822 10.537549745430253 -197.41301155796847 6.6973701433033857E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1113.0000000000000
main_MD> interactions number 1 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30012 1.35165 -2.36763
force_rgl> df(natom) 7.19682 9.98288 10.20829
5.0000 -201.03491 -187.09062 13.94430 3.16658 -187.06448 1118.59893
10.0000 -201.10265 -187.64526 13.45739 3.18088 -186.79015 1161.71116
15.0000 -200.83313 -189.02562 11.80751 3.04910 -189.31777 1072.11761
20.0000 -195.89764 -185.07503 10.82261 3.16372 -187.11923 1132.33446
25.0000 -199.43559 -185.02072 14.41488 3.26535 -185.16988 1210.52014
30.0000 -197.44493 -182.52813 14.91679 3.31329 -184.25055 1246.66342
35.0000 -200.39933 -187.87175 12.52758 3.25498 -185.36884 1213.58164
40.0000 -199.68559 -186.96774 12.71785 3.16114 -187.16869 1145.71787
45.0000 -198.33907 -187.59362 10.74546 3.22830 -185.88068 1182.00579
50.0000 -198.33968 -185.79642 12.54326 3.19446 -186.52959 1144.03120
55.0000 -200.61865 -186.45606 14.16260 3.26459 -185.18452 1206.12046
60.0000 -199.93867 -188.14200 11.79667 3.13568 -187.65699 1127.63567
65.0000 -199.71657 -188.55308 11.16349 3.09086 -188.51665 1121.58591
70.0000 -199.75872 -187.31118 12.44754 3.11841 -187.98830 1099.35845
75.0000 -200.32329 -185.99897 14.32432 3.17382 -186.92545 1152.54172
80.0000 -198.15618 -186.00522 12.15095 3.21679 -186.10139 1170.22963
85.0000 -199.82540 -185.94000 13.88540 3.12780 -187.80816 1103.20148
90.0000 -199.37080 -186.02012 13.35068 3.27544 -184.97636 1235.87721
95.0000 -197.46573 -185.69332 11.77241 3.25688 -185.33239 1200.36415
100.0000 -200.75869 -187.74532 13.01337 3.20649 -186.29887 1191.16622
105.0000 -200.36516 -187.05630 13.30886 3.18909 -186.63265 1218.00539
110.0000 -200.14511 -187.38514 12.75997 3.17328 -186.93592 1161.59581
115.0000 -199.60819 -187.59087 12.01732 3.15772 -187.23437 1142.30430
120.0000 -200.60076 -186.49582 14.10495 3.17582 -186.88712 1190.36984
125.0000 -198.51011 -186.02923 12.48088 3.26938 -185.09267 1207.54006
130.0000 -199.63233 -186.58750 13.04483 3.21035 -186.22482 1136.26142
135.0000 -199.56744 -186.27636 13.29109 3.19894 -186.44379 1150.06933
140.0000 -199.70521 -187.03043 12.67478 3.15806 -187.22778 1152.88306
145.0000 -202.07361 -190.52270 11.55091 3.11525 -188.04883 1131.81726
150.0000 -202.12961 -188.44918 13.68044 3.10971 -188.15512 1127.27402
155.0000 -201.77032 -189.92767 11.84266 3.07721 -188.77848 1129.78504
160.0000 -199.61581 -186.70503 12.91079 3.12085 -187.94159 1117.00894
165.0000 -199.79881 -188.11650 11.68231 3.11515 -188.05086 1117.62638
170.0000 -200.03166 -188.68971 11.34195 3.14653 -187.44889 1153.82499
175.0000 -200.50817 -188.44280 12.06537 3.03706 -189.54859 1065.60868
180.0000 -201.10151 -188.57829 12.52322 3.02169 -189.84338 1071.82913
185.0000 -201.92991 -190.89915 11.03076 2.98314 -190.58290 1052.71697
190.0000 -198.43752 -187.36822 11.06930 3.10935 -188.16216 1097.86493
195.0000 -200.95998 -189.02392 11.93606 3.16830 -187.03140 1161.71553
200.0000 -199.68636 -188.60752 11.07884 2.99145 -190.42341 1059.67436
205.0000 -199.62483 -186.00427 13.62056 3.10772 -188.19327 1086.85767
210.0000 -196.85888 -185.19405 11.66483 3.18861 -186.64183 1135.83226
215.0000 -197.87202 -186.17789 11.69412 3.23165 -185.81632 1182.66066
220.0000 -198.66195 -186.65821 12.00374 3.20054 -186.41311 1179.87740
225.0000 -198.99299 -185.16904 13.82395 3.22431 -185.95722 1196.38247
230.0000 -200.08473 -186.55852 13.52621 3.17132 -186.97357 1155.68826
235.0000 -199.78632 -186.50234 13.28398 3.17263 -186.94836 1146.17752
240.0000 -199.63035 -186.63725 12.99310 3.19205 -186.57593 1181.62838
245.0000 -198.48361 -185.42191 13.06170 3.19748 -186.47182 1197.80931
250.0000 -200.31243 -185.01342 15.29900 3.19199 -186.57695 1192.95757
FREEZING PROCESS: loop number 2 T-loop= 1088.0000000000000
main_MD> interactions number 2 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.88974 -3.55704 -0.91289
force_rgl> df(natom) -0.29627 -1.59349 -1.14718
255.0000 -200.71709 -189.21728 11.49981 3.08995 -188.53419 1114.10102
260.0000 -199.79071 -188.32779 11.46292 3.05523 -189.20018 1103.65223
265.0000 -198.24703 -186.56824 11.67879 3.08868 -188.55851 1094.75942
270.0000 -198.78646 -186.95779 11.82867 3.16280 -187.13683 1151.18020
275.0000 -199.36165 -185.58442 13.77723 3.16150 -187.16192 1109.75163
280.0000 -200.06706 -186.84444 13.22262 3.23723 -185.70922 1208.62377
285.0000 -199.88224 -189.42523 10.45701 3.10893 -188.17019 1123.51146
290.0000 -199.34491 -189.19148 10.15343 3.05496 -189.20525 1083.17218
295.0000 -199.86431 -187.23441 12.62991 3.05492 -189.20613 1087.31623
300.0000 -200.47022 -189.40161 11.06861 3.14049 -187.56482 1156.62229
305.0000 -202.00150 -189.58046 12.42104 3.09425 -188.45176 1092.64585
310.0000 -199.76017 -188.45753 11.30264 3.10474 -188.25047 1111.12894
315.0000 -199.77228 -187.70562 12.06666 3.03950 -189.50174 1032.17857
320.0000 -201.50513 -189.74351 11.76162 3.03561 -189.57646 1075.64029
325.0000 -200.11323 -189.25839 10.85484 3.04043 -189.48401 1086.73828
330.0000 -198.57218 -186.32515 12.24703 3.08942 -188.54435 1100.10419
335.0000 -197.23780 -185.13124 12.10657 3.24850 -185.49314 1223.89014
340.0000 -199.37795 -188.77618 10.60176 3.27189 -185.04459 1197.44549
345.0000 -201.67093 -190.50869 11.16224 3.02069 -189.86262 1060.84873
350.0000 -198.72750 -186.05173 12.67577 3.07539 -188.81352 1079.20299
355.0000 -199.57346 -187.22248 12.35098 3.18610 -186.69005 1172.24170
360.0000 -199.46634 -187.75039 11.71595 3.11692 -188.01686 1126.81165
365.0000 -199.41666 -187.67079 11.74588 3.12272 -187.90570 1093.45144
370.0000 -201.36618 -189.49441 11.87177 3.09018 -188.52971 1088.18987
375.0000 -202.32252 -190.19363 12.12889 3.05087 -189.28367 1084.25516
380.0000 -201.64002 -190.14515 11.49487 3.05610 -189.18336 1091.10753
385.0000 -199.75465 -188.13233 11.62232 3.04701 -189.35775 1082.81472
390.0000 -202.69594 -191.94459 10.75135 3.00202 -190.22073 1068.06916
395.0000 -201.28414 -190.75122 10.53292 2.93312 -191.54227 1021.12325
400.0000 -200.28565 -189.05828 11.22737 3.03737 -189.54276 1071.77075
405.0000 -200.47152 -189.18777 11.28375 3.07501 -188.82071 1104.68010
410.0000 -198.23851 -186.77498 11.46354 3.10664 -188.21397 1121.12016
415.0000 -199.87734 -187.05145 12.82589 3.19861 -186.44999 1159.28168
420.0000 -201.00406 -189.15294 11.85112 3.07366 -188.84660 1060.07485
425.0000 -198.81213 -186.69354 12.11859 3.11662 -188.02256 1130.71891
430.0000 -198.49932 -184.95871 13.54061 3.23229 -185.80414 1198.45308
435.0000 -201.13510 -189.85623 11.27887 3.12013 -187.95527 1123.09994
440.0000 -199.04203 -187.40071 11.64131 3.06995 -188.91773 1091.96612
445.0000 -202.61947 -191.48121 11.13827 3.12291 -187.90192 1099.01736
450.0000 -202.65618 -191.83361 10.82257 2.92409 -191.71547 1010.58735
455.0000 -201.69547 -192.11229 9.58318 2.96808 -190.87168 1047.07186
460.0000 -200.30924 -189.57045 10.73879 2.97522 -190.73467 1013.94882
465.0000 -201.14350 -189.10873 12.03477 3.05982 -189.11211 1085.40187
470.0000 -200.47307 -188.41543 12.05764 3.10663 -188.21424 1125.79364
475.0000 -200.09004 -188.56132 11.52872 3.08195 -188.68753 1119.21276
480.0000 -200.80668 -188.42028 12.38640 3.03576 -189.57353 1108.82480
485.0000 -200.47363 -186.90227 13.57137 3.16357 -187.12222 1174.61504
490.0000 -200.95656 -189.19085 11.76571 3.12087 -187.94118 1115.88826
495.0000 -201.15067 -189.71366 11.43701 3.10009 -188.33972 1112.45582
500.0000 -198.58650 -185.53728 13.04922 3.14932 -187.39547 1155.50206
FREEZING PROCESS: loop number 3 T-loop= 1063.0000000000000
main_MD> interactions number 3 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.77122 2.12892 -4.22556
force_rgl> df(natom) 1.47801 -0.34571 1.14759
505.0000 -200.06395 -188.27681 11.78714 3.26096 -185.25420 1197.88235
510.0000 -202.60858 -191.62693 10.98165 3.00739 -190.11769 1011.87679
515.0000 -201.02871 -190.52057 10.50814 2.96663 -190.89941 1006.82185
520.0000 -203.14542 -192.24076 10.90467 2.88551 -192.45531 967.06934
525.0000 -203.08169 -191.66028 11.42141 2.88588 -192.44819 997.98532
530.0000 -202.26907 -191.33959 10.92948 2.93878 -191.43362 994.36221
535.0000 -201.54284 -190.88579 10.65705 2.97620 -190.71586 1024.12650
540.0000 -200.95993 -190.34321 10.61671 3.04107 -189.47168 1059.32137
545.0000 -199.35178 -186.65391 12.69786 3.12515 -187.85900 1133.85673
550.0000 -200.36046 -187.52135 12.83911 3.13284 -187.71153 1130.85328
555.0000 -202.89640 -191.10099 11.79541 3.09267 -188.48193 1127.88627
560.0000 -202.11114 -189.76758 12.34356 2.95825 -191.06014 1038.54933
565.0000 -200.23229 -189.29155 10.94074 3.06911 -188.93395 1085.58990
570.0000 -201.82047 -190.71053 11.10994 2.99537 -190.34821 1022.00693
575.0000 -202.65692 -190.19083 12.46609 2.97310 -190.77542 1004.07767
580.0000 -201.53254 -189.63024 11.90230 2.99809 -190.29616 1050.62625
585.0000 -200.31510 -188.54131 11.77380 3.05127 -189.27608 1065.84874
590.0000 -200.77407 -188.86289 11.91118 3.00405 -190.18172 1045.19733
595.0000 -200.39757 -189.09138 11.30619 3.07965 -188.73165 1095.90792
600.0000 -199.93234 -187.34671 12.58563 3.16325 -187.12832 1179.68666
605.0000 -201.28452 -189.78764 11.49688 3.10963 -188.15681 1097.61510
610.0000 -199.54576 -186.38382 13.16194 3.08238 -188.67936 1108.50828
615.0000 -198.61680 -186.32164 12.29517 3.14803 -187.42024 1148.22169
620.0000 -199.73767 -187.11460 12.62307 3.17437 -186.91499 1167.98800
625.0000 -198.70884 -187.20797 11.50087 3.11079 -188.13437 1112.49108
630.0000 -201.16778 -189.04522 12.12256 3.10069 -188.32827 1099.37389
635.0000 -200.08829 -189.34034 10.74795 3.10670 -188.21298 1103.25746
640.0000 -201.60967 -190.10797 11.50170 3.06294 -189.05231 1085.10680
645.0000 -203.69290 -192.35916 11.33374 2.96618 -190.90810 1018.96898
650.0000 -201.81073 -190.70494 11.10579 2.92268 -191.74242 1031.89296
655.0000 -201.25787 -189.93516 11.32271 2.98949 -190.46106 1038.79893
660.0000 -200.41649 -188.27402 12.14246 3.00856 -190.09532 1047.50292
665.0000 -199.06737 -187.99266 11.07471 3.11460 -188.06134 1089.92039
670.0000 -197.97516 -185.66624 12.30892 3.16384 -187.11686 1141.60167
675.0000 -201.71435 -190.61181 11.10254 3.15206 -187.34297 1143.31637
680.0000 -201.25578 -189.12174 12.13403 3.05676 -189.17077 1063.93755
685.0000 -201.05043 -189.25607 11.79436 3.10036 -188.33453 1104.58238
690.0000 -202.06826 -192.34373 9.72453 2.95171 -191.18565 1012.48334
695.0000 -202.64481 -192.19002 10.45480 2.90102 -192.15784 960.89474
700.0000 -200.49882 -189.69883 10.79999 2.93604 -191.48630 996.83897
705.0000 -200.47594 -189.16663 11.30931 3.04239 -189.44633 1066.45181
710.0000 -203.42636 -191.30065 12.12571 3.02196 -189.83821 1070.98117
715.0000 -204.34634 -193.20593 11.14041 2.84613 -193.21060 947.05064
720.0000 -202.91262 -191.93040 10.98222 2.85203 -193.09756 944.56276
725.0000 -200.47877 -190.71499 9.76378 2.98678 -190.51296 1076.21836
730.0000 -197.94734 -187.35284 10.59450 3.06001 -189.10844 1080.08313
735.0000 -200.69492 -187.77222 12.92270 3.13155 -187.73633 1095.50576
740.0000 -201.26657 -190.49436 10.77221 3.04879 -189.32365 1071.87013
745.0000 -200.62081 -190.13470 10.48611 2.97269 -190.78326 1022.31990
750.0000 -199.91778 -189.38142 10.53636 3.09789 -188.38192 1103.01759
FREEZING PROCESS: loop number 4 T-loop= 1038.0000000000000
main_MD> interactions number 4 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.37977 -1.13076 -0.02676
force_rgl> df(natom) 3.48351 0.02936 -1.21530
755.0000 -202.55402 -191.68103 10.87298 2.97694 -190.70179 1012.49518
760.0000 -201.75904 -192.15443 9.60462 2.90278 -192.12404 974.31415
765.0000 -202.91502 -189.80107 13.11395 3.02187 -189.83991 1064.23501
770.0000 -202.10480 -189.29639 12.80841 2.98204 -190.60383 1012.64742
775.0000 -203.39052 -189.56500 13.82552 3.01490 -189.97368 1060.81977
780.0000 -201.21502 -192.61997 8.59505 2.95374 -191.14664 1024.65377
785.0000 -202.14018 -191.49033 10.64984 2.94849 -191.24731 1025.53843
790.0000 -202.35764 -190.88637 11.47127 2.98509 -190.54543 1018.00994
795.0000 -202.74808 -190.92948 11.81860 2.98664 -190.51559 1023.51712
800.0000 -200.16661 -189.21346 10.95315 3.03010 -189.68213 1062.63958
805.0000 -200.76500 -189.75790 11.00710 3.02298 -189.81874 1039.64114
810.0000 -201.86734 -189.49629 12.37105 3.01226 -190.02420 1040.27014
815.0000 -201.88073 -191.69499 10.18575 2.92241 -191.74760 998.91294
820.0000 -203.17383 -191.96799 11.20584 2.93940 -191.42182 1011.78845
825.0000 -200.77976 -190.88730 9.89246 2.91669 -191.85726 991.11522
830.0000 -202.44070 -192.16967 10.27103 2.96177 -190.99275 1025.50732
835.0000 -203.37226 -193.21668 10.15557 2.83584 -193.40814 950.39783
840.0000 -203.80402 -192.21092 11.59310 2.88539 -192.45764 975.16151
845.0000 -202.71122 -191.15144 11.55978 2.90211 -192.13708 980.43048
850.0000 -202.76604 -191.79764 10.96841 2.91977 -191.79818 973.64806
855.0000 -200.37996 -188.12286 12.25710 2.98201 -190.60458 1032.14481
860.0000 -201.37494 -190.90410 10.47085 3.01942 -189.88703 1063.36021
865.0000 -200.08791 -189.30489 10.78302 3.02652 -189.75071 1042.51729
870.0000 -202.39331 -191.99195 10.40136 2.96522 -190.92661 1024.84080
875.0000 -199.36599 -188.29477 11.07122 2.99565 -190.34294 1064.07932
880.0000 -198.79662 -188.31500 10.48162 3.12159 -187.92728 1120.25132
885.0000 -201.48195 -188.07823 13.40371 3.11863 -187.98403 1122.04685
890.0000 -202.27326 -190.88447 11.38878 3.01424 -189.98623 1065.44857
895.0000 -204.29344 -191.66649 12.62695 2.95154 -191.18889 1028.75650
900.0000 -203.39402 -192.99092 10.40310 2.90719 -192.03949 1009.40881
905.0000 -202.08174 -191.34386 10.73788 2.91932 -191.80681 982.11971
910.0000 -204.17259 -191.96868 12.20391 2.89625 -192.24935 1001.59990
915.0000 -203.07645 -193.00700 10.06945 2.87569 -192.64366 974.43890
920.0000 -203.42460 -191.21080 12.21380 2.87381 -192.67976 972.90374
925.0000 -201.59538 -190.39067 11.20471 2.98439 -190.55880 1065.44623
930.0000 -201.02533 -191.37522 9.65011 2.93988 -191.41249 1014.08198
935.0000 -200.48422 -188.36473 12.11950 3.00444 -190.17437 1047.30703
940.0000 -199.06458 -187.23447 11.83011 3.18883 -186.63764 1179.97555
945.0000 -199.96631 -189.84905 10.11726 3.07019 -188.91320 1080.02730
950.0000 -202.39612 -191.50421 10.89191 2.95377 -191.14619 1015.11831
955.0000 -199.96754 -188.89454 11.07300 2.96303 -190.96856 1048.42767
960.0000 -201.50109 -189.81695 11.68414 3.06936 -188.92908 1065.40526
965.0000 -201.80988 -192.79399 9.01589 2.93541 -191.49831 957.15002
970.0000 -203.30541 -193.87357 9.43183 2.84131 -193.30309 945.74352
975.0000 -202.54444 -191.42839 11.11605 2.87150 -192.72414 979.86468
980.0000 -201.60548 -190.27469 11.33079 2.95593 -191.10476 1044.10029
985.0000 -201.12008 -190.62161 10.49847 2.97751 -190.69089 1039.62703
990.0000 -200.66164 -188.23700 12.42464 3.09360 -188.46423 1106.23533
995.0000 -200.00810 -187.86658 12.14153 3.08431 -188.64239 1100.99050
1000.0000 -200.88073 -188.88132 11.99940 3.05260 -189.25064 1067.37588
FREEZING PROCESS: loop number 5 T-loop= 1013.0000000000000
main_MD> interactions number 5 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.27346 -0.46852 0.93207
force_rgl> df(natom) -4.68176 -6.02906 1.09665
1005.0000 -202.48300 -191.33736 11.14564 3.07446 -188.83134 1068.87858
1010.0000 -201.38843 -191.78629 9.60214 3.01607 -189.95124 1058.46704
1015.0000 -202.67096 -190.66745 12.00352 2.96078 -191.01168 1044.82668
1020.0000 -200.71010 -189.16187 11.54822 3.09365 -188.46313 1117.11955
1025.0000 -203.28600 -191.31938 11.96662 3.02822 -189.71812 1074.55611
1030.0000 -201.46414 -191.27239 10.19175 2.95154 -191.18882 1046.46784
1035.0000 -202.93864 -190.64384 12.29480 2.97216 -190.79349 1004.80166
1040.0000 -203.16106 -192.91969 10.24137 2.92914 -191.61860 994.91754
1045.0000 -202.61797 -192.25673 10.36123 2.88910 -192.38650 982.80327
1050.0000 -203.72796 -192.28632 11.44164 2.92040 -191.78619 1017.24088
1055.0000 -203.21908 -191.98283 11.23625 2.90193 -192.14041 990.88891
1060.0000 -202.28300 -190.70576 11.57724 2.98773 -190.49474 1035.67462
1065.0000 -202.73273 -191.44027 11.29246 2.93791 -191.45033 990.28398
1070.0000 -202.68527 -190.82145 11.86383 2.92271 -191.74190 991.82888
1075.0000 -201.19741 -189.40424 11.79317 3.02825 -189.71766 1080.82114
1080.0000 -199.90139 -190.12617 9.77522 3.01752 -189.92349 1060.18772
1085.0000 -203.39463 -192.34799 11.04664 2.94470 -191.32019 996.80645
1090.0000 -204.12387 -194.07669 10.04718 2.85037 -193.12936 945.19978
1095.0000 -202.66721 -193.38762 9.27959 2.83625 -193.40020 926.48143
1100.0000 -202.57219 -192.74861 9.82358 2.87835 -192.59272 949.42235
1105.0000 -202.48933 -191.92641 10.56292 2.89721 -192.23090 969.49293
1110.0000 -203.50641 -191.50242 12.00398 2.96637 -190.90450 1003.19559
1115.0000 -202.90166 -191.68149 11.22018 2.96616 -190.90845 1023.79976
1120.0000 -202.21198 -192.30007 9.91191 2.84707 -193.19258 939.88566
1125.0000 -201.37769 -188.70308 12.67461 3.01302 -190.00963 1059.82122
1130.0000 -200.79177 -187.87527 12.91649 3.10291 -188.28559 1115.97737
1135.0000 -202.42436 -192.81217 9.61219 2.96984 -190.83787 1050.06754
1140.0000 -203.63189 -192.13290 11.49899 2.95802 -191.06463 1020.71365
1145.0000 -202.67585 -192.01634 10.65951 2.93356 -191.53383 1018.08884
1150.0000 -201.60874 -191.01602 10.59273 2.94111 -191.38887 984.15560
1155.0000 -200.02290 -188.64999 11.37291 3.00850 -190.09636 1047.72190
1160.0000 -201.04533 -190.32565 10.71968 3.03793 -189.53197 1057.45376
1165.0000 -200.77551 -190.17717 10.59834 2.99836 -190.29096 1027.31831
1170.0000 -202.32934 -190.94407 11.38527 3.02514 -189.77728 1084.64984
1175.0000 -203.57748 -192.09788 11.47960 2.89965 -192.18416 977.50487
1180.0000 -202.33712 -192.25597 10.08115 2.95475 -191.12732 1007.68578
1185.0000 -201.52578 -192.04628 9.47949 2.95298 -191.16138 997.40654
1190.0000 -199.28790 -189.27144 10.01646 2.99710 -190.31513 1044.40135
1195.0000 -201.99908 -191.33407 10.66500 3.00662 -190.13244 1032.82333
1200.0000 -201.80474 -190.57275 11.23199 2.98045 -190.63446 1058.27176
1205.0000 -201.87882 -189.70017 12.17865 2.98345 -190.57679 1043.94780
1210.0000 -200.36948 -190.26415 10.10532 2.95360 -191.14945 988.29550
1215.0000 -202.49423 -191.96662 10.52760 2.95284 -191.16399 1013.92492
1220.0000 -203.14103 -191.70236 11.43867 2.93883 -191.43268 1014.13446
1225.0000 -202.22925 -191.23369 10.99555 2.92666 -191.66613 1009.74570
1230.0000 -203.31632 -191.47177 11.84456 2.92317 -191.73313 992.31661
1235.0000 -203.17318 -192.02950 11.14368 2.96341 -190.96114 1025.96287
1240.0000 -201.36239 -190.13706 11.22533 2.97758 -190.68944 1048.32287
1245.0000 -201.08007 -190.91332 10.16675 3.01630 -189.94681 1032.58680
1250.0000 -200.50498 -191.01048 9.49450 2.90849 -192.01466 1009.44955
FREEZING PROCESS: loop number 6 T-loop= 988.00000000000000
main_MD> interactions number 6 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25752 -2.01291 9.72873
force_rgl> df(natom) 5.05623 -2.40059 1.70014
1255.0000 -205.41471 -194.26470 11.15001 2.85319 -193.07536 934.51799
1260.0000 -203.47126 -191.70071 11.77054 2.85644 -193.01301 999.48356
1265.0000 -203.41811 -192.63553 10.78258 2.94509 -191.31268 995.81488
1270.0000 -201.29753 -191.06664 10.23089 2.95505 -191.12156 1028.18016
1275.0000 -202.12847 -191.97903 10.14944 2.87804 -192.59867 968.41286
1280.0000 -202.85929 -191.70052 11.15877 2.97611 -190.71772 1036.40500
1285.0000 -204.03886 -193.66884 10.37002 2.88986 -192.37186 978.66214
1290.0000 -201.33428 -190.16543 11.16885 2.91671 -191.85702 990.55346
1295.0000 -200.64390 -189.60561 11.03829 3.09650 -188.40858 1113.26276
1300.0000 -202.59464 -192.03036 10.56429 2.96840 -190.86560 1008.58683
1305.0000 -202.83607 -191.35847 11.47760 2.89444 -192.28413 965.54202
1310.0000 -200.43110 -187.83323 12.59787 3.03841 -189.52271 1062.50118
1315.0000 -201.60207 -189.45983 12.14224 3.07476 -188.82560 1082.70393
1320.0000 -203.59643 -192.11659 11.47984 2.96047 -191.01755 1005.40720
1325.0000 -199.83161 -189.68578 10.14583 2.98118 -190.62031 1042.02472
1330.0000 -200.92855 -191.34837 9.58018 3.01389 -189.99298 1040.73245
1335.0000 -201.69098 -189.44009 12.25089 2.98542 -190.53899 1011.69095
1340.0000 -202.42256 -192.90283 9.51973 2.94855 -191.24622 1017.09804
1345.0000 -202.50384 -191.24414 11.25970 2.88590 -192.44782 969.51165
1350.0000 -201.70502 -190.81325 10.89176 2.94003 -191.40971 1030.16146
1355.0000 -204.44343 -192.92650 11.51693 2.89276 -192.31623 964.21773
1360.0000 -203.33515 -195.24263 8.09252 2.78260 -194.42926 920.63428
1365.0000 -203.87923 -194.63641 9.24282 2.74178 -195.21223 889.80628
1370.0000 -203.83737 -192.89414 10.94324 2.81314 -193.84350 928.60111
1375.0000 -202.40963 -190.79786 11.61177 2.90687 -192.04565 970.99306
1380.0000 -201.37651 -189.90964 11.46688 2.95829 -191.05947 1014.76224
1385.0000 -201.60115 -191.21149 10.38966 2.93151 -191.57308 998.36509
1390.0000 -204.09758 -194.72458 9.37300 2.86024 -192.94009 962.28551
1395.0000 -203.62336 -192.99780 10.62557 2.83189 -193.48385 950.49741
1400.0000 -202.09095 -191.18625 10.90471 2.92215 -191.75265 1013.48304
1405.0000 -203.14613 -191.84818 11.29795 2.94523 -191.30993 994.57407
1410.0000 -203.27727 -192.78042 10.49685 2.89213 -192.32847 973.71633
1415.0000 -204.88871 -193.33391 11.55480 2.85198 -193.09847 960.96919
1420.0000 -202.38595 -192.44690 9.93905 2.86368 -192.87417 921.03600
1425.0000 -203.06966 -190.65600 12.41366 2.96551 -190.92105 1016.25061
1430.0000 -202.46623 -191.79873 10.66750 2.96797 -190.87370 1031.64716
1435.0000 -199.48013 -190.31121 9.16892 2.97585 -190.72258 1015.54841
1440.0000 -201.80223 -188.85318 12.94904 2.98447 -190.55740 1021.21076
1445.0000 -200.72879 -190.55292 10.17587 3.01039 -190.06008 1036.79513
1450.0000 -202.59047 -191.63240 10.95807 2.89348 -192.30260 996.33725
1455.0000 -202.02325 -191.15924 10.86401 2.93081 -191.58659 988.74844
1460.0000 -203.08051 -193.32353 9.75698 2.87775 -192.60429 984.31304
1465.0000 -203.25633 -191.54655 11.70978 2.86773 -192.79632 945.46143
1470.0000 -205.00771 -195.18657 9.82114 2.85869 -192.96984 961.52472
1475.0000 -202.33188 -193.63135 8.70053 2.74171 -195.21350 890.35528
1480.0000 -204.49171 -193.84047 10.65125 2.85047 -193.12748 971.17378
1485.0000 -205.74241 -195.25198 10.49043 2.83442 -193.43522 957.20909
1490.0000 -204.54180 -194.37274 10.16905 2.71629 -195.70111 839.70914
1495.0000 -202.94087 -193.10541 9.83545 2.80544 -193.99108 919.57265
1500.0000 -204.96104 -194.77465 10.18639 2.80011 -194.09340 939.85060
FREEZING PROCESS: loop number 7 T-loop= 963.00000000000000
main_MD> interactions number 7 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.03938 1.72219 -1.91430
force_rgl> df(natom) -2.57564 1.54350 -3.29029
1505.0000 -204.77034 -195.27088 9.49946 2.77421 -194.59010 913.11194
1510.0000 -205.92592 -193.69243 12.23350 2.80242 -194.04915 947.36332
1515.0000 -205.47122 -194.46154 11.00968 2.81103 -193.88388 986.05340
1520.0000 -204.55881 -195.52399 9.03482 2.77484 -194.57803 915.55286
1525.0000 -204.42605 -194.92308 9.50297 2.74771 -195.09833 881.77160
1530.0000 -202.08095 -190.31222 11.76872 2.90956 -191.99402 992.27172
1535.0000 -201.67892 -190.41263 11.26630 3.00594 -190.14559 1062.78714
1540.0000 -201.39686 -189.80444 11.59241 2.97441 -190.75022 1015.87983
1545.0000 -202.51187 -191.07834 11.43353 2.96800 -190.87324 1049.26327
1550.0000 -201.36520 -189.35590 12.00929 2.97516 -190.73588 1056.86075
1555.0000 -202.32445 -190.56571 11.75874 2.98702 -190.50837 1044.81368
1560.0000 -202.04814 -190.83292 11.21522 2.97475 -190.74369 1025.25495
1565.0000 -201.87223 -191.89168 9.98055 2.94360 -191.34119 1008.84029
1570.0000 -203.16993 -193.54848 9.62145 2.92569 -191.68464 1002.47090
1575.0000 -203.74188 -193.86629 9.87560 2.78890 -194.30834 888.56148
1580.0000 -205.55391 -195.17243 10.38148 2.79265 -194.23653 933.48974
1585.0000 -202.63166 -192.03209 10.59956 2.80783 -193.94527 908.38944
1590.0000 -204.26536 -193.05717 11.20819 2.87686 -192.62127 966.61639
1595.0000 -203.53974 -192.52160 11.01814 2.86529 -192.84322 991.33076
1600.0000 -203.63583 -190.29788 13.33795 2.89323 -192.30732 974.18932
1605.0000 -203.14874 -193.06408 10.08466 2.94811 -191.25473 1005.02931
1610.0000 -201.65111 -191.08438 10.56673 2.96318 -190.96565 984.85321
1615.0000 -201.42050 -190.58329 10.83721 2.96516 -190.92764 995.87152
1620.0000 -203.44901 -192.71402 10.73500 2.93055 -191.59155 986.55223
1625.0000 -202.93753 -193.08845 9.84908 2.86296 -192.88797 971.19105
1630.0000 -204.60463 -194.89302 9.71162 2.77619 -194.55207 922.86359
1635.0000 -205.31417 -194.06840 11.24577 2.78514 -194.38055 902.97542
1640.0000 -203.51012 -194.43969 9.07043 2.80739 -193.95370 910.47991
1645.0000 -203.31474 -193.80512 9.50963 2.82478 -193.62025 927.73024
1650.0000 -205.70970 -195.60011 10.10959 2.73585 -195.32587 884.73664
1655.0000 -204.38158 -193.05830 11.32328 2.83175 -193.48659 964.98013
1660.0000 -201.92484 -192.54080 9.38404 2.86310 -192.88529 943.58943
1665.0000 -200.95775 -191.32487 9.63288 2.91457 -191.89801 976.33871
1670.0000 -203.60953 -191.94837 11.66116 2.95392 -191.14325 993.33832
1675.0000 -200.84568 -190.37274 10.47294 2.92169 -191.76137 976.36676
1680.0000 -201.49552 -191.12007 10.37545 2.96468 -190.93687 1011.28820
1685.0000 -203.25943 -192.01362 11.24581 2.90170 -192.14486 995.82544
1690.0000 -202.71296 -191.54137 11.17159 2.93177 -191.56806 1038.28886
1695.0000 -202.88068 -191.68778 11.19290 2.89776 -192.22040 1017.63931
1700.0000 -201.96636 -192.01591 9.95045 2.88608 -192.44442 970.77809
1705.0000 -201.49124 -191.02549 10.46575 2.95377 -191.14620 1007.99842
1710.0000 -205.02506 -193.49223 11.53283 2.87797 -192.60008 957.40771
1715.0000 -202.78450 -192.54244 10.24206 2.85905 -192.96288 972.10657
1720.0000 -203.72075 -192.04376 11.67698 2.90557 -192.07053 994.17911
1725.0000 -202.14533 -190.08072 12.06461 2.94691 -191.27769 1022.32912
1730.0000 -203.47970 -192.27157 11.20813 2.95783 -191.06821 1027.79567
1735.0000 -203.37965 -192.98910 10.39055 2.84736 -193.18701 927.04542
1740.0000 -203.30156 -193.77397 9.52760 2.84338 -193.26338 925.37820
1745.0000 -203.11828 -192.43520 10.68307 2.86640 -192.82183 981.10921
1750.0000 -201.76444 -191.85691 9.90754 2.95882 -191.04927 1019.21471
FREEZING PROCESS: loop number 8 T-loop= 938.00000000000000
main_MD> interactions number 8 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56596 -1.92942 0.02470
force_rgl> df(natom) -1.76695 -0.84094 2.47816
1755.0000 -202.47772 -190.81311 11.66461 2.93961 -191.41775 1007.21678
1760.0000 -203.31221 -193.10818 10.20403 2.92968 -191.60820 1006.68120
1765.0000 -203.56447 -192.80545 10.75902 2.85161 -193.10565 957.98252
1770.0000 -201.95341 -191.30122 10.65219 2.84444 -193.24318 952.70256
1775.0000 -200.91538 -189.09992 11.81546 2.95689 -191.08635 1027.67706
1780.0000 -201.83145 -192.77995 9.05150 2.95078 -191.20341 1002.24882
1785.0000 -203.66758 -193.13233 10.53524 2.87729 -192.61296 972.68367
1790.0000 -202.23169 -192.66699 9.56470 2.88488 -192.46750 970.48788
1795.0000 -202.22402 -190.92258 11.30144 2.89767 -192.22218 1007.89750
1800.0000 -204.26249 -193.98619 10.27630 2.90486 -192.08415 1015.84527
1805.0000 -205.00631 -195.88230 9.12401 2.78918 -194.30303 917.37494
1810.0000 -204.53379 -194.65990 9.87389 2.71942 -195.64097 866.95667
1815.0000 -203.36187 -192.73622 10.62565 2.88164 -192.52960 957.16400
1820.0000 -204.17724 -193.64336 10.53388 2.87684 -192.62174 962.15757
1825.0000 -202.51116 -192.46138 10.04978 2.81393 -193.82831 927.94806
1830.0000 -203.99982 -194.11987 9.87995 2.86759 -192.79908 944.19194
1835.0000 -206.91162 -197.72364 9.18798 2.68590 -196.28402 858.15013
1840.0000 -205.47929 -195.81170 9.66759 2.70254 -195.96471 874.26131
1845.0000 -204.14859 -196.43200 7.71659 2.70679 -195.88327 863.02493
1850.0000 -204.99279 -196.72814 8.26465 2.72085 -195.61354 850.15985
1855.0000 -205.59202 -195.22103 10.37099 2.69185 -196.16983 842.53225
1860.0000 -204.88669 -195.10761 9.77908 2.77185 -194.63530 907.88520
1865.0000 -206.27127 -196.96873 9.30254 2.66953 -196.59785 860.79258
1870.0000 -204.16827 -193.43186 10.73641 2.74817 -195.08950 910.27416
1875.0000 -204.60508 -194.36720 10.23788 2.80557 -193.98868 933.80664
1880.0000 -203.34511 -193.49124 9.85388 2.73871 -195.27096 896.26193
1885.0000 -204.18209 -193.96041 10.22168 2.81631 -193.78261 928.39317
1890.0000 -204.00975 -194.75883 9.25092 2.79716 -194.15000 910.31124
1895.0000 -203.04733 -194.51604 8.53130 2.80405 -194.01774 927.42040
1900.0000 -204.84365 -195.68418 9.15947 2.78609 -194.36221 898.63565
1905.0000 -205.64692 -195.73533 9.91159 2.74378 -195.17379 897.43494
1910.0000 -205.63590 -197.36713 8.26878 2.69875 -196.03738 864.00463
1915.0000 -203.25827 -194.09923 9.15904 2.69476 -196.11401 864.56594
1920.0000 -204.74525 -196.62824 8.11701 2.74482 -195.15389 883.14110
1925.0000 -203.43567 -193.47982 9.95584 2.75110 -195.03339 881.53755
1930.0000 -203.15998 -193.40827 9.75172 2.85034 -193.12989 963.40040
1935.0000 -202.05068 -191.72848 10.32221 2.89437 -192.28535 943.31480
1940.0000 -201.70813 -191.26996 10.43818 2.92171 -191.76108 981.71485
1945.0000 -203.41773 -193.64955 9.76818 2.85543 -193.03237 927.78128
1950.0000 -205.41472 -194.24865 11.16607 2.80235 -194.05031 906.59845
1955.0000 -204.27215 -194.69786 9.57429 2.80490 -194.00149 939.06442
1960.0000 -204.38909 -194.17339 10.21570 2.77531 -194.56911 913.75918
1965.0000 -201.70129 -191.92196 9.77934 2.85012 -193.13422 948.50342
1970.0000 -202.51497 -190.65034 11.86463 2.92319 -191.73268 986.05177
1975.0000 -203.46132 -191.92728 11.53404 2.95138 -191.19205 997.63460
1980.0000 -203.88468 -194.12829 9.75640 2.83517 -193.42100 932.79459
1985.0000 -203.19507 -194.04324 9.15183 2.84102 -193.30874 973.57998
1990.0000 -204.35573 -193.01352 11.34222 2.82892 -193.54076 930.23963
1995.0000 -204.15928 -193.76404 10.39524 2.85708 -193.00061 947.98029
2000.0000 -202.03689 -191.44628 10.59062 2.85339 -193.07137 968.73497
FREEZING PROCESS: loop number 9 T-loop= 913.00000000000000
main_MD> interactions number 9 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.83616 -0.48272 2.06624
force_rgl> df(natom) -0.11425 1.07620 0.43023
2005.0000 -203.35914 -193.95303 9.40611 2.85100 -193.11726 948.29906
2010.0000 -203.58379 -193.99347 9.59032 2.80103 -194.07579 906.08794
2015.0000 -205.03781 -195.32333 9.71448 2.78887 -194.30901 911.85046
2020.0000 -202.57389 -193.47536 9.09853 2.81908 -193.72949 945.18991
2025.0000 -203.29808 -193.31915 9.97893 2.81832 -193.74407 949.17116
2030.0000 -203.83517 -194.69143 9.14375 2.77106 -194.65055 917.69588
2035.0000 -204.28300 -195.43940 8.84360 2.77495 -194.57597 916.77291
2040.0000 -202.63229 -193.53498 9.09731 2.75323 -194.99251 888.92190
2045.0000 -202.99675 -192.79874 10.19802 2.85551 -193.03087 970.32168
2050.0000 -203.83555 -193.35740 10.47815 2.86082 -192.92884 963.88690
2055.0000 -204.97962 -194.67940 10.30022 2.84398 -193.25187 939.73317
2060.0000 -203.46523 -192.08399 11.38124 2.82862 -193.54657 922.98444
2065.0000 -203.52758 -193.71791 9.80967 2.87305 -192.69434 961.47645
2070.0000 -203.97235 -193.72092 10.25143 2.84165 -193.29658 956.43459
2075.0000 -205.08329 -194.62860 10.45469 2.82889 -193.54144 950.58645
2080.0000 -205.55695 -194.87441 10.68255 2.70989 -195.82387 854.73080
2085.0000 -204.03567 -193.78933 10.24634 2.81864 -193.73804 911.11658
2090.0000 -204.89005 -195.55204 9.33802 2.77680 -194.54039 904.13278
2095.0000 -202.15310 -193.84313 8.30997 2.80338 -194.03068 916.71065
2100.0000 -202.26226 -192.77414 9.48812 2.83606 -193.40377 940.33224
2105.0000 -205.62662 -196.46526 9.16135 2.75139 -195.02776 909.95924
2110.0000 -205.96459 -195.95796 10.00664 2.69613 -196.08776 854.31462
2115.0000 -205.05878 -196.11940 8.93938 2.72844 -195.46810 874.50315
2120.0000 -203.43008 -194.14345 9.28663 2.76893 -194.69136 916.56030
2125.0000 -203.81613 -193.85401 9.96212 2.76002 -194.86230 890.67488
2130.0000 -204.75474 -193.75907 10.99567 2.87569 -192.64372 955.99965
2135.0000 -203.34299 -195.10840 8.23459 2.78051 -194.46923 931.37543
2140.0000 -206.13595 -194.83393 11.30201 2.72012 -195.62756 886.64438
2145.0000 -204.29648 -195.06847 9.22801 2.75320 -194.99311 885.18675
2150.0000 -205.14486 -194.80458 10.34028 2.78879 -194.31051 920.34825
2155.0000 -205.75183 -196.03051 9.72133 2.69998 -196.01387 866.59658
2160.0000 -203.64187 -195.63158 8.01029 2.69005 -196.20426 845.39966
2165.0000 -203.71723 -194.43055 9.28667 2.77338 -194.60609 912.39939
2170.0000 -205.29701 -196.06620 9.23080 2.71730 -195.68173 854.75897
2175.0000 -204.51825 -193.95538 10.56287 2.72199 -195.59165 888.81360
2180.0000 -204.21927 -193.43318 10.78609 2.85866 -192.97035 970.56590
2185.0000 -203.87408 -194.06806 9.80602 2.75988 -194.86490 903.45710
2190.0000 -204.16213 -192.55378 11.60835 2.83159 -193.48965 937.29605
2195.0000 -205.74249 -193.69384 12.04865 2.82568 -193.60286 970.95162
2200.0000 -203.35708 -194.05001 9.30707 2.83923 -193.34308 963.23037
2205.0000 -204.89705 -195.47710 9.41995 2.75297 -194.99745 879.43854
2210.0000 -204.36335 -194.25987 10.10348 2.77519 -194.57133 932.46391
2215.0000 -204.32180 -195.29638 9.02542 2.75816 -194.89791 906.26099
2220.0000 -205.64109 -195.73358 9.90751 2.74597 -195.13184 894.50702
2225.0000 -204.95324 -195.70355 9.24969 2.71489 -195.72781 894.48190
2230.0000 -203.96102 -194.68010 9.28092 2.73521 -195.33814 904.86502
2235.0000 -205.59084 -196.08784 9.50299 2.73780 -195.28853 885.90555
2240.0000 -203.95353 -194.74085 9.21267 2.73704 -195.30314 866.96298
2245.0000 -204.71392 -192.76215 11.95176 2.77922 -194.49402 915.05708
2250.0000 -203.48488 -194.12383 9.36105 2.83905 -193.34656 937.73966
FREEZING PROCESS: loop number 10 T-loop= 888.00000000000000
main_MD> interactions number 10 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60766 7.27940 0.67060
force_rgl> df(natom) 0.69477 1.66090 -1.09422
2255.0000 -204.99594 -193.12631 11.86963 2.84398 -193.25183 968.70973
2260.0000 -203.15668 -193.14793 10.00875 2.80541 -193.99164 923.07939
2265.0000 -203.44553 -193.46535 9.98018 2.81845 -193.74158 946.33407
2270.0000 -202.43391 -192.86824 9.56567 2.86949 -192.76268 982.76298
2275.0000 -203.12541 -192.61360 10.51180 2.86354 -192.87683 966.59844
2280.0000 -203.47438 -193.71738 9.75699 2.88503 -192.46464 974.36848
2285.0000 -203.62904 -195.16978 8.45927 2.75414 -194.97507 901.44670
2290.0000 -203.58982 -194.82799 8.76184 2.77092 -194.65323 906.30593
2295.0000 -204.16994 -194.23710 9.93284 2.83406 -193.44214 943.88935
2300.0000 -203.96334 -194.24127 9.72206 2.79160 -194.25664 914.69931
2305.0000 -204.70474 -196.30534 8.39940 2.73599 -195.32327 883.36713
2310.0000 -203.76556 -194.78919 8.97637 2.77516 -194.57183 905.56868
2315.0000 -206.03221 -196.80449 9.22772 2.71410 -195.74309 887.82977
2320.0000 -204.24969 -194.92768 9.32201 2.70841 -195.85225 862.84849
2325.0000 -204.21563 -193.28444 10.93119 2.80227 -194.05192 928.44156
2330.0000 -201.74602 -192.50399 9.24204 2.86162 -192.91352 946.55771
2335.0000 -202.55374 -193.49236 9.06138 2.88211 -192.52060 972.11902
2340.0000 -205.17112 -194.29688 10.87424 2.89526 -192.26837 977.80782
2345.0000 -204.85734 -193.90269 10.95466 2.82027 -193.70670 917.27658
2350.0000 -204.48875 -194.67696 9.81179 2.77156 -194.64095 908.11914
2355.0000 -206.87989 -195.59358 11.28631 2.67727 -196.44947 836.94246
2360.0000 -203.35424 -194.43599 8.91825 2.79746 -194.14421 927.91136
2365.0000 -204.40331 -193.15141 11.25191 2.86324 -192.88245 958.65148
2370.0000 -205.14148 -194.90720 10.23428 2.82656 -193.58611 931.97076
2375.0000 -203.89318 -194.18715 9.70603 2.73959 -195.25419 869.36175
2380.0000 -204.92888 -196.22178 8.70710 2.75671 -194.92579 867.15846
2385.0000 -204.27828 -194.30396 9.97432 2.75114 -195.03254 888.81546
2390.0000 -204.60986 -194.66468 9.94517 2.80125 -194.07141 914.64072
2395.0000 -204.52719 -195.53048 8.99671 2.76467 -194.77303 904.88398
2400.0000 -205.69933 -196.15545 9.54388 2.70059 -196.00222 865.33787
2405.0000 -203.52188 -195.34902 8.17286 2.73504 -195.34140 886.18799
2410.0000 -205.82970 -195.92713 9.90257 2.67131 -196.56379 846.71480
2415.0000 -205.47789 -195.71860 9.75929 2.70217 -195.97193 829.86970
2420.0000 -203.74790 -195.03565 8.71226 2.74303 -195.18809 871.88898
2425.0000 -205.16513 -196.23353 8.93160 2.69166 -196.17347 832.82590
2430.0000 -201.79268 -193.59177 8.20091 2.77846 -194.50856 904.34008
2435.0000 -204.18821 -194.55521 9.63300 2.77456 -194.58342 897.48520
2440.0000 -204.36471 -195.76652 8.59819 2.66727 -196.64122 820.86557
2445.0000 -206.56315 -196.31871 10.24445 2.71791 -195.66991 867.26869
2450.0000 -206.04737 -196.09042 9.95695 2.70844 -195.85160 894.23424
2455.0000 -205.74773 -195.99548 9.75225 2.71394 -195.74621 870.37877
2460.0000 -204.40006 -194.14447 10.25559 2.77677 -194.54112 923.98417
2465.0000 -203.24629 -191.84682 11.39947 2.82188 -193.67576 936.69570
2470.0000 -201.93910 -193.37044 8.56866 2.93406 -191.52411 1019.57791
2475.0000 -202.40902 -192.46354 9.94548 2.89399 -192.29278 969.06833
2480.0000 -205.00772 -193.89025 11.11748 2.82573 -193.60195 911.55459
2485.0000 -204.14166 -194.03592 10.10574 2.76968 -194.67710 896.59925
2490.0000 -204.99339 -195.98639 9.00700 2.72021 -195.62586 859.60497
2495.0000 -205.22340 -196.00335 9.22004 2.73258 -195.38855 880.66341
2500.0000 -203.75276 -194.52508 9.22768 2.71874 -195.65398 861.14791
FREEZING PROCESS: loop number 11 T-loop= 863.00000000000000
main_MD> interactions number 11 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.28851 -1.45686 -0.31103
force_rgl> df(natom) -0.54898 -2.22334 2.64097
2505.0000 -203.21168 -194.19051 9.02117 2.76777 -194.71372 900.49022
2510.0000 -203.47299 -192.74190 10.73109 2.84149 -193.29964 925.17797
2515.0000 -204.28658 -193.81581 10.47076 2.78993 -194.28854 912.20680
2520.0000 -202.13809 -192.34644 9.79165 2.86649 -192.82019 967.77994
2525.0000 -205.50843 -193.81378 11.69465 2.91197 -191.94778 952.17164
2530.0000 -206.42007 -196.71015 9.70992 2.75747 -194.91128 871.10447
2535.0000 -204.21043 -193.71646 10.49397 2.73598 -195.32331 891.53120
2540.0000 -205.11327 -196.49434 8.61893 2.73477 -195.34653 892.35670
2545.0000 -205.39726 -195.92433 9.47292 2.65722 -196.83400 840.26344
2550.0000 -204.53313 -196.64809 7.88504 2.72133 -195.60443 880.92598
2555.0000 -206.18532 -197.75995 8.42536 2.69082 -196.18951 867.63500
2560.0000 -206.90619 -197.58883 9.31736 2.62427 -197.46607 814.94981
2565.0000 -205.45095 -197.11315 8.33780 2.63083 -197.34016 834.76521
2570.0000 -204.59742 -194.86536 9.73205 2.73787 -195.28711 890.59707
2575.0000 -205.09527 -195.21256 9.88270 2.80168 -194.06326 937.96286
2580.0000 -207.15433 -198.87414 8.28019 2.64420 -197.08373 822.26406
2585.0000 -206.13962 -197.43883 8.70079 2.57473 -198.41622 773.56814
2590.0000 -205.53396 -195.22080 10.31316 2.73683 -195.30703 913.84317
2595.0000 -206.12653 -196.57459 9.55194 2.68280 -196.34348 877.94356
2600.0000 -206.59263 -196.41824 10.17439 2.66970 -196.59459 861.98749
2605.0000 -205.96424 -198.02534 7.93890 2.64153 -197.13490 853.89886
2610.0000 -204.20854 -195.95539 8.25315 2.68251 -196.34888 832.72595
2615.0000 -206.43190 -196.60412 9.82778 2.72766 -195.48292 881.62929
2620.0000 -205.42757 -196.22956 9.19800 2.68309 -196.33778 833.49687
2625.0000 -204.77666 -195.76901 9.00764 2.67378 -196.51637 855.60025
2630.0000 -205.29118 -196.01601 9.27517 2.66564 -196.67254 843.57091
2635.0000 -206.28453 -196.79271 9.49182 2.69622 -196.08595 831.21791
2640.0000 -205.41827 -196.96136 8.45692 2.65148 -196.94416 818.42767
2645.0000 -205.78403 -196.74437 9.03966 2.68148 -196.36868 844.80027
2650.0000 -205.71889 -196.18395 9.53494 2.66435 -196.69724 841.02111
2655.0000 -204.78678 -195.33576 9.45102 2.68272 -196.34484 847.93821
2660.0000 -205.08264 -197.00761 8.07504 2.70141 -195.98650 845.50274
2665.0000 -205.45707 -196.30532 9.15175 2.66723 -196.64201 846.42883
2670.0000 -206.02440 -197.36511 8.65929 2.64504 -197.06770 826.67981
2675.0000 -205.23180 -194.82649 10.40532 2.69201 -196.16669 858.72638
2680.0000 -204.93239 -194.24722 10.68517 2.78084 -194.46305 931.03034
2685.0000 -206.07490 -194.62804 11.44685 2.73149 -195.40947 853.62464
2690.0000 -206.37727 -197.09050 9.28677 2.69730 -196.06524 862.31249
2695.0000 -206.51865 -196.25777 10.26088 2.65045 -196.96391 830.07107
2700.0000 -204.58581 -194.77266 9.81314 2.70961 -195.82913 871.32976
2705.0000 -206.23835 -196.79441 9.44395 2.67174 -196.55548 842.07569
2710.0000 -205.02122 -195.73940 9.28182 2.73929 -195.25991 881.55792
2715.0000 -205.49227 -197.43955 8.05272 2.62361 -197.47874 825.53748
2720.0000 -204.74487 -196.32079 8.42408 2.71819 -195.66459 865.86724
2725.0000 -205.15965 -196.05519 9.10445 2.65485 -196.87948 805.74403
2730.0000 -204.99303 -195.27616 9.71687 2.73400 -195.36144 877.03230
2735.0000 -205.63079 -196.52881 9.10199 2.72428 -195.54779 849.48382
2740.0000 -204.29291 -194.82862 9.46429 2.72684 -195.49874 865.07058
2745.0000 -204.39912 -195.45930 8.93982 2.73055 -195.42754 867.25195
2750.0000 -204.90433 -193.47429 11.43004 2.79755 -194.14251 921.09957
FREEZING PROCESS: loop number 12 T-loop= 838.00000000000000
main_MD> interactions number 12 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40222 -1.07622 -0.29719
force_rgl> df(natom) 0.91165 0.45383 1.42653
2755.0000 -203.23662 -194.60755 8.62907 2.79242 -194.24086 917.75975
2760.0000 -205.22025 -195.37024 9.85002 2.74493 -195.15171 889.92772
2765.0000 -203.70958 -193.82046 9.88912 2.75367 -194.98418 906.75068
2770.0000 -204.56796 -193.63842 10.92954 2.81452 -193.81694 921.43828
2775.0000 -206.62311 -197.08105 9.54206 2.73840 -195.27688 868.56947
2780.0000 -206.34366 -197.52914 8.81451 2.65780 -196.82291 836.11216
2785.0000 -205.80239 -196.30050 9.50188 2.65942 -196.79182 833.15656
2790.0000 -205.71314 -196.84024 8.87289 2.66942 -196.60011 865.83616
2795.0000 -205.94219 -197.38192 8.56028 2.63164 -197.32474 845.01512
2800.0000 -206.38753 -196.51772 9.86981 2.65213 -196.93167 817.75425
2805.0000 -207.37727 -199.41300 7.96427 2.56151 -198.66975 782.68243
2810.0000 -205.47014 -197.27322 8.19692 2.58062 -198.30319 778.85668
2815.0000 -206.27488 -196.48461 9.79028 2.65383 -196.89913 820.44961
2820.0000 -205.62186 -196.58554 9.03632 2.68921 -196.22048 857.59059
2825.0000 -206.10175 -195.80869 10.29306 2.70140 -195.98662 860.50686
2830.0000 -206.73949 -197.93960 8.79989 2.65179 -196.93816 843.83416
2835.0000 -203.45024 -195.10052 8.34972 2.71196 -195.78417 847.98429
2840.0000 -205.64104 -195.93393 9.70710 2.76855 -194.69872 887.96096
2845.0000 -206.33259 -197.55966 8.77293 2.67868 -196.42239 844.62543
2850.0000 -205.51873 -197.02841 8.49031 2.66283 -196.72642 829.32658
2855.0000 -203.00093 -193.41587 9.58506 2.71420 -195.74112 839.69044
2860.0000 -207.18326 -196.76896 10.41430 2.77239 -194.62500 924.47050
2865.0000 -206.29136 -195.01323 11.27813 2.74331 -195.18275 909.22930
2870.0000 -204.43326 -194.39546 10.03781 2.73967 -195.25259 900.49022
2875.0000 -205.52556 -197.08021 8.44535 2.74213 -195.20538 895.62299
2880.0000 -205.89921 -197.43496 8.46425 2.64550 -197.05883 831.56268
2885.0000 -204.93322 -196.23807 8.69515 2.65976 -196.78525 827.36366
2890.0000 -206.49301 -195.90416 10.58885 2.66354 -196.71271 847.47068
2895.0000 -206.21510 -198.02361 8.19149 2.60629 -197.81088 793.15573
2900.0000 -207.13366 -198.42861 8.70505 2.61397 -197.66352 805.32149
2905.0000 -205.79872 -196.23885 9.55987 2.64565 -197.05591 833.16483
2910.0000 -204.20849 -194.82632 9.38217 2.75916 -194.87873 904.33743
2915.0000 -205.72755 -195.16649 10.56105 2.69355 -196.13717 845.20492
2920.0000 -202.68010 -193.13164 9.54847 2.79085 -194.27095 892.21204
2925.0000 -204.24824 -194.97329 9.27495 2.77276 -194.61790 871.09614
2930.0000 -206.50432 -196.89651 9.60781 2.71338 -195.75678 858.28078
2935.0000 -205.47113 -196.97348 8.49766 2.66919 -196.60434 845.35545
2940.0000 -205.06081 -195.46802 9.59279 2.72217 -195.58824 868.28504
2945.0000 -204.07065 -195.42604 8.64461 2.73577 -195.32745 871.03099
2950.0000 -205.52380 -196.70059 8.82321 2.67656 -196.46304 822.00080
2955.0000 -206.06551 -195.47216 10.59335 2.70395 -195.93783 861.16565
2960.0000 -205.73004 -195.85605 9.87399 2.76099 -194.84367 889.69331
2965.0000 -204.75598 -196.40924 8.34674 2.69167 -196.17323 861.05521
2970.0000 -204.91391 -195.90435 9.00956 2.67991 -196.39873 842.99979
2975.0000 -207.54355 -197.47115 10.07241 2.71057 -195.81084 885.90735
2980.0000 -206.17651 -197.42365 8.75286 2.60662 -197.80456 824.77870
2985.0000 -205.29915 -195.15347 10.14568 2.71552 -195.71580 880.60617
2990.0000 -206.05555 -197.73547 8.32009 2.69405 -196.12766 856.38461
2995.0000 -204.95196 -195.50170 9.45027 2.63056 -197.34539 819.35996
3000.0000 -204.75768 -196.14097 8.61670 2.73772 -195.29009 863.73765
FREEZING PROCESS: loop number 13 T-loop= 813.00000000000000
main_MD> interactions number 13 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76113 2.34292 -2.38830
force_rgl> df(natom) 2.12206 -2.20612 3.32549
3005.0000 -205.16167 -195.24908 9.91258 2.71800 -195.66829 869.05743
3010.0000 -205.95883 -197.23086 8.72796 2.70617 -195.89511 864.01892
3015.0000 -204.52480 -196.96350 7.56130 2.63462 -197.26752 798.18562
3020.0000 -206.19132 -197.43655 8.75477 2.62917 -197.37211 800.23688
3025.0000 -205.59428 -197.06724 8.52704 2.67082 -196.57310 859.22618
3030.0000 -206.69189 -198.20530 8.48659 2.62652 -197.42292 826.45815
3035.0000 -206.01672 -197.55596 8.46075 2.59463 -198.03443 802.53702
3040.0000 -206.94936 -197.96649 8.98287 2.60129 -197.90673 814.29371
3045.0000 -207.89360 -198.68347 9.21013 2.60571 -197.82204 821.17637
3050.0000 -206.69032 -197.80746 8.88287 2.58516 -198.21622 807.42975
3055.0000 -205.85023 -197.61630 8.23394 2.59327 -198.06064 812.54175
3060.0000 -207.94561 -199.08937 8.85624 2.56585 -198.58649 755.51665
3065.0000 -207.60726 -198.66007 8.94719 2.57697 -198.37319 797.75886
3070.0000 -205.65983 -196.97840 8.68143 2.59768 -197.97600 819.39506
3075.0000 -208.61417 -198.92335 9.69082 2.58030 -198.30931 796.12508
3080.0000 -206.53591 -198.61165 7.92426 2.59661 -197.99652 795.46403
3085.0000 -207.24997 -198.71547 8.53450 2.57533 -198.40467 769.02055
3090.0000 -205.98125 -196.56636 9.41489 2.59911 -197.94859 797.16441
3095.0000 -205.73781 -196.35553 9.38228 2.69205 -196.16601 849.39367
3100.0000 -206.58547 -196.65872 9.92675 2.67736 -196.44765 851.45276
3105.0000 -205.49990 -196.59942 8.90048 2.67157 -196.55874 828.67873
3110.0000 -207.20101 -197.92134 9.27967 2.60846 -197.76920 814.90980
3115.0000 -207.10011 -197.53225 9.56786 2.62073 -197.53391 807.01422
3120.0000 -203.92511 -193.96120 9.96390 2.71498 -195.72627 849.81916
3125.0000 -205.80527 -196.38157 9.42370 2.76546 -194.75797 904.11423
3130.0000 -205.87615 -197.48049 8.39565 2.63159 -197.32568 817.12508
3135.0000 -204.83590 -195.34338 9.49252 2.71324 -195.75957 859.32763
3140.0000 -206.14540 -196.13197 10.01343 2.72326 -195.56746 868.87014
3145.0000 -207.13471 -198.08763 9.04708 2.64891 -196.99332 832.29505
3150.0000 -205.39753 -196.68937 8.70816 2.62339 -197.48288 846.85746
3155.0000 -206.45667 -195.99710 10.45957 2.67208 -196.54904 848.03290
3160.0000 -205.54955 -196.84251 8.70705 2.65808 -196.81754 837.19746
3165.0000 -205.35379 -197.05843 8.29536 2.69123 -196.18178 866.98588
3170.0000 -207.64587 -198.47499 9.17088 2.56974 -198.51185 775.40331
3175.0000 -206.75955 -197.98537 8.77418 2.56954 -198.51576 809.80540
3180.0000 -206.06627 -197.03490 9.03137 2.66984 -196.59204 839.50813
3185.0000 -202.63176 -194.28799 8.34377 2.72097 -195.61127 868.71892
3190.0000 -207.65898 -197.30383 10.35515 2.71713 -195.68496 853.71252
3195.0000 -205.58985 -197.53606 8.05379 2.60907 -197.75754 801.29159
3200.0000 -206.68610 -197.75554 8.93056 2.61830 -197.58044 815.05152
3205.0000 -205.96220 -197.71818 8.24402 2.62228 -197.50419 799.45199
3210.0000 -205.03059 -196.63846 8.39213 2.63496 -197.26103 821.80523
3215.0000 -206.27337 -198.15921 8.11417 2.64178 -197.13008 826.63449
3220.0000 -207.32443 -199.10065 8.22378 2.58222 -198.27261 790.49730
3225.0000 -207.15545 -199.62193 7.53352 2.52414 -199.38646 742.52615
3230.0000 -208.31473 -200.80731 7.50742 2.49710 -199.90525 733.04126
3235.0000 -206.53379 -198.69867 7.83512 2.52063 -199.45389 748.54793
3240.0000 -205.44022 -197.60248 7.83774 2.60142 -197.90419 787.41188
3245.0000 -208.70583 -197.15111 11.55472 2.62106 -197.52766 806.14285
3250.0000 -205.71368 -197.01601 8.69766 2.61861 -197.57452 824.54790
FREEZING PROCESS: loop number 14 T-loop= 788.00000000000000
main_MD> interactions number 14 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67695 -3.84951 -3.07693
force_rgl> df(natom) -0.40100 -3.86123 -0.02801
3255.0000 -206.59290 -198.56423 8.02867 2.58731 -198.17482 782.00496
3260.0000 -206.58604 -197.25881 9.32723 2.58920 -198.13872 802.76304
3265.0000 -206.79347 -198.86142 7.93206 2.59415 -198.04379 796.67809
3270.0000 -208.91907 -198.57963 10.33945 2.57005 -198.50605 778.43385
3275.0000 -204.80319 -197.41647 7.38672 2.58611 -198.19788 770.34187
3280.0000 -207.68107 -198.93204 8.74904 2.57913 -198.33184 761.57313
3285.0000 -206.56598 -200.25903 6.30694 2.51629 -199.53716 745.81972
3290.0000 -210.01046 -201.09926 8.91119 2.45528 -200.70732 708.14231
3295.0000 -207.80504 -200.12353 7.68151 2.40834 -201.60752 686.49460
3300.0000 -207.62428 -199.42709 8.19719 2.49971 -199.85508 724.93750
3305.0000 -206.44255 -197.55107 8.89147 2.53768 -199.12678 776.19422
3310.0000 -205.54201 -196.95671 8.58530 2.62866 -197.38186 802.23220
3315.0000 -205.41646 -196.92957 8.48689 2.66528 -196.67944 847.95084
3320.0000 -207.55705 -199.21482 8.34223 2.60471 -197.84120 792.38948
3325.0000 -205.62889 -195.90836 9.72053 2.60957 -197.74788 804.03075
3330.0000 -207.00082 -197.89879 9.10203 2.62305 -197.48943 836.35085
3335.0000 -208.07195 -198.92325 9.14870 2.55755 -198.74567 796.67955
3340.0000 -206.86542 -197.80294 9.06249 2.59618 -198.00485 806.44859
3345.0000 -206.24560 -197.44128 8.80432 2.62621 -197.42877 782.84727
3350.0000 -206.35559 -197.29124 9.06435 2.64579 -197.05318 811.15914
3355.0000 -206.95233 -197.96496 8.98736 2.59471 -198.03295 784.36559
3360.0000 -207.20697 -197.60941 9.59757 2.59983 -197.93479 784.15241
3365.0000 -208.07482 -199.27337 8.80145 2.58009 -198.31339 777.33781
3370.0000 -208.83495 -200.25957 8.57538 2.52789 -199.31456 780.43567
3375.0000 -207.24452 -199.17330 8.07121 2.51204 -199.61856 743.60930
3380.0000 -205.24120 -196.95028 8.29092 2.63140 -197.32924 813.67351
3385.0000 -206.25440 -197.72497 8.52944 2.63429 -197.27387 813.93510
3390.0000 -205.36662 -196.33037 9.03625 2.63876 -197.18809 829.51800
3395.0000 -204.90172 -197.32732 7.57441 2.62152 -197.51871 826.24644
3400.0000 -206.76168 -198.04193 8.71975 2.64642 -197.04108 807.24627
3405.0000 -205.74851 -196.23122 9.51729 2.56103 -198.67897 779.68544
3410.0000 -205.78629 -197.46978 8.31651 2.63142 -197.32887 800.34407
3415.0000 -205.79918 -197.46326 8.33592 2.63102 -197.33661 817.11368
3420.0000 -208.48059 -200.30582 8.17477 2.55836 -198.73010 750.05899
3425.0000 -208.09653 -200.13710 7.95943 2.52800 -199.31239 761.90435
3430.0000 -206.25316 -198.46204 7.79112 2.52744 -199.32321 732.50728
3435.0000 -206.45346 -198.22446 8.22900 2.60825 -197.77318 788.01643
3440.0000 -207.12145 -198.29404 8.82741 2.56167 -198.66671 791.80168
3445.0000 -206.68629 -197.42778 9.25851 2.61707 -197.60405 813.90625
3450.0000 -205.89003 -197.06190 8.82813 2.66423 -196.69961 849.58616
3455.0000 -205.51226 -195.82519 9.68708 2.66750 -196.63679 853.56247
3460.0000 -206.98256 -198.55730 8.42526 2.64807 -197.00948 801.06620
3465.0000 -205.93300 -197.46656 8.46644 2.56503 -198.60221 773.89018
3470.0000 -205.15716 -196.02020 9.13696 2.67298 -196.53178 836.01975
3475.0000 -208.23168 -199.36692 8.86476 2.60281 -197.87753 789.26804
3480.0000 -205.04293 -197.34006 7.70287 2.54639 -198.95973 741.89170
3485.0000 -206.07977 -197.12695 8.95282 2.63962 -197.17159 808.00569
3490.0000 -206.80333 -198.48873 8.31460 2.57921 -198.33026 792.59856
3495.0000 -206.44187 -198.18068 8.26119 2.59255 -198.07444 777.69444
3500.0000 -204.69872 -196.97529 7.72343 2.60741 -197.78943 805.46255
FREEZING PROCESS: loop number 15 T-loop= 763.00000000000000
main_MD> interactions number 15 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06729 -0.14699 -0.75069
force_rgl> df(natom) -0.23495 1.53629 -0.31251
3505.0000 -206.66835 -197.09692 9.57142 2.65060 -196.96102 819.56363
3510.0000 -207.38922 -199.33955 8.04968 2.63768 -197.20871 820.35917
3515.0000 -206.96418 -197.89759 9.06659 2.59932 -197.94451 802.22071
3520.0000 -205.65102 -198.28063 7.37040 2.60475 -197.84041 810.93309
3525.0000 -208.53236 -200.44423 8.08814 2.53897 -199.10203 777.34980
3530.0000 -208.84567 -200.83492 8.01075 2.47557 -200.31817 745.94300
3535.0000 -208.21436 -200.40713 7.80723 2.43641 -201.06911 700.19908
3540.0000 -208.29755 -200.74597 7.55158 2.48996 -200.04207 726.63193
3545.0000 -206.51606 -198.65013 7.86593 2.51316 -199.59718 731.86887
3550.0000 -206.61902 -197.74561 8.87341 2.56947 -198.51709 801.61137
3555.0000 -206.22727 -197.88650 8.34077 2.59209 -198.08316 798.97173
3560.0000 -205.11955 -196.87404 8.24551 2.59917 -197.94744 774.85734
3565.0000 -206.22009 -197.67007 8.55003 2.59692 -197.99057 814.01463
3570.0000 -205.77154 -196.13472 9.63681 2.64283 -197.11000 828.58421
3575.0000 -207.65212 -199.01783 8.63429 2.62946 -197.36640 816.88814
3580.0000 -206.16645 -198.73613 7.43032 2.56068 -198.68561 768.44401
3585.0000 -207.11169 -198.72385 8.38784 2.53774 -199.12563 760.38994
3590.0000 -205.76820 -198.43919 7.32901 2.59239 -198.07756 785.42400
3595.0000 -207.23730 -197.37073 9.86657 2.62087 -197.53120 827.50185
3600.0000 -206.79797 -197.94554 8.85243 2.60990 -197.74161 816.17336
3605.0000 -205.27664 -198.62684 6.64980 2.58901 -198.14236 776.65645
3610.0000 -206.10124 -197.85425 8.24698 2.55294 -198.83416 756.18762
3615.0000 -207.61025 -199.61198 7.99827 2.55468 -198.80070 777.48843
3620.0000 -207.12856 -198.75129 8.37727 2.57199 -198.46875 793.46336
3625.0000 -207.95010 -200.04948 7.90061 2.52134 -199.44030 739.31689
3630.0000 -205.61583 -197.20928 8.40656 2.55510 -198.79266 757.59758
3635.0000 -207.29668 -198.87603 8.42066 2.60285 -197.87685 806.31269
3640.0000 -207.29404 -198.19586 9.09818 2.53460 -199.18583 761.37199
3645.0000 -206.61185 -197.79138 8.82047 2.63575 -197.24589 816.92364
3650.0000 -208.51875 -200.54088 7.97788 2.50302 -199.79162 744.13231
3655.0000 -207.49510 -199.59810 7.89700 2.50190 -199.81306 742.57203
3660.0000 -208.54791 -200.01387 8.53404 2.52554 -199.35969 760.43289
3665.0000 -207.96729 -201.05081 6.91648 2.41796 -201.42316 694.88584
3670.0000 -206.96473 -199.39012 7.57460 2.48502 -200.13684 739.53970
3675.0000 -205.98133 -198.50455 7.47678 2.56987 -198.50941 781.31801
3680.0000 -207.07937 -199.47999 7.59938 2.57110 -198.48583 771.67698
3685.0000 -204.65815 -195.62809 9.03006 2.62537 -197.44485 805.87564
3690.0000 -206.43322 -197.53403 8.89919 2.62983 -197.35938 830.64642
3695.0000 -206.52347 -198.52976 7.99370 2.60602 -197.81612 804.48385
3700.0000 -206.88071 -199.20480 7.67591 2.51859 -199.49292 748.00792
3705.0000 -206.12705 -198.27842 7.84863 2.56450 -198.61245 749.80696
3710.0000 -207.62257 -198.17539 9.44718 2.56609 -198.58193 772.64247
3715.0000 -208.24668 -199.92502 8.32166 2.51362 -199.58836 757.81310
3720.0000 -207.02806 -198.61381 8.41425 2.50807 -199.69469 723.96689
3725.0000 -207.19357 -198.73935 8.45422 2.53278 -199.22081 750.36184
3730.0000 -207.82887 -200.12372 7.70516 2.48779 -200.08376 741.41661
3735.0000 -207.29892 -198.62392 8.67500 2.56116 -198.67638 757.20357
3740.0000 -206.46996 -198.33584 8.13412 2.56116 -198.67645 763.85407
3745.0000 -206.83892 -198.86519 7.97374 2.59812 -197.96749 780.19140
3750.0000 -208.99747 -200.03608 8.96139 2.54027 -199.07714 762.65734
FREEZING PROCESS: loop number 16 T-loop= 738.00000000000000
main_MD> interactions number 16 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.07022 0.56138 2.21494
force_rgl> df(natom) 0.49510 -1.68752 0.58760
3755.0000 -208.00259 -200.12946 7.87313 2.45536 -200.70571 710.64338
3760.0000 -207.18162 -199.76806 7.41357 2.53244 -199.22737 769.77322
3765.0000 -208.39667 -199.28690 9.10977 2.50859 -199.68480 722.99516
3770.0000 -207.07078 -198.80023 8.27055 2.52780 -199.31625 752.93870
3775.0000 -205.15203 -197.97855 7.17348 2.53580 -199.16285 768.45489
3780.0000 -205.69392 -198.33501 7.35891 2.55983 -198.70205 767.57083
3785.0000 -208.00577 -199.37215 8.63363 2.52061 -199.45429 736.57630
3790.0000 -206.99520 -199.39706 7.59814 2.55409 -198.81213 779.93091
3795.0000 -208.57008 -200.73847 7.83161 2.50573 -199.73971 723.48763
3800.0000 -207.72901 -200.79856 6.93045 2.46456 -200.52936 716.57190
3805.0000 -209.07975 -202.16785 6.91190 2.39259 -201.90960 665.61871
3810.0000 -207.50531 -200.18535 7.31996 2.43272 -201.13991 661.84177
3815.0000 -206.61441 -199.25082 7.36358 2.49495 -199.94647 720.50077
3820.0000 -207.45180 -200.21753 7.23427 2.48993 -200.04268 725.80250
3825.0000 -208.62546 -200.65809 7.96736 2.49664 -199.91394 718.75266
3830.0000 -207.88057 -201.80527 6.07530 2.41278 -201.52245 677.78971
3835.0000 -209.07275 -201.31987 7.75287 2.39025 -201.95456 680.12517
3840.0000 -208.13624 -199.75382 8.38242 2.49199 -200.00320 735.33861
3845.0000 -207.47156 -200.01840 7.45316 2.49938 -199.86138 758.47619
3850.0000 -208.11985 -199.05512 9.06473 2.52196 -199.42824 738.37999
3855.0000 -208.78953 -200.50975 8.27978 2.50863 -199.68405 765.03710
3860.0000 -208.72306 -200.02412 8.69894 2.47937 -200.24531 750.54673
3865.0000 -208.99513 -200.87614 8.11899 2.45500 -200.71257 707.79492
3870.0000 -207.40767 -199.62267 7.78500 2.45790 -200.65704 707.62726
3875.0000 -208.33947 -200.52781 7.81166 2.51198 -199.61978 719.54575
3880.0000 -209.05204 -201.67574 7.37630 2.44967 -200.81487 699.53296
3885.0000 -208.84432 -201.44263 7.40170 2.38637 -202.02902 676.68078
3890.0000 -207.98220 -201.56290 6.41929 2.41072 -201.56200 681.80033
3895.0000 -209.62145 -201.05961 8.56184 2.40286 -201.71278 702.82725
3900.0000 -206.93176 -199.71969 7.21208 2.46441 -200.53215 738.63284
3905.0000 -208.60170 -200.13818 8.46353 2.46284 -200.56230 726.13524
3910.0000 -206.44829 -198.06806 8.38022 2.51062 -199.64593 757.93529
3915.0000 -207.85233 -200.41475 7.43758 2.54379 -199.00968 778.24194
3920.0000 -206.30294 -199.07704 7.22590 2.51417 -199.57766 733.82432
3925.0000 -207.67484 -199.26709 8.40775 2.58764 -198.16852 778.76327
3930.0000 -206.53828 -198.69348 7.84479 2.55823 -198.73272 754.45973
3935.0000 -207.38422 -199.10074 8.28349 2.56369 -198.62789 777.71978
3940.0000 -207.67237 -199.94228 7.73009 2.51782 -199.50778 742.98283
3945.0000 -208.59433 -200.68234 7.91199 2.46430 -200.53422 729.14599
3950.0000 -208.14819 -200.23947 7.90873 2.46393 -200.54141 706.32921
3955.0000 -206.29118 -199.01421 7.27697 2.52713 -199.32918 745.01681
3960.0000 -208.93922 -200.57374 8.36548 2.50942 -199.66883 714.13750
3965.0000 -207.49604 -199.44422 8.05183 2.49553 -199.93526 722.49478
3970.0000 -206.98664 -199.26693 7.71971 2.52905 -199.29227 747.78876
3975.0000 -205.82971 -198.55709 7.27262 2.55060 -198.87898 747.32256
3980.0000 -208.20040 -200.88483 7.31557 2.47186 -200.38919 707.64540
3985.0000 -207.74699 -199.64407 8.10292 2.47977 -200.23746 731.10192
3990.0000 -208.01851 -200.18454 7.83396 2.50442 -199.76479 733.46783
3995.0000 -208.75803 -199.22343 9.53461 2.48950 -200.05085 731.03348
4000.0000 -207.22873 -199.62990 7.59883 2.52399 -199.38937 751.48802
FREEZING PROCESS: loop number 17 T-loop= 713.00000000000000
main_MD> interactions number 17 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78800 1.55023 -2.60325
force_rgl> df(natom) 1.28927 -1.10872 2.25004
4005.0000 -207.70386 -199.19371 8.51015 2.51279 -199.60423 717.83977
4010.0000 -208.28214 -199.89772 8.38442 2.44072 -200.98652 702.90358
4015.0000 -208.67497 -200.95511 7.71986 2.52542 -199.36196 749.30667
4020.0000 -206.91890 -199.96564 6.95326 2.49558 -199.93433 707.01179
4025.0000 -208.35534 -200.75789 7.59744 2.49784 -199.89097 707.08978
4030.0000 -207.37204 -199.80720 7.56484 2.45130 -200.78363 700.52260
4035.0000 -208.99076 -201.03884 7.95193 2.47756 -200.27987 736.22161
4040.0000 -207.57879 -201.18488 6.39390 2.42822 -201.22622 701.17817
4045.0000 -207.53587 -200.01219 7.52367 2.47419 -200.34466 708.95499
4050.0000 -206.98869 -199.43496 7.55373 2.53496 -199.17901 768.99575
4055.0000 -207.35574 -198.51504 8.84070 2.52139 -199.43933 745.19894
4060.0000 -208.04210 -199.70471 8.33739 2.56013 -198.69628 765.44845
4065.0000 -207.94221 -200.99361 6.94860 2.44095 -200.98222 703.26494
4070.0000 -206.40839 -199.03906 7.36933 2.48740 -200.09121 693.92089
4075.0000 -208.62744 -200.88899 7.73846 2.47414 -200.34551 700.93240
4080.0000 -207.71326 -199.59025 8.12301 2.49333 -199.97755 729.20926
4085.0000 -208.01520 -200.15774 7.85747 2.51100 -199.63848 745.56248
4090.0000 -208.62130 -201.30432 7.31698 2.40482 -201.67502 686.08844
4095.0000 -207.17596 -198.57846 8.59750 2.47206 -200.38535 704.44645
4100.0000 -208.30458 -200.12496 8.17962 2.56770 -198.55112 783.67056
4105.0000 -207.55438 -199.14064 8.41374 2.48401 -200.15620 726.55532
4110.0000 -207.29775 -199.09025 8.20750 2.52891 -199.29494 744.50889
4115.0000 -208.17074 -200.54948 7.62126 2.48147 -200.20499 731.34287
4120.0000 -209.22762 -200.46270 8.76492 2.45041 -200.80066 715.22275
4125.0000 -207.64160 -200.48229 7.15931 2.48224 -200.19022 722.83311
4130.0000 -208.81374 -201.30309 7.51064 2.43269 -201.14047 689.10969
4135.0000 -209.22580 -201.33937 7.88643 2.46872 -200.44955 735.32337
4140.0000 -208.85196 -201.06388 7.78808 2.43224 -201.14918 682.26799
4145.0000 -208.75955 -200.57357 8.18598 2.43893 -201.02086 701.89027
4150.0000 -207.05919 -199.90540 7.15379 2.48470 -200.14308 738.50757
4155.0000 -209.12641 -200.14311 8.98330 2.49995 -199.85050 758.29006
4160.0000 -207.25524 -198.56968 8.68556 2.53578 -199.16323 755.34518
4165.0000 -208.51020 -201.05015 7.46005 2.51516 -199.55880 744.94538
4170.0000 -206.62816 -198.32940 8.29876 2.51208 -199.61781 743.80567
4175.0000 -208.21115 -201.34711 6.86404 2.46960 -200.43254 707.47317
4180.0000 -210.24007 -203.08306 7.15701 2.42571 -201.27446 677.11953
4185.0000 -207.58674 -199.04041 8.54633 2.46584 -200.50466 706.84951
4190.0000 -208.43757 -201.46086 6.97671 2.48808 -200.07825 709.81994
4195.0000 -209.31255 -201.01339 8.29916 2.42798 -201.23095 700.68873
4200.0000 -207.27999 -198.83001 8.44999 2.48942 -200.05252 735.47462
4205.0000 -208.05609 -200.03213 8.02396 2.49561 -199.93382 737.68928
4210.0000 -207.45924 -199.79668 7.66257 2.49778 -199.89217 753.63674
4215.0000 -208.65448 -200.31200 8.34248 2.50476 -199.75821 753.05548
4220.0000 -208.71990 -200.63950 8.08040 2.43215 -201.15086 685.90655
4225.0000 -208.94016 -201.20579 7.73438 2.42177 -201.34993 643.65405
4230.0000 -208.37058 -200.02602 8.34456 2.47954 -200.24197 715.48044
4235.0000 -208.54212 -200.42516 8.11696 2.48596 -200.11878 688.54040
4240.0000 -206.49590 -199.97997 6.51593 2.47512 -200.32670 703.91399
4245.0000 -208.01005 -200.38867 7.62139 2.47548 -200.31984 737.33428
4250.0000 -208.57699 -201.67040 6.90660 2.41948 -201.39383 682.98407
FREEZING PROCESS: loop number 18 T-loop= 688.00000000000000
main_MD> interactions number 18 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.50740 -1.74128 -0.98463
force_rgl> df(natom) -0.59071 0.28268 -0.23972
4255.0000 -207.88641 -199.82895 8.05745 2.42780 -201.23431 704.57954
4260.0000 -209.93961 -203.16316 6.77645 2.43280 -201.13846 694.88383
4265.0000 -208.53539 -201.07118 7.46421 2.32954 -203.11905 624.23661
4270.0000 -207.93195 -199.53023 8.40172 2.46525 -200.51611 695.74108
4275.0000 -209.60209 -200.71084 8.89125 2.47691 -200.29239 715.06351
4280.0000 -208.08827 -200.75424 7.33403 2.43481 -201.09983 679.85502
4285.0000 -207.69695 -200.10841 7.58854 2.42444 -201.29878 676.85906
4290.0000 -206.98295 -199.38849 7.59446 2.50868 -199.68308 727.74135
4295.0000 -207.64833 -199.81426 7.83407 2.55758 -198.74512 746.50254
4300.0000 -209.02414 -201.92331 7.10083 2.40199 -201.72940 660.51341
4305.0000 -208.03356 -200.49991 7.53365 2.42463 -201.29523 686.15987
4310.0000 -208.97408 -201.30148 7.67259 2.45002 -200.80820 690.38120
4315.0000 -208.76782 -200.49163 8.27618 2.45045 -200.79991 692.34201
4320.0000 -208.47683 -201.86246 6.61437 2.42181 -201.34930 682.52259
4325.0000 -208.40152 -200.67416 7.72736 2.42489 -201.29008 666.99425
4330.0000 -210.23937 -201.66699 8.57238 2.41477 -201.48432 691.49472
4335.0000 -209.19275 -200.77744 8.41531 2.44988 -200.81078 733.69067
4340.0000 -208.90160 -200.91049 7.99111 2.42909 -201.20963 693.90269
4345.0000 -208.11230 -201.58613 6.52618 2.43831 -201.03268 701.16622
4350.0000 -208.39042 -200.57670 7.81372 2.38767 -202.00408 664.09974
4355.0000 -208.34054 -200.90195 7.43858 2.41962 -201.39131 700.60036
4360.0000 -209.23875 -200.70271 8.53604 2.43409 -201.11361 695.96660
4365.0000 -209.17146 -202.81213 6.35932 2.43528 -201.09087 677.92324
4370.0000 -210.30290 -202.36026 7.94264 2.37079 -202.32774 669.56356
4375.0000 -210.01972 -202.96667 7.05305 2.37268 -202.29157 674.00925
4380.0000 -209.28482 -201.67991 7.60491 2.38140 -202.12422 661.58088
4385.0000 -208.67117 -201.21094 7.46023 2.41612 -201.45832 671.21044
4390.0000 -207.72704 -200.02668 7.70036 2.44421 -200.91960 684.31811
4395.0000 -208.97971 -200.78210 8.19762 2.48716 -200.09571 727.06074
4400.0000 -207.36106 -200.28273 7.07833 2.47212 -200.38434 724.21159
4405.0000 -206.47703 -197.94461 8.53242 2.49989 -199.85163 711.57993
4410.0000 -208.60759 -200.73904 7.86855 2.52125 -199.44195 747.55493
4415.0000 -208.15145 -199.61224 8.53922 2.41504 -201.47902 690.99508
4420.0000 -208.13101 -199.42159 8.70942 2.51844 -199.49589 758.14247
4425.0000 -207.97556 -199.21795 8.75761 2.51823 -199.49987 745.15333
4430.0000 -208.35592 -201.34063 7.01530 2.47143 -200.39750 745.62978
4435.0000 -208.98605 -200.02429 8.96176 2.45861 -200.64346 716.71677
4440.0000 -208.77958 -200.88720 7.89238 2.48320 -200.17169 728.84174
4445.0000 -208.23112 -201.53508 6.69604 2.43015 -201.18918 690.53052
4450.0000 -207.97262 -200.43213 7.54048 2.44541 -200.89657 695.12606
4455.0000 -208.29869 -201.51099 6.78770 2.48247 -200.18569 735.46677
4460.0000 -209.79630 -202.10961 7.68669 2.40580 -201.65622 666.87753
4465.0000 -208.32934 -200.47655 7.85279 2.45756 -200.66355 722.22937
4470.0000 -208.21035 -199.75072 8.45963 2.48517 -200.13405 737.05322
4475.0000 -208.68633 -199.96840 8.71793 2.47133 -200.39950 706.05439
4480.0000 -206.25752 -198.88769 7.36983 2.52121 -199.44277 751.76473
4485.0000 -208.07203 -199.36268 8.70934 2.48660 -200.10660 720.90746
4490.0000 -207.40164 -200.17669 7.22495 2.48673 -200.10401 715.16519
4495.0000 -209.63444 -201.67678 7.95765 2.49106 -200.02096 732.63583
4500.0000 -207.07425 -200.29469 6.77955 2.43802 -201.03835 686.75661
FREEZING PROCESS: loop number 19 T-loop= 663.00000000000000
main_MD> interactions number 19 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57661 0.34985 -0.22680
force_rgl> df(natom) -3.60715 0.66303 -0.49365
4505.0000 -208.48981 -200.33622 8.15359 2.48978 -200.04549 704.96263
4510.0000 -209.05505 -202.69563 6.35942 2.39002 -201.95905 655.72172
4515.0000 -209.78595 -202.13513 7.65082 2.37094 -202.32487 658.59966
4520.0000 -209.74252 -201.69074 8.05177 2.42562 -201.27616 679.14659
4525.0000 -208.24798 -201.28268 6.96530 2.39321 -201.89777 669.29737
4530.0000 -209.37251 -202.43002 6.94249 2.38683 -202.02015 664.88907
4535.0000 -210.21759 -203.28090 6.93668 2.33606 -202.99384 637.18587
4540.0000 -208.99798 -201.01035 7.98764 2.38883 -201.98181 664.14511
4545.0000 -208.89611 -201.55428 7.34183 2.40993 -201.57715 670.19838
4550.0000 -209.48417 -201.50820 7.97597 2.47198 -200.38690 736.72970
4555.0000 -210.93764 -203.26735 7.67029 2.33591 -202.99679 649.06356
4560.0000 -208.35414 -201.14851 7.20563 2.39030 -201.95359 671.53620
4565.0000 -209.78343 -202.09624 7.68719 2.38735 -202.01013 668.17965
4570.0000 -208.93280 -201.99722 6.93558 2.38938 -201.97132 673.55600
4575.0000 -209.61540 -202.80788 6.80752 2.35988 -202.53697 657.82592
4580.0000 -209.01776 -202.10488 6.91288 2.41082 -201.55995 660.56691
4585.0000 -207.55645 -200.47874 7.07772 2.42603 -201.26832 671.12960
4590.0000 -209.59547 -201.59832 7.99715 2.44091 -200.98292 676.75301
4595.0000 -208.91331 -201.19381 7.71950 2.40937 -201.58785 668.72566
4600.0000 -207.62379 -198.72102 8.90277 2.49135 -200.01537 698.15418
4605.0000 -210.00657 -202.14364 7.86294 2.47558 -200.31783 717.66095
4610.0000 -209.42309 -203.16022 6.26287 2.37776 -202.19405 647.24629
4615.0000 -211.34942 -204.17110 7.17832 2.31280 -203.44005 623.51533
4620.0000 -211.66816 -203.69558 7.97258 2.29524 -203.77678 618.45402
4625.0000 -209.10333 -201.54759 7.55574 2.36431 -202.45215 680.13132
4630.0000 -208.53722 -200.29653 8.24069 2.38887 -201.98095 658.95075
4635.0000 -210.42129 -204.34149 6.07980 2.36809 -202.37960 660.52593
4640.0000 -210.49036 -204.67389 5.81647 2.26127 -204.42850 601.46274
4645.0000 -209.60222 -203.31924 6.28298 2.29885 -203.70772 626.18738
4650.0000 -208.96188 -202.25502 6.70686 2.33607 -202.99377 646.74120
4655.0000 -210.07825 -201.68331 8.39494 2.37322 -202.28125 666.61929
4660.0000 -207.86357 -200.56694 7.29663 2.44644 -200.87678 701.61648
4665.0000 -209.31741 -201.42156 7.89586 2.43794 -201.03993 692.82360
4670.0000 -209.54494 -201.69446 7.85048 2.40064 -201.75533 661.38789
4675.0000 -209.91783 -203.40941 6.50842 2.36796 -202.38203 648.92167
4680.0000 -209.30189 -201.77899 7.52289 2.34082 -202.90272 635.86592
4685.0000 -209.33264 -202.38232 6.95032 2.36875 -202.36698 622.09134
4690.0000 -209.86147 -204.28619 5.57527 2.29629 -203.75672 626.33214
4695.0000 -211.00491 -202.98127 8.02364 2.29845 -203.71535 621.96706
4700.0000 -210.12290 -203.47638 6.64652 2.32755 -203.15722 609.91400
4705.0000 -210.10809 -204.40711 5.70098 2.28843 -203.90740 596.22365
4710.0000 -210.42219 -203.18693 7.23526 2.31560 -203.38627 607.99996
4715.0000 -210.19369 -203.64155 6.55214 2.34178 -202.88413 643.06961
4720.0000 -210.21091 -202.32609 7.88482 2.34515 -202.81963 640.85787
4725.0000 -208.50146 -201.51800 6.98347 2.36691 -202.40220 643.79316
4730.0000 -209.55822 -202.01436 7.54386 2.39799 -201.80601 684.69797
4735.0000 -209.52557 -202.68674 6.83883 2.36293 -202.47855 666.42564
4740.0000 -210.01806 -203.58520 6.43286 2.32705 -203.16676 631.31978
4745.0000 -210.37058 -203.19766 7.17292 2.28255 -204.02034 601.25719
4750.0000 -209.20443 -202.41193 6.79250 2.34859 -202.75366 636.78036
FREEZING PROCESS: loop number 20 T-loop= 638.00000000000000
main_MD> interactions number 20 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17904 0.82651 -0.92148
force_rgl> df(natom) 0.55134 0.47859 -2.68542
4755.0000 -208.91527 -201.85101 7.06426 2.38775 -202.00257 676.94386
4760.0000 -209.67675 -202.85550 6.82125 2.37437 -202.25917 662.37793
4765.0000 -209.84723 -203.12063 6.72660 2.33722 -202.97166 630.11748
4770.0000 -211.22124 -205.02096 6.20028 2.26687 -204.32110 594.40459
4775.0000 -211.00686 -204.77810 6.22876 2.24260 -204.78652 589.20122
4780.0000 -211.38285 -204.93527 6.44757 2.20877 -205.43530 563.33308
4785.0000 -209.11600 -202.62432 6.49167 2.30802 -203.53183 633.28400
4790.0000 -210.51144 -203.21327 7.29817 2.32964 -203.11702 633.85537
4795.0000 -208.35462 -201.38715 6.96747 2.38226 -202.10787 663.58123
4800.0000 -210.00483 -202.62343 7.38141 2.38651 -202.02638 657.86382
4805.0000 -210.11986 -203.26484 6.85502 2.33414 -203.03066 637.97158
4810.0000 -211.12640 -204.38460 6.74180 2.28737 -203.92789 607.28949
4815.0000 -210.63873 -202.61203 8.02669 2.29447 -203.79156 600.85646
4820.0000 -208.89241 -201.81925 7.07316 2.34451 -202.83189 638.25542
4825.0000 -209.76927 -202.75749 7.01178 2.35858 -202.56190 656.94519
4830.0000 -209.63557 -203.14164 6.49392 2.33541 -203.00632 630.82785
4835.0000 -209.25810 -201.72495 7.53315 2.41134 -201.54996 687.80619
4840.0000 -207.13328 -199.43012 7.70316 2.44592 -200.88672 707.14530
4845.0000 -208.91526 -200.97780 7.93746 2.47332 -200.36135 717.87529
4850.0000 -209.01881 -201.25978 7.75903 2.42774 -201.23544 661.08370
4855.0000 -209.22595 -202.77752 6.44843 2.38562 -202.04342 649.88021
4860.0000 -208.06673 -200.72235 7.34438 2.41405 -201.49812 672.20050
4865.0000 -209.65529 -203.13980 6.51548 2.36936 -202.35521 662.17103
4870.0000 -208.95875 -203.08327 5.87548 2.33157 -203.07997 620.53221
4875.0000 -210.91441 -204.12400 6.79041 2.28486 -203.97590 607.15605
4880.0000 -209.91960 -202.52680 7.39279 2.29312 -203.81751 614.96708
4885.0000 -210.02223 -204.21765 5.80458 2.29097 -203.85875 603.53226
4890.0000 -210.74711 -204.09370 6.65342 2.29493 -203.78282 601.45340
4895.0000 -210.28678 -203.40685 6.87993 2.30199 -203.64746 617.87634
4900.0000 -208.86587 -201.85828 7.00759 2.34381 -202.84529 639.74590
4905.0000 -210.38921 -203.36166 7.02755 2.32733 -203.16138 642.05509
4910.0000 -210.27297 -203.49514 6.77782 2.30921 -203.50899 621.77874
4915.0000 -211.18357 -204.17120 7.01237 2.29250 -203.82946 636.31051
4920.0000 -210.52879 -203.38017 7.14862 2.26995 -204.26200 615.83283
4925.0000 -209.68823 -201.70050 7.98773 2.34234 -202.87343 650.07608
4930.0000 -209.89405 -203.05782 6.83623 2.37655 -202.21732 668.54760
4935.0000 -209.94894 -202.57219 7.37674 2.31663 -203.36657 619.99333
4940.0000 -209.76282 -202.28871 7.47411 2.38633 -202.02966 673.63414
4945.0000 -208.45036 -200.85285 7.59751 2.40623 -201.64811 683.18839
4950.0000 -209.48726 -201.80736 7.67989 2.40646 -201.64362 688.68979
4955.0000 -208.31259 -200.45678 7.85581 2.42469 -201.29395 694.69240
4960.0000 -209.16556 -200.77027 8.39529 2.46974 -200.42988 711.86503
4965.0000 -208.74029 -202.01784 6.72244 2.39030 -201.95364 660.13165
4970.0000 -208.90932 -201.08664 7.82268 2.41039 -201.56817 691.95499
4975.0000 -209.39616 -201.46874 7.92743 2.41837 -201.41530 672.32913
4980.0000 -209.46054 -203.30289 6.15765 2.37773 -202.19466 664.49875
4985.0000 -209.92137 -203.52640 6.39497 2.32442 -203.21713 629.25207
4990.0000 -209.96848 -203.63078 6.33770 2.27875 -204.09312 603.11575
4995.0000 -210.12131 -203.80681 6.31451 2.27106 -204.24068 582.69073
5000.0000 -211.05740 -204.53617 6.52123 2.30287 -203.63047 611.48611
FREEZING PROCESS: loop number 21 T-loop= 613.00000000000000
main_MD> interactions number 21 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30912 0.20097 -2.08999
force_rgl> df(natom) -2.72969 -0.19294 -1.54188
5005.0000 -211.52221 -204.60349 6.91872 2.25757 -204.49933 595.79770
5010.0000 -211.83796 -205.59001 6.24795 2.24313 -204.77625 594.34723
5015.0000 -211.72689 -204.51681 7.21008 2.23915 -204.85266 591.05417
5020.0000 -211.03164 -205.13497 5.89667 2.26763 -204.30652 592.99357
5025.0000 -210.35904 -204.11657 6.24247 2.27075 -204.24667 563.65081
5030.0000 -209.44483 -203.27348 6.17134 2.30188 -203.64947 600.86411
5035.0000 -209.66454 -204.50759 5.15695 2.28525 -203.96842 573.11595
5040.0000 -210.07158 -203.73483 6.33675 2.32091 -203.28457 606.83360
5045.0000 -210.37178 -203.69549 6.67629 2.30007 -203.68424 609.12639
5050.0000 -209.93153 -203.56058 6.37094 2.31773 -203.34553 631.79587
5055.0000 -210.27127 -203.48817 6.78310 2.28952 -203.88659 572.00311
5060.0000 -210.26512 -203.71316 6.55196 2.29128 -203.85288 586.89951
5065.0000 -209.69941 -203.21730 6.48211 2.31415 -203.41423 613.91521
5070.0000 -210.12451 -201.94627 8.17825 2.34787 -202.76742 656.78575
5075.0000 -209.41335 -203.13996 6.27339 2.35580 -202.61525 633.04655
5080.0000 -208.32341 -202.03858 6.28482 2.37534 -202.24056 639.27648
5085.0000 -208.84910 -201.77958 7.06951 2.39617 -201.84110 669.48277
5090.0000 -209.59860 -203.06118 6.53743 2.35816 -202.56999 625.66317
5095.0000 -209.54379 -202.23013 7.31367 2.32530 -203.20028 611.98739
5100.0000 -209.71357 -203.16333 6.55024 2.37473 -202.25232 630.00928
5105.0000 -209.40675 -202.75919 6.64756 2.30671 -203.55684 578.79024
5110.0000 -210.37421 -203.92646 6.44775 2.32523 -203.20167 641.09316
5115.0000 -211.47306 -203.97525 7.49781 2.28164 -204.03773 639.19419
5120.0000 -212.01873 -205.56905 6.44967 2.26655 -204.32719 624.63910
5125.0000 -210.71689 -204.18271 6.53418 2.21904 -205.23848 569.64240
5130.0000 -211.34924 -204.22650 7.12274 2.30311 -203.62594 642.66687
5135.0000 -211.13664 -204.22658 6.91006 2.26112 -204.43137 615.36430
5140.0000 -211.26189 -204.02604 7.23585 2.27268 -204.20966 622.78098
5145.0000 -211.46476 -204.72129 6.74347 2.30458 -203.59774 627.74280
5150.0000 -209.75143 -202.73997 7.01146 2.31899 -203.32132 627.57034
5155.0000 -211.25993 -203.82266 7.43727 2.32266 -203.25092 629.23003
5160.0000 -211.35032 -205.14894 6.20138 2.25425 -204.56300 591.79061
5165.0000 -211.26878 -204.77730 6.49148 2.22893 -205.04872 573.28497
5170.0000 -209.99395 -204.11264 5.88131 2.26792 -204.30089 619.26342
5175.0000 -211.13619 -204.36993 6.76626 2.31767 -203.34659 632.82173
5180.0000 -210.69259 -203.22626 7.46633 2.26330 -204.38957 596.18956
5185.0000 -210.90821 -204.81192 6.09629 2.32283 -203.24767 625.23487
5190.0000 -211.80770 -205.07954 6.72816 2.24163 -204.80521 585.59905
5195.0000 -211.65900 -204.70994 6.94907 2.25981 -204.45650 627.40086
5200.0000 -212.41592 -206.06019 6.35574 2.21018 -205.40825 591.55776
5205.0000 -211.87056 -206.10552 5.76503 2.15809 -206.40751 533.60159
5210.0000 -209.97482 -204.19013 5.78469 2.21500 -205.31592 561.45994
5215.0000 -210.28615 -203.68721 6.59894 2.29336 -203.81288 619.82116
5220.0000 -210.09255 -203.54272 6.54983 2.29518 -203.77795 612.14695
5225.0000 -210.35136 -204.16505 6.18631 2.26384 -204.37914 587.34323
5230.0000 -210.08254 -203.47116 6.61138 2.30240 -203.63948 601.92513
5235.0000 -210.81026 -203.77686 7.03340 2.31125 -203.46980 632.93847
5240.0000 -209.82417 -202.29483 7.52934 2.30335 -203.62133 613.96077
5245.0000 -209.92727 -203.85294 6.07433 2.33795 -202.95763 624.63979
5250.0000 -210.52020 -204.26933 6.25086 2.28079 -204.05395 604.30215
FREEZING PROCESS: loop number 22 T-loop= 588.00000000000000
main_MD> interactions number 22 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04734 -2.74844 -2.72404
force_rgl> df(natom) -0.67581 1.36784 0.42877
5255.0000 -210.97618 -204.27307 6.70311 2.26422 -204.37183 599.68619
5260.0000 -212.66275 -205.50857 7.15417 2.23197 -204.99039 588.15402
5265.0000 -211.25946 -205.33903 5.92044 2.20286 -205.54874 573.94973
5270.0000 -211.81547 -206.52838 5.28709 2.22870 -205.05303 560.89718
5275.0000 -211.79840 -205.51422 6.28418 2.19063 -205.78326 531.25897
5280.0000 -211.59482 -205.08312 6.51171 2.21577 -205.30117 563.78972
5285.0000 -210.01142 -203.75005 6.26137 2.26907 -204.27881 587.70692
5290.0000 -209.82581 -203.58804 6.23777 2.31494 -203.39904 616.99115
5295.0000 -211.17365 -204.25680 6.91685 2.26801 -204.29923 582.93089
5300.0000 -209.46511 -202.77074 6.69436 2.28987 -203.87984 607.27599
5305.0000 -210.57328 -203.77069 6.80259 2.32496 -203.20681 646.50434
5310.0000 -210.41116 -203.34659 7.06457 2.33611 -202.99305 640.61489
5315.0000 -209.57271 -203.32225 6.25046 2.34858 -202.75386 648.97707
5320.0000 -210.79343 -204.34770 6.44573 2.29558 -203.77039 604.47632
5325.0000 -211.62936 -205.16652 6.46284 2.26806 -204.29814 583.41256
5330.0000 -210.73689 -204.52484 6.21205 2.26064 -204.44048 581.26409
5335.0000 -211.40786 -205.30604 6.10182 2.22145 -205.19220 545.45246
5340.0000 -210.72392 -203.64406 7.07985 2.26826 -204.29426 587.00508
5345.0000 -210.63266 -204.11455 6.51811 2.28968 -203.88345 596.82898
5350.0000 -210.97276 -204.62432 6.34844 2.24556 -204.72972 564.30826
5355.0000 -210.49831 -203.99918 6.49913 2.26117 -204.43024 580.88725
5360.0000 -210.98332 -205.51365 5.46967 2.28723 -203.93053 612.12332
5365.0000 -211.09301 -205.02212 6.07089 2.23470 -204.93807 591.02049
5370.0000 -210.82718 -204.28593 6.54125 2.25698 -204.51070 606.84706
5375.0000 -212.19297 -204.91245 7.28052 2.25481 -204.55240 589.62079
5380.0000 -211.31566 -204.70709 6.60857 2.25683 -204.51351 608.46760
5385.0000 -211.33883 -205.05898 6.27985 2.22308 -205.16100 572.06501
5390.0000 -210.32647 -204.10799 6.21849 2.22829 -205.06090 561.75502
5395.0000 -211.43628 -204.47424 6.96204 2.24638 -204.71397 584.20063
5400.0000 -210.68608 -204.49406 6.19203 2.23869 -204.86143 571.38256
5405.0000 -212.00222 -205.12676 6.87546 2.22893 -205.04870 562.79119
5410.0000 -211.07565 -204.95433 6.12132 2.20681 -205.47301 558.49504
5415.0000 -212.94816 -206.69434 6.25382 2.24069 -204.82308 585.93715
5420.0000 -211.65203 -205.38090 6.27113 2.17397 -206.10280 548.22802
5425.0000 -212.06631 -205.27727 6.78904 2.23563 -204.92028 598.58321
5430.0000 -209.92992 -203.12670 6.80323 2.22706 -205.08453 589.47911
5435.0000 -211.32091 -205.04080 6.28011 2.27392 -204.18574 597.69585
5440.0000 -211.24760 -205.54287 5.70474 2.22645 -205.09630 558.70834
5445.0000 -211.90526 -205.34789 6.55738 2.19872 -205.62816 558.05311
5450.0000 -210.85099 -205.55066 5.30032 2.18313 -205.92716 575.00214
5455.0000 -211.49089 -205.04602 6.44487 2.20954 -205.42060 601.79064
5460.0000 -210.99161 -204.41556 6.57605 2.27909 -204.08653 612.03555
5465.0000 -210.58916 -203.99435 6.59482 2.24300 -204.77880 600.20980
5470.0000 -209.04181 -202.60131 6.44050 2.28443 -203.98428 600.64383
5475.0000 -209.80111 -203.54478 6.25633 2.30128 -203.66108 589.50114
5480.0000 -209.85900 -203.06057 6.79843 2.33124 -203.08635 635.93457
5485.0000 -209.93239 -204.87435 5.05804 2.26756 -204.30783 569.61991
5490.0000 -211.14958 -205.08264 6.06694 2.23298 -204.97102 555.27907
5495.0000 -209.98214 -203.89116 6.09098 2.26806 -204.29813 580.88946
5500.0000 -210.29704 -203.74133 6.55571 2.25297 -204.58764 596.89788
FREEZING PROCESS: loop number 23 T-loop= 563.00000000000000
main_MD> interactions number 23 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.98304 1.27673 -1.69628
force_rgl> df(natom) 1.66869 3.33259 2.81229
5505.0000 -210.75207 -204.53378 6.21828 2.25776 -204.49572 587.27457
5510.0000 -211.12512 -205.11232 6.01280 2.23864 -204.86248 572.72282
5515.0000 -212.11156 -206.04741 6.06414 2.20855 -205.43955 564.05363
5520.0000 -211.22657 -206.21820 5.00837 2.19116 -205.77308 534.38365
5525.0000 -210.89374 -204.69744 6.19630 2.19356 -205.72708 520.90930
5530.0000 -211.01732 -204.59816 6.41916 2.26347 -204.38620 554.03992
5535.0000 -211.07051 -202.97675 8.09376 2.25060 -204.63298 558.57583
5540.0000 -210.62590 -204.33808 6.28782 2.29822 -203.71975 591.26599
5545.0000 -210.73181 -204.53131 6.20050 2.27889 -204.09046 578.49228
5550.0000 -211.55083 -205.15741 6.39342 2.25670 -204.51609 602.02803
5555.0000 -212.91432 -206.82511 6.08921 2.16116 -206.34858 536.67283
5560.0000 -212.86090 -206.44848 6.41243 2.15834 -206.40255 543.25251
5565.0000 -211.70081 -205.23059 6.47022 2.19964 -205.61044 556.03576
5570.0000 -211.02734 -204.68486 6.34248 2.19503 -205.69892 574.16435
5575.0000 -210.67690 -204.07435 6.60255 2.25514 -204.54590 618.87831
5580.0000 -211.54414 -204.78072 6.76342 2.25957 -204.46103 610.91181
5585.0000 -212.09670 -206.43735 5.65935 2.20505 -205.50669 558.33954
5590.0000 -210.39665 -204.47837 5.91827 2.20511 -205.50559 545.75011
5595.0000 -211.07468 -203.96990 7.10477 2.28564 -203.96103 578.39686
5600.0000 -210.63876 -204.67056 5.96820 2.27623 -204.14153 594.27670
5605.0000 -211.87815 -205.55320 6.32495 2.24518 -204.73705 573.68524
5610.0000 -210.97386 -205.00777 5.96609 2.23559 -204.92094 584.17214
5615.0000 -210.10075 -203.73716 6.36359 2.27852 -204.09747 614.25286
5620.0000 -210.76880 -205.03168 5.73712 2.23407 -204.95004 567.47219
5625.0000 -212.07283 -206.61688 5.45595 2.21232 -205.36737 573.92797
5630.0000 -211.74398 -206.30834 5.43564 2.15229 -206.51871 517.54887
5635.0000 -210.25518 -204.34971 5.90547 2.15561 -206.45508 498.14418
5640.0000 -211.25832 -205.23990 6.01842 2.22664 -205.09263 561.30004
5645.0000 -211.79088 -206.04836 5.74252 2.18589 -205.87424 540.23881
5650.0000 -211.41431 -205.41148 6.00283 2.22508 -205.12261 559.38128
5655.0000 -210.38329 -205.13354 5.24976 2.17858 -206.01437 511.13068
5660.0000 -211.87319 -204.55667 7.31652 2.22035 -205.21326 564.79836
5665.0000 -211.97589 -206.18345 5.79244 2.18731 -205.84700 555.57528
5670.0000 -213.15868 -207.00150 6.15718 2.17164 -206.14749 534.19707
5675.0000 -211.70636 -205.51811 6.18824 2.18297 -205.93014 557.16104
5680.0000 -211.05430 -205.52968 5.52462 2.19137 -205.76910 561.09407
5685.0000 -210.56697 -205.26923 5.29774 2.20578 -205.49271 565.83014
5690.0000 -210.58614 -204.96026 5.62587 2.20888 -205.43336 565.74095
5695.0000 -211.52800 -205.78658 5.74142 2.20918 -205.42743 579.57741
5700.0000 -212.01933 -205.81659 6.20274 2.18249 -205.93938 551.29826
5705.0000 -211.93880 -205.85361 6.08519 2.19685 -205.66410 587.03579
5710.0000 -212.32537 -205.88585 6.43953 2.20578 -205.49279 572.17260
5715.0000 -212.37872 -204.95297 7.42575 2.20558 -205.49664 586.15311
5720.0000 -211.06006 -204.84728 6.21279 2.23553 -204.92213 589.97990
5725.0000 -210.48667 -205.01361 5.47306 2.26069 -204.43952 568.74024
5730.0000 -211.42831 -205.23854 6.18977 2.20612 -205.48617 547.16944
5735.0000 -210.94548 -204.19320 6.75228 2.26586 -204.34040 584.45451
5740.0000 -211.79585 -206.02235 5.77350 2.25159 -204.61410 588.64921
5745.0000 -210.44878 -204.94383 5.50496 2.17982 -205.99069 543.29850
5750.0000 -211.63773 -205.21043 6.42730 2.23356 -204.95988 594.37998
FREEZING PROCESS: loop number 24 T-loop= 538.00000000000000
main_MD> interactions number 24 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.82743 3.79253 0.41760
force_rgl> df(natom) -0.04745 -0.84318 1.18095
5755.0000 -211.25697 -205.10624 6.15073 2.22647 -205.09596 575.02724
5760.0000 -211.73062 -205.76431 5.96631 2.21594 -205.29776 569.32983
5765.0000 -211.76029 -205.85822 5.90207 2.18068 -205.97411 541.20482
5770.0000 -213.13862 -207.26282 5.87580 2.18017 -205.98387 546.09483
5775.0000 -212.46132 -206.60554 5.85578 2.11533 -207.22760 507.95828
5780.0000 -211.28575 -205.48411 5.80165 2.18059 -205.97590 558.01401
5785.0000 -211.56834 -205.92149 5.64685 2.17767 -206.03192 556.67301
5790.0000 -211.81050 -205.31894 6.49157 2.21668 -205.28366 591.46622
5795.0000 -210.98188 -205.86349 5.11839 2.19629 -205.67474 558.70564
5800.0000 -211.49787 -204.87321 6.62466 2.22294 -205.16367 581.79891
5805.0000 -211.10397 -205.45096 5.65301 2.18455 -205.89988 559.55279
5810.0000 -211.74720 -205.63641 6.11079 2.20330 -205.54036 557.83931
5815.0000 -212.03218 -205.88496 6.14722 2.17685 -206.04764 542.01962
5820.0000 -212.91118 -207.60307 5.30811 2.13812 -206.79049 507.71217
5825.0000 -213.03400 -206.03394 7.00006 2.12058 -207.12696 503.37353
5830.0000 -212.57312 -207.25201 5.32111 2.12067 -207.12507 512.05255
5835.0000 -213.26812 -208.02310 5.24502 2.12756 -206.99297 528.34938
5840.0000 -213.62192 -208.61864 5.00328 2.06495 -208.19392 489.00943
5845.0000 -213.73934 -207.70465 6.03468 2.08136 -207.87905 520.63270
5850.0000 -212.89646 -208.13789 4.75858 2.07804 -207.94280 516.58898
5855.0000 -212.79280 -206.56119 6.23162 2.08118 -207.88265 507.69494
5860.0000 -213.27345 -206.40664 6.86681 2.13891 -206.77530 546.43126
5865.0000 -212.09241 -206.10507 5.98734 2.16775 -206.22205 550.27199
5870.0000 -212.35623 -206.95429 5.40194 2.15753 -206.41818 556.41819
5875.0000 -212.70724 -207.58251 5.12473 2.11253 -207.28123 534.89374
5880.0000 -212.86048 -206.94043 5.92005 2.12072 -207.12415 522.41108
5885.0000 -212.26735 -206.25644 6.01092 2.13932 -206.76753 534.18486
5890.0000 -212.73665 -207.02018 5.71648 2.11432 -207.24691 514.42200
5895.0000 -213.62963 -208.33134 5.29829 2.07010 -208.09518 476.21338
5900.0000 -213.38190 -207.56762 5.81428 2.06939 -208.10880 481.55341
5905.0000 -212.89603 -207.21047 5.68556 2.10387 -207.44735 514.07355
5910.0000 -212.73247 -206.82916 5.90331 2.14641 -206.63137 550.18719
5915.0000 -211.51603 -205.96453 5.55150 2.15208 -206.52276 547.99333
5920.0000 -211.96908 -206.21530 5.75379 2.14196 -206.71685 526.78853
5925.0000 -213.64317 -207.81082 5.83235 2.14575 -206.64415 537.98663
5930.0000 -212.92956 -207.05251 5.87706 2.11173 -207.29661 529.22087
5935.0000 -213.93938 -207.68811 6.25127 2.10671 -207.39290 528.21584
5940.0000 -213.55690 -208.20130 5.35560 2.09936 -207.53389 521.15214
5945.0000 -213.40681 -207.67035 5.73646 2.07004 -208.09627 499.91539
5950.0000 -214.27978 -208.56611 5.71368 2.07191 -208.06040 507.80034
5955.0000 -213.24599 -207.13487 6.11112 2.08953 -207.72240 506.69286
5960.0000 -212.75602 -206.73648 6.01953 2.09881 -207.54444 513.11432
5965.0000 -212.81252 -206.89376 5.91876 2.14090 -206.73704 532.15334
5970.0000 -212.56620 -206.81133 5.75487 2.11071 -207.31621 511.41177
5975.0000 -211.64372 -205.88116 5.76257 2.15805 -206.40815 542.43531
5980.0000 -211.48868 -204.79532 6.69336 2.20422 -205.52273 575.37099
5985.0000 -210.61028 -204.15062 6.45965 2.27206 -204.22148 606.69129
5990.0000 -210.33912 -203.91216 6.42696 2.27579 -204.14991 606.99436
5995.0000 -211.07856 -204.83251 6.24605 2.27175 -204.22745 599.37824
6000.0000 -211.00306 -204.70776 6.29530 2.26134 -204.42704 586.81522
FREEZING PROCESS: loop number 25 T-loop= 513.00000000000000
main_MD> interactions number 25 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83233 0.52020 0.53022
force_rgl> df(natom) 1.62104 -0.05513 -2.15727
6005.0000 -212.19584 -205.95359 6.24225 2.20358 -205.53495 553.40429
6010.0000 -210.60840 -205.42521 5.18319 2.20999 -205.41198 562.08633
6015.0000 -211.88650 -207.10090 4.78561 2.18815 -205.83089 529.39925
6020.0000 -212.06439 -207.44370 4.62069 2.13347 -206.87965 484.20223
6025.0000 -212.12356 -206.52923 5.59433 2.12731 -206.99784 471.26311
6030.0000 -212.64154 -207.07533 5.56621 2.12374 -207.06636 485.14795
6035.0000 -213.33997 -207.44775 5.89222 2.12372 -207.06663 499.80279
6040.0000 -211.97379 -206.01949 5.95430 2.11833 -207.16998 489.12677
6045.0000 -211.90025 -206.13294 5.76731 2.17126 -206.15480 545.02110
6050.0000 -212.53448 -206.73740 5.79709 2.16348 -206.30413 529.88955
6055.0000 -211.16608 -204.76209 6.40398 2.16803 -206.21680 537.15239
6060.0000 -210.09907 -204.48624 5.61283 2.24451 -204.74986 561.72782
6065.0000 -211.45238 -205.79468 5.65771 2.20534 -205.50116 524.15396
6070.0000 -211.08548 -205.81227 5.27322 2.17512 -206.08071 503.54077
6075.0000 -211.44287 -205.74261 5.70026 2.19571 -205.68592 522.03249
6080.0000 -211.10360 -204.97763 6.12598 2.19497 -205.70003 539.85869
6085.0000 -211.74946 -206.46603 5.28343 2.21312 -205.35202 548.55258
6090.0000 -212.91057 -206.40308 6.50748 2.17349 -206.11209 503.65735
6095.0000 -211.92893 -206.40251 5.52642 2.14399 -206.67794 493.49256
6100.0000 -211.84001 -206.24345 5.59656 2.13088 -206.92939 516.31765
6105.0000 -211.67112 -206.32200 5.34912 2.19064 -205.78316 544.29076
6110.0000 -212.42101 -207.08501 5.33600 2.15932 -206.38379 515.89052
6115.0000 -212.38047 -206.96997 5.41050 2.10566 -207.41296 474.50325
6120.0000 -212.21472 -206.27335 5.94137 2.14335 -206.69012 503.94943
6125.0000 -211.54080 -206.27316 5.26764 2.16643 -206.24746 526.04094
6130.0000 -212.48976 -206.65669 5.83307 2.14596 -206.64004 507.85371
6135.0000 -212.64796 -207.13305 5.51492 2.14959 -206.57053 518.49229
6140.0000 -212.48224 -206.80957 5.67267 2.13163 -206.91488 501.39523
6145.0000 -212.88115 -207.39577 5.48538 2.11323 -207.26777 504.84851
6150.0000 -212.70965 -207.55269 5.15697 2.11467 -207.24023 505.93880
6155.0000 -212.47666 -207.80014 4.67652 2.08864 -207.73948 479.97105
6160.0000 -211.96959 -205.71164 6.25795 2.11715 -207.19267 502.66654
6165.0000 -211.56770 -206.28998 5.27772 2.17194 -206.14172 537.58724
6170.0000 -212.92588 -207.01443 5.91145 2.13738 -206.80456 516.62319
6175.0000 -212.43936 -207.88267 4.55669 2.12140 -207.11120 493.70480
6180.0000 -212.77541 -207.44956 5.32585 2.06514 -208.19019 469.88382
6185.0000 -213.71856 -208.04766 5.67089 2.09083 -207.69742 506.69489
6190.0000 -213.02203 -207.91713 5.10490 2.09049 -207.70401 515.83546
6195.0000 -211.97239 -206.02762 5.94477 2.12131 -207.11293 523.14738
6200.0000 -213.11702 -207.36592 5.75109 2.11949 -207.14779 535.54154
6205.0000 -213.83070 -209.02206 4.80865 2.06387 -208.21450 497.44144
6210.0000 -213.72453 -208.97769 4.74685 2.04603 -208.55684 466.60537
6215.0000 -213.73781 -208.09248 5.64533 2.06815 -208.13246 486.33372
6220.0000 -213.77740 -207.71866 6.05874 2.09215 -207.67212 494.78603
6225.0000 -212.58650 -207.35844 5.22806 2.09544 -207.60903 499.61514
6230.0000 -212.40409 -206.56943 5.83466 2.12949 -206.95597 519.53927
6235.0000 -213.02177 -207.16225 5.85952 2.15478 -206.47086 553.93301
6240.0000 -212.83173 -207.60591 5.22582 2.11059 -207.31852 524.82216
6245.0000 -211.92955 -207.07305 4.85650 2.10141 -207.49449 507.47623
6250.0000 -212.92508 -207.42566 5.49942 2.12884 -206.96840 531.18974
FREEZING PROCESS: loop number 26 T-loop= 488.00000000000000
main_MD> interactions number 26 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.12120 1.06337 1.03940
force_rgl> df(natom) -1.51535 -0.99139 -0.97706
6255.0000 -213.97486 -208.57825 5.39661 2.04793 -208.52037 487.05776
6260.0000 -212.88188 -207.62175 5.26013 2.07203 -208.05816 500.80917
6265.0000 -213.09512 -208.24350 4.85162 2.06066 -208.27624 504.23097
6270.0000 -213.89469 -208.51188 5.38281 2.05124 -208.45682 492.92802
6275.0000 -213.80769 -207.57166 6.23604 2.07539 -207.99356 517.28486
6280.0000 -212.72508 -207.23278 5.49230 2.10667 -207.39360 522.43111
6285.0000 -213.07417 -207.98484 5.08933 2.08686 -207.77366 526.63537
6290.0000 -213.49970 -207.89371 5.60599 2.05725 -208.34164 495.30257
6295.0000 -214.74169 -208.54728 6.19441 2.06288 -208.23363 501.20438
6300.0000 -213.86415 -208.37854 5.48562 2.02867 -208.88980 478.21902
6305.0000 -213.75068 -207.01702 6.73366 2.08442 -207.82050 518.01626
6310.0000 -212.99953 -207.17999 5.81954 2.12392 -207.06290 524.80278
6315.0000 -214.09173 -208.71032 5.38141 2.07106 -208.07665 500.96104
6320.0000 -214.15867 -208.32772 5.83095 2.04781 -208.52261 479.85022
6325.0000 -213.80159 -208.42182 5.37978 2.04796 -208.51981 466.98035
6330.0000 -213.59600 -208.87815 4.71785 2.03168 -208.83201 463.13265
6335.0000 -213.19003 -207.54688 5.64315 2.05659 -208.35429 464.87880
6340.0000 -213.32987 -208.05855 5.27132 2.09316 -207.65275 513.34993
6345.0000 -213.45353 -208.02945 5.42408 2.07790 -207.94549 492.77505
6350.0000 -213.33714 -207.40482 5.93231 2.08958 -207.72149 498.57344
6355.0000 -213.29435 -206.89616 6.39819 2.12793 -206.98582 540.00689
6360.0000 -212.40942 -206.06068 6.34874 2.15087 -206.54597 564.02869
6365.0000 -213.09235 -207.25128 5.84107 2.12983 -206.94948 535.42434
6370.0000 -213.11748 -208.97880 4.13867 2.05777 -208.33159 466.20145
6375.0000 -213.86447 -208.58606 5.27842 2.03842 -208.70274 449.19533
6380.0000 -213.53374 -207.67219 5.86156 2.09102 -207.69379 514.28897
6385.0000 -212.56317 -207.93951 4.62366 2.08758 -207.75992 516.72463
6390.0000 -213.93675 -208.65875 5.27800 2.09679 -207.58325 508.21612
6395.0000 -215.15882 -210.17779 4.98103 1.98098 -209.80441 436.46950
6400.0000 -213.70161 -208.60805 5.09357 2.02301 -208.99827 476.28060
6405.0000 -213.13336 -207.44562 5.68775 2.05551 -208.37495 497.34547
6410.0000 -214.27405 -209.02617 5.24788 2.06344 -208.22289 486.06165
6415.0000 -213.47115 -208.69599 4.77516 2.05560 -208.37316 474.79835
6420.0000 -214.37250 -208.94252 5.42999 2.01561 -209.14019 455.52542
6425.0000 -213.44092 -208.80783 4.63309 2.03111 -208.84293 465.54316
6430.0000 -214.48607 -209.04077 5.44531 2.01415 -209.16830 446.75761
6435.0000 -213.61810 -208.48715 5.13095 2.01184 -209.21244 450.44699
6440.0000 -213.59733 -208.29793 5.29939 2.05549 -208.37523 483.12650
6445.0000 -213.39268 -208.88966 4.50302 2.04393 -208.59696 474.75738
6450.0000 -213.45911 -208.36015 5.09895 2.04521 -208.57243 461.93711
6455.0000 -212.91656 -207.71174 5.20482 2.08597 -207.79068 515.76213
6460.0000 -212.85035 -207.17403 5.67631 2.11789 -207.17839 528.42070
6465.0000 -213.90674 -208.46402 5.44272 2.07108 -208.07629 501.72682
6470.0000 -214.29720 -208.64796 5.64924 2.03755 -208.71950 468.18448
6475.0000 -214.04029 -208.16169 5.87860 2.04077 -208.65770 475.70052
6480.0000 -213.71849 -208.79444 4.92405 2.05155 -208.45093 471.62455
6485.0000 -214.03854 -208.97290 5.06564 2.03193 -208.82721 455.05935
6490.0000 -213.54392 -207.12929 6.41464 2.07245 -208.05002 490.30943
6495.0000 -212.71831 -206.83868 5.87962 2.11490 -207.23586 512.10501
6500.0000 -213.52859 -208.11748 5.41110 2.10845 -207.35948 506.96909
FREEZING PROCESS: loop number 27 T-loop= 463.00000000000000
main_MD> interactions number 27 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37798 2.64873 -2.68343
force_rgl> df(natom) 2.91922 0.15125 1.06132
6505.0000 -213.09801 -207.32947 5.76854 2.06540 -208.18515 483.17905
6510.0000 -214.32060 -208.58316 5.73745 2.07098 -208.07813 494.42374
6515.0000 -213.76421 -208.81037 4.95384 2.04477 -208.58097 492.62982
6520.0000 -213.41224 -208.66787 4.74437 2.06370 -208.21791 503.94137
6525.0000 -213.65403 -209.20980 4.44422 2.04602 -208.55690 483.95674
6530.0000 -215.09608 -210.72629 4.36979 1.96746 -210.06382 427.35245
6535.0000 -213.95877 -209.12026 4.83851 1.97903 -209.84186 441.93406
6540.0000 -214.35406 -209.68977 4.66429 2.00388 -209.36522 467.09119
6545.0000 -214.74063 -209.15445 5.58618 2.00490 -209.34568 463.55478
6550.0000 -214.05793 -209.07471 4.98321 2.00061 -209.42797 457.02955
6555.0000 -214.51203 -208.46290 6.04912 2.02453 -208.96915 472.92401
6560.0000 -213.61281 -208.43363 5.17918 2.03327 -208.80156 472.31032
6565.0000 -213.87849 -209.48619 4.39230 2.03180 -208.82978 450.61752
6570.0000 -214.38647 -209.31117 5.07531 1.99904 -209.45799 423.64886
6575.0000 -214.20097 -208.68971 5.51126 2.03994 -208.67364 473.32119
6580.0000 -214.47464 -209.16392 5.31073 2.00932 -209.26090 446.16067
6585.0000 -213.67098 -208.37523 5.29575 2.04425 -208.59088 473.51857
6590.0000 -212.92988 -207.66101 5.26887 2.07627 -207.97676 501.56000
6595.0000 -212.72528 -207.96103 4.76425 2.08194 -207.86805 494.56592
6600.0000 -213.55295 -208.34891 5.20404 2.05547 -208.37567 482.88087
6605.0000 -214.32670 -209.32819 4.99851 2.06035 -208.28205 494.78142
6610.0000 -213.85637 -209.23752 4.61885 2.01352 -209.18024 469.52580
6615.0000 -213.94286 -209.18725 4.75560 2.02889 -208.88543 472.69115
6620.0000 -213.33626 -207.75606 5.58020 2.04322 -208.61067 470.70000
6625.0000 -213.11560 -208.27539 4.84021 2.07009 -208.09532 495.14132
6630.0000 -214.04607 -209.13957 4.90650 2.03806 -208.70968 470.24851
6635.0000 -214.38938 -209.45079 4.93859 2.03357 -208.79575 470.49130
6640.0000 -214.48589 -208.61583 5.87006 2.01745 -209.10493 459.75157
6645.0000 -213.56952 -208.59770 4.97181 2.04710 -208.53627 489.86624
6650.0000 -214.08198 -209.25440 4.82758 2.01286 -209.19287 459.87164
6655.0000 -212.95895 -209.06776 3.89119 2.00875 -209.27184 452.91068
6660.0000 -213.42405 -208.60590 4.81816 2.04061 -208.66066 472.11708
6665.0000 -213.69181 -208.17453 5.51728 2.08780 -207.75565 502.98199
6670.0000 -214.31333 -209.41922 4.89410 2.04278 -208.61908 479.01771
6675.0000 -213.49487 -208.59600 4.89887 2.01299 -209.19050 452.53689
6680.0000 -214.55717 -209.80281 4.75436 2.00422 -209.35878 447.44663
6685.0000 -213.46533 -208.53009 4.93525 1.99025 -209.62664 434.03670
6690.0000 -213.52270 -208.06425 5.45845 2.07423 -208.01586 486.49705
6695.0000 -213.44869 -209.27312 4.17558 2.02074 -209.04175 437.83342
6700.0000 -213.42060 -207.90241 5.51819 2.03420 -208.78358 453.39923
6705.0000 -213.64310 -208.00015 5.64295 2.06948 -208.10696 493.25457
6710.0000 -214.30031 -209.01462 5.28570 2.03255 -208.81540 471.17865
6715.0000 -213.96662 -209.64282 4.32380 2.00938 -209.25973 452.91411
6720.0000 -213.41814 -208.00600 5.41214 2.03291 -208.80838 467.78557
6725.0000 -214.65447 -209.18212 5.47235 2.03399 -208.78776 474.95095
6730.0000 -214.22242 -208.90470 5.31773 2.01739 -209.10606 475.84933
6735.0000 -214.67518 -209.44364 5.23153 2.01179 -209.21341 473.49974
6740.0000 -215.09647 -210.44973 4.64674 1.97106 -209.99477 452.72455
6745.0000 -214.59454 -209.96150 4.63304 1.96859 -210.04209 440.11371
6750.0000 -214.82145 -210.12947 4.69197 1.98396 -209.74722 450.67159
FREEZING PROCESS: loop number 28 T-loop= 438.00000000000000
main_MD> interactions number 28 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28163 0.08029 0.00512
force_rgl> df(natom) -1.61930 -1.97083 1.09147
6755.0000 -214.54166 -209.75429 4.78736 1.94963 -210.40569 419.93850
6760.0000 -214.77491 -209.04310 5.73181 1.99622 -209.51209 459.91040
6765.0000 -214.15835 -209.29336 4.86500 2.01012 -209.24543 472.14687
6770.0000 -214.48178 -210.06537 4.41641 1.97732 -209.87454 437.90771
6775.0000 -214.08900 -209.19961 4.88939 1.99907 -209.45746 453.59365
6780.0000 -214.47070 -209.95938 4.51132 1.98878 -209.65475 460.64180
6785.0000 -216.39515 -211.86968 4.52546 1.93910 -210.60777 429.87734
6790.0000 -215.95222 -212.09063 3.86160 1.86849 -211.96207 378.23219
6795.0000 -216.30706 -211.28993 5.01713 1.88876 -211.57314 391.75476
6800.0000 -215.02460 -210.48525 4.53935 1.91346 -211.09946 397.08420
6805.0000 -214.74169 -210.32571 4.41598 1.95517 -210.29953 425.68606
6810.0000 -214.84035 -210.00162 4.83873 1.94902 -210.41734 417.83771
6815.0000 -214.89527 -210.39880 4.49647 1.94411 -210.51163 413.18573
6820.0000 -214.71083 -209.89472 4.81611 1.97863 -209.84943 438.93425
6825.0000 -213.97532 -209.79820 4.17712 1.95144 -210.37111 421.92597
6830.0000 -213.77046 -209.36785 4.40260 1.99220 -209.58925 445.85386
6835.0000 -213.92591 -209.26560 4.66030 2.01159 -209.21729 448.46697
6840.0000 -213.84741 -208.90420 4.94321 2.01897 -209.07580 465.80090
6845.0000 -215.11392 -210.30987 4.80405 2.01159 -209.21724 458.13028
6850.0000 -215.02280 -209.93371 5.08909 1.95726 -210.25944 420.87136
6855.0000 -214.85199 -210.42098 4.43101 1.95497 -210.30332 425.90222
6860.0000 -215.27459 -210.29511 4.97948 1.94950 -210.40827 417.19221
6865.0000 -215.51916 -210.69184 4.82732 1.93870 -210.61531 411.91289
6870.0000 -214.57241 -210.16263 4.40978 1.94389 -210.51573 413.82161
6875.0000 -215.06747 -209.59420 5.47327 1.96796 -210.05411 443.25821
6880.0000 -214.63141 -210.12856 4.50285 1.98978 -209.63556 450.86620
6885.0000 -213.73697 -209.23006 4.50691 1.99627 -209.51124 455.64502
6890.0000 -214.88916 -209.66106 5.22810 1.99514 -209.53282 455.66301
6895.0000 -214.86764 -210.12761 4.74002 1.98990 -209.63338 446.46680
6900.0000 -214.96805 -210.29587 4.67218 1.96357 -210.13842 428.71414
6905.0000 -214.96185 -210.61239 4.34946 1.95370 -210.32776 433.08181
6910.0000 -214.76769 -210.28271 4.48498 1.93038 -210.77488 417.23808
6915.0000 -214.97335 -210.18558 4.78777 1.96969 -210.02090 454.04352
6920.0000 -214.97863 -209.95720 5.02143 1.97739 -209.87323 458.49666
6925.0000 -215.89707 -211.15408 4.74299 1.96970 -210.02086 450.08774
6930.0000 -213.92686 -209.58310 4.34376 1.95450 -210.31241 434.01470
6935.0000 -215.51385 -210.53810 4.97575 1.97794 -209.86277 442.19183
6940.0000 -214.80949 -209.82113 4.98836 1.95658 -210.27250 446.96944
6945.0000 -215.55853 -210.83019 4.72833 1.94048 -210.58122 433.38851
6950.0000 -215.12844 -210.64835 4.48009 1.91691 -211.03334 411.43460
6955.0000 -214.96643 -210.35703 4.60940 1.95074 -210.38451 439.79305
6960.0000 -215.12995 -210.81077 4.31918 1.93312 -210.72244 429.45390
6965.0000 -215.39111 -211.24031 4.15080 1.92550 -210.86850 417.86523
6970.0000 -214.27163 -209.85262 4.41901 1.94982 -210.40215 437.72263
6975.0000 -215.20386 -210.56856 4.63530 1.94519 -210.49085 434.45227
6980.0000 -214.68292 -209.94417 4.73875 1.95782 -210.24865 443.58509
6985.0000 -215.71289 -210.68361 5.02928 1.96349 -210.13981 451.25211
6990.0000 -215.58170 -210.97064 4.61106 1.89810 -211.39401 392.02793
6995.0000 -215.16649 -210.69557 4.47092 1.92960 -210.78983 423.29462
7000.0000 -215.27178 -211.22427 4.04751 1.93288 -210.72706 418.43837
FREEZING PROCESS: loop number 29 T-loop= 413.00000000000000
main_MD> interactions number 29 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.31608 0.31346 -1.05366
force_rgl> df(natom) 0.38559 -0.61641 -2.16995
7005.0000 -214.78628 -210.19798 4.58830 1.94235 -210.54532 423.13005
7010.0000 -215.02168 -210.38630 4.63538 1.94740 -210.44851 434.35013
7015.0000 -215.55132 -210.25042 5.30091 1.93758 -210.63680 422.70054
7020.0000 -215.49370 -210.63927 4.85443 1.92382 -210.90085 410.39425
7025.0000 -215.86484 -211.31683 4.54801 1.91224 -211.12285 404.27606
7030.0000 -215.01875 -209.90746 5.11130 1.94421 -210.50964 425.65282
7035.0000 -214.86352 -210.35875 4.50477 1.95911 -210.22383 433.99118
7040.0000 -215.74710 -211.50033 4.24677 1.90947 -211.17598 400.45249
7045.0000 -216.01558 -211.26118 4.75440 1.88625 -211.62140 382.21836
7050.0000 -215.70675 -211.29624 4.41050 1.90888 -211.18723 400.78708
7055.0000 -215.27107 -210.14828 5.12279 1.93542 -210.67826 417.88018
7060.0000 -215.06069 -209.75576 5.30492 1.96063 -210.19480 443.25015
7065.0000 -215.56017 -210.47326 5.08691 1.95829 -210.23967 440.18680
7070.0000 -214.62102 -209.26977 5.35125 1.97471 -209.92460 450.61153
7075.0000 -213.85342 -209.87525 3.97818 1.99252 -209.58300 460.33235
7080.0000 -214.89118 -210.12861 4.76258 1.93997 -210.59103 427.17169
7085.0000 -215.60295 -210.80633 4.79662 1.93897 -210.61011 425.59561
7090.0000 -214.75021 -210.15699 4.59322 1.95849 -210.23575 447.45561
7095.0000 -215.26532 -210.49940 4.76592 1.96761 -210.06094 441.57871
7100.0000 -216.18385 -211.64494 4.53891 1.91759 -211.02034 403.48721
7105.0000 -216.03142 -211.47885 4.55257 1.85586 -212.20435 356.66014
7110.0000 -215.40855 -210.35653 5.05202 1.92807 -210.81918 400.64013
7115.0000 -215.27644 -210.86570 4.41074 1.92510 -210.87626 412.46604
7120.0000 -215.41235 -211.27045 4.14190 1.92864 -210.80830 412.37981
7125.0000 -215.41071 -211.45472 3.95599 1.90144 -211.32996 395.71662
7130.0000 -215.27849 -210.91861 4.35988 1.91020 -211.16194 396.89439
7135.0000 -214.79525 -210.84176 3.95349 1.92448 -210.88809 402.02049
7140.0000 -215.13424 -210.78126 4.35298 1.93563 -210.67421 415.29197
7145.0000 -215.26926 -210.81693 4.45233 1.91240 -211.11978 399.32645
7150.0000 -214.96585 -209.79821 5.16764 1.92071 -210.96034 407.18678
7155.0000 -215.27813 -210.36904 4.90909 1.94719 -210.45245 427.50375
7160.0000 -215.79796 -211.73480 4.06316 1.92020 -210.97026 404.51123
7165.0000 -215.26208 -211.34879 3.91329 1.86805 -211.97038 365.32905
7170.0000 -215.42505 -210.82097 4.60409 1.89301 -211.49174 378.17410
7175.0000 -214.95354 -210.79595 4.15760 1.91568 -211.05683 396.80204
7180.0000 -214.73455 -210.51840 4.21614 1.94096 -210.57211 418.92279
7185.0000 -214.63308 -209.93290 4.70018 1.95518 -210.29930 428.54736
7190.0000 -215.07623 -210.70875 4.36749 1.94557 -210.48366 411.84625
7195.0000 -214.98730 -210.82281 4.16449 1.92088 -210.95720 395.54116
7200.0000 -214.39358 -209.52847 4.86511 1.96276 -210.15396 419.84346
7205.0000 -213.89355 -209.20374 4.68980 1.99375 -209.55954 426.18090
7210.0000 -215.19103 -209.60875 5.58228 2.01549 -209.14255 454.39926
7215.0000 -214.49019 -209.58295 4.90724 1.98995 -209.63235 451.44134
7220.0000 -214.73046 -210.34697 4.38349 1.95706 -210.26314 429.52386
7225.0000 -215.60707 -210.79423 4.81283 1.94143 -210.56307 421.06524
7230.0000 -214.28399 -209.55677 4.72723 1.95860 -210.23363 425.14715
7235.0000 -214.94512 -210.81722 4.12790 1.96266 -210.15574 432.49402
7240.0000 -215.28312 -210.41955 4.86357 1.96125 -210.18285 424.07518
7245.0000 -214.85886 -210.01326 4.84561 1.97879 -209.84641 439.24455
7250.0000 -214.76496 -210.94404 3.82093 1.95466 -210.30933 426.11235
FREEZING PROCESS: loop number 30 T-loop= 388.00000000000000
main_MD> interactions number 30 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39888 -1.18022 1.69972
force_rgl> df(natom) -1.44171 -0.92367 -1.64434
7255.0000 -215.63051 -211.62007 4.01045 1.90228 -211.31385 394.43456
7260.0000 -214.88183 -210.93200 3.94983 1.90967 -211.17213 396.29149
7265.0000 -214.83929 -211.13356 3.70573 1.92774 -210.82561 401.62310
7270.0000 -215.39086 -211.23108 4.15978 1.90462 -211.26899 379.57538
7275.0000 -215.54346 -211.43583 4.10764 1.90747 -211.21438 392.10137
7280.0000 -215.65843 -211.06605 4.59238 1.89931 -211.37086 388.54055
7285.0000 -215.42133 -211.86374 3.55758 1.91035 -211.15917 399.80045
7290.0000 -216.42759 -212.38091 4.04668 1.86680 -211.99442 363.27646
7295.0000 -215.99406 -211.98217 4.01189 1.87906 -211.75920 377.36261
7300.0000 -215.26790 -210.45712 4.81078 1.90022 -211.35352 389.50521
7305.0000 -214.43053 -210.84369 3.58684 1.92347 -210.90753 408.83037
7310.0000 -215.56390 -211.20488 4.35902 1.92551 -210.86840 405.11340
7315.0000 -215.77400 -211.42637 4.34763 1.87888 -211.76282 372.08550
7320.0000 -216.27711 -212.03131 4.24579 1.86960 -211.94065 370.51733
7325.0000 -215.60805 -211.64196 3.96609 1.88051 -211.73152 377.87762
7330.0000 -215.58295 -211.56359 4.01936 1.90395 -211.28194 392.29355
7335.0000 -215.10832 -210.87525 4.23306 1.90398 -211.28136 391.07596
7340.0000 -216.03165 -211.36093 4.67072 1.89220 -211.50730 383.46675
7345.0000 -215.02676 -210.34298 4.68378 1.91990 -210.97604 406.25101
7350.0000 -215.29415 -210.93315 4.36100 1.95704 -210.26370 435.88789
7355.0000 -216.14257 -211.43095 4.71162 1.90462 -211.26910 393.42667
7360.0000 -215.80930 -211.63372 4.17558 1.89996 -211.35846 389.21208
7365.0000 -215.41615 -210.67682 4.73934 1.90485 -211.26470 393.52146
7370.0000 -215.17192 -210.78178 4.39014 1.92142 -210.94689 397.23967
7375.0000 -215.38016 -210.74145 4.63871 1.92500 -210.87819 400.10836
7380.0000 -216.11054 -211.74850 4.36205 1.92892 -210.80296 403.16317
7385.0000 -215.72193 -212.07261 3.64932 1.87594 -211.81906 361.93726
7390.0000 -215.55416 -211.48517 4.06899 1.88006 -211.74017 369.89641
7395.0000 -215.59933 -211.30802 4.29131 1.90180 -211.32303 383.32882
7400.0000 -215.50342 -211.31390 4.18952 1.89321 -211.48790 378.26807
7405.0000 -214.90962 -211.06105 3.84857 1.90722 -211.21912 385.85870
7410.0000 -215.32184 -211.19949 4.12235 1.91226 -211.12256 380.36549
7415.0000 -215.69945 -211.48763 4.21182 1.90138 -211.33114 378.38073
7420.0000 -215.75216 -211.18592 4.56625 1.88088 -211.72432 360.06188
7425.0000 -215.47030 -210.55952 4.91079 1.91796 -211.01311 392.73043
7430.0000 -214.88605 -211.08076 3.80528 1.93850 -210.61920 400.08005
7435.0000 -215.25193 -211.64195 3.60998 1.89947 -211.36774 366.23911
7440.0000 -215.62241 -210.76057 4.86185 1.92362 -210.90455 401.01111
7445.0000 -216.07906 -211.55216 4.52690 1.91369 -211.09506 403.17853
7450.0000 -215.07324 -210.76046 4.31278 1.91393 -211.09052 398.28566
7455.0000 -215.64859 -210.46523 5.18335 1.93717 -210.64481 417.12019
7460.0000 -215.01701 -211.24076 3.77624 1.92830 -210.81488 406.83812
7465.0000 -215.44658 -210.57463 4.87194 1.91846 -211.00361 400.85386
7470.0000 -215.22682 -211.66399 3.56283 1.91497 -211.07048 399.23347
7475.0000 -215.68645 -211.48284 4.20361 1.90139 -211.33096 386.99081
7480.0000 -215.75321 -211.62243 4.13078 1.89510 -211.45165 383.05841
7485.0000 -215.65693 -211.53885 4.11808 1.87672 -211.80425 368.79243
7490.0000 -215.65859 -212.05004 3.60855 1.88422 -211.66030 376.27244
7495.0000 -216.26399 -212.12484 4.13916 1.85887 -212.14661 354.54221
7500.0000 -215.65961 -211.99853 3.66108 1.85952 -212.13415 359.36110
FREEZING PROCESS: loop number 31 T-loop= 363.00000000000000
main_MD> interactions number 31 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40123 0.34736 -0.99499
force_rgl> df(natom) 0.66993 -0.92584 1.47938
7505.0000 -216.20581 -212.15774 4.04807 1.85550 -212.21113 350.03598
7510.0000 -215.67606 -211.67704 3.99902 1.86742 -211.98254 363.98367
7515.0000 -215.53172 -211.33367 4.19805 1.91363 -211.09615 397.78729
7520.0000 -216.33816 -211.93010 4.40806 1.89815 -211.39305 381.18092
7525.0000 -216.42600 -212.51428 3.91172 1.84772 -212.36032 340.05452
7530.0000 -216.06588 -212.34218 3.72370 1.85137 -212.29042 341.53080
7535.0000 -216.23448 -212.36129 3.87319 1.84483 -212.41574 340.97523
7540.0000 -216.43675 -211.89724 4.53951 1.84744 -212.36580 347.61486
7545.0000 -215.66258 -211.99491 3.66768 1.85951 -212.13427 357.36541
7550.0000 -215.99898 -212.21098 3.78800 1.86667 -211.99682 359.59729
7555.0000 -215.90866 -212.05630 3.85237 1.87601 -211.81778 367.86587
7560.0000 -216.04517 -212.26396 3.78121 1.84458 -212.42063 338.44650
7565.0000 -216.08627 -212.48034 3.60594 1.85527 -212.21554 350.40616
7570.0000 -216.05673 -212.39194 3.66479 1.86497 -212.02959 356.53812
7575.0000 -216.07166 -212.89380 3.17786 1.82624 -212.77239 327.92511
7580.0000 -216.40829 -212.67644 3.73184 1.83180 -212.66569 332.34938
7585.0000 -216.29844 -213.11363 3.18481 1.81596 -212.96959 321.81270
7590.0000 -215.75522 -211.69416 4.06106 1.84322 -212.44672 344.11695
7595.0000 -216.48555 -212.74991 3.73564 1.84693 -212.37560 343.80383
7600.0000 -216.20952 -212.51134 3.69817 1.82456 -212.80454 326.90289
7605.0000 -215.58949 -211.20737 4.38213 1.87443 -211.84811 367.61135
7610.0000 -215.64561 -211.73879 3.90682 1.90790 -211.20609 391.76586
7615.0000 -215.65217 -211.33745 4.31472 1.90135 -211.33179 390.06209
7620.0000 -215.43517 -211.59081 3.84435 1.87860 -211.76814 371.30884
7625.0000 -215.77770 -211.55882 4.21888 1.87543 -211.82884 362.43781
7630.0000 -214.94332 -211.31569 3.62763 1.88023 -211.73680 365.73657
7635.0000 -215.66377 -211.58570 4.07807 1.88102 -211.72163 367.61016
7640.0000 -215.47939 -212.21521 3.26419 1.86221 -212.08255 353.19732
7645.0000 -216.16769 -212.08960 4.07809 1.86668 -211.99669 360.77959
7650.0000 -215.96366 -211.72056 4.24310 1.86665 -211.99726 358.12381
7655.0000 -215.45593 -211.33603 4.11989 1.89006 -211.54838 380.39523
7660.0000 -215.76615 -211.68012 4.08603 1.88221 -211.69888 369.59471
7665.0000 -216.37489 -212.11624 4.25865 1.86234 -212.07999 357.54409
7670.0000 -216.08694 -212.09336 3.99358 1.86864 -211.95923 362.34391
7675.0000 -215.84591 -212.06100 3.78492 1.87112 -211.91164 363.12337
7680.0000 -215.94892 -211.49925 4.44967 1.87558 -211.82595 366.94390
7685.0000 -216.19826 -212.18684 4.01142 1.87351 -211.86581 360.27956
7690.0000 -215.88882 -212.17554 3.71328 1.85395 -212.24082 351.20967
7695.0000 -215.88835 -212.06767 3.82068 1.86810 -211.96946 364.31947
7700.0000 -216.11760 -212.24423 3.87338 1.85177 -212.28276 351.85792
7705.0000 -216.08916 -211.84613 4.24303 1.87331 -211.86956 362.08620
7710.0000 -215.79560 -211.38935 4.40625 1.87943 -211.75212 367.95593
7715.0000 -215.72201 -212.29059 3.43141 1.87184 -211.89779 364.07061
7720.0000 -215.87644 -212.29695 3.57949 1.86226 -212.08146 356.87872
7725.0000 -215.46065 -211.73937 3.72128 1.86735 -211.98395 366.06454
7730.0000 -215.93994 -211.57945 4.36049 1.90457 -211.26992 392.65807
7735.0000 -215.29952 -211.36656 3.93296 1.91403 -211.08853 390.36128
7740.0000 -216.42836 -212.32610 4.10225 1.87885 -211.76334 362.21826
7745.0000 -215.82542 -211.94582 3.87959 1.84410 -212.42974 346.29189
7750.0000 -215.27164 -211.42907 3.84257 1.89129 -211.52463 380.48960
FREEZING PROCESS: loop number 32 T-loop= 338.00000000000000
main_MD> interactions number 32 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.52444 2.18019 -1.05861
force_rgl> df(natom) -0.18709 2.59598 -1.50701
7755.0000 -216.62315 -212.87282 3.75033 1.85764 -212.17011 360.30804
7760.0000 -216.27716 -212.87146 3.40570 1.84034 -212.50189 340.70304
7765.0000 -217.02374 -213.50256 3.52118 1.81264 -213.03314 320.27185
7770.0000 -216.05931 -212.43911 3.62021 1.80007 -213.27440 307.53165
7775.0000 -216.50010 -213.07814 3.42196 1.80136 -213.24960 310.40213
7780.0000 -216.39781 -212.39884 3.99898 1.83053 -212.69004 331.82429
7785.0000 -216.11524 -211.93733 4.17791 1.84715 -212.37130 343.67912
7790.0000 -216.01053 -212.61985 3.39068 1.85398 -212.24041 355.36787
7795.0000 -216.04774 -211.96811 4.07963 1.84956 -212.32504 350.84840
7800.0000 -215.76578 -211.69880 4.06697 1.89552 -211.44356 394.77553
7805.0000 -216.26765 -212.26233 4.00532 1.85858 -212.15210 358.25007
7810.0000 -215.50983 -211.45256 4.05727 1.87041 -211.92524 366.83378
7815.0000 -216.73661 -212.88979 3.84683 1.86521 -212.02488 361.90702
7820.0000 -216.14928 -211.99686 4.15242 1.84029 -212.50287 340.06444
7825.0000 -215.78101 -212.17198 3.60903 1.85674 -212.18731 353.61956
7830.0000 -216.43936 -212.67637 3.76299 1.84994 -212.31774 343.47364
7835.0000 -216.71379 -213.02466 3.68912 1.83505 -212.60333 334.92859
7840.0000 -216.19699 -212.55093 3.64607 1.83771 -212.55234 335.09233
7845.0000 -216.28391 -212.81198 3.47194 1.83197 -212.66251 334.01423
7850.0000 -216.62609 -213.37312 3.25297 1.81468 -212.99412 320.90517
7855.0000 -216.11972 -212.30829 3.81144 1.82978 -212.70441 333.91451
7860.0000 -215.81751 -212.53057 3.28694 1.84003 -212.50796 342.97561
7865.0000 -216.20038 -212.77537 3.42501 1.83355 -212.63225 333.86166
7870.0000 -215.88508 -212.04829 3.83679 1.83362 -212.63080 333.51104
7875.0000 -215.83487 -212.22587 3.60900 1.86671 -211.99618 360.71768
7880.0000 -216.70594 -212.85351 3.85243 1.85002 -212.31625 345.27006
7885.0000 -216.38648 -212.68273 3.70374 1.84014 -212.50585 340.59605
7890.0000 -215.86363 -212.90713 2.95650 1.81243 -213.03721 318.16584
7895.0000 -216.19960 -213.15024 3.04936 1.80223 -213.23296 304.41795
7900.0000 -216.03085 -212.48581 3.54503 1.83305 -212.64179 328.32782
7905.0000 -215.63421 -212.03509 3.59912 1.86659 -211.99854 351.22497
7910.0000 -215.47738 -212.03989 3.43749 1.84403 -212.43112 329.77478
7915.0000 -215.83492 -211.82240 4.01252 1.86221 -212.08239 348.11320
7920.0000 -215.68248 -212.42923 3.25325 1.85789 -212.16533 342.24445
7925.0000 -215.80612 -212.53348 3.27264 1.84905 -212.33487 340.55868
7930.0000 -216.39156 -212.37687 4.01469 1.83548 -212.59524 334.86842
7935.0000 -216.45607 -213.21775 3.23833 1.82843 -212.73046 329.69438
7940.0000 -216.14038 -212.57002 3.57037 1.84206 -212.46892 341.86201
7945.0000 -215.35203 -211.70577 3.64626 1.86808 -211.96981 360.02304
7950.0000 -216.13007 -212.48664 3.64343 1.85460 -212.22847 354.13115
7955.0000 -216.07689 -212.40211 3.67478 1.84432 -212.42556 343.33402
7960.0000 -216.14689 -212.47134 3.67556 1.84089 -212.49132 341.82731
7965.0000 -216.40660 -212.50128 3.90532 1.83498 -212.60477 337.42420
7970.0000 -216.55924 -212.90721 3.65203 1.80342 -213.21008 312.81915
7975.0000 -217.01185 -213.81240 3.19945 1.80430 -213.19320 310.37077
7980.0000 -216.92213 -213.64882 3.27331 1.77687 -213.71923 289.10037
7985.0000 -216.50737 -213.27044 3.23693 1.79279 -213.41398 302.57089
7990.0000 -216.53838 -213.31733 3.22105 1.81208 -213.04388 317.90390
7995.0000 -216.20529 -212.99745 3.20784 1.82001 -212.89181 318.72459
8000.0000 -216.29533 -212.55383 3.74150 1.80753 -213.13131 309.99440
FREEZING PROCESS: loop number 33 T-loop= 313.00000000000000
main_MD> interactions number 33 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.43627 -0.08809 0.86328
force_rgl> df(natom) 2.88657 1.14398 -0.38283
8005.0000 -216.44424 -213.11558 3.32866 1.82452 -212.80541 322.92617
8010.0000 -216.53537 -213.01969 3.51568 1.81525 -212.98316 313.80229
8015.0000 -216.62877 -213.30080 3.32797 1.79899 -213.29511 299.01722
8020.0000 -216.74092 -213.35966 3.38127 1.80525 -213.17501 306.52762
8025.0000 -216.75330 -213.71515 3.03815 1.79315 -213.40710 298.00142
8030.0000 -216.71985 -213.15076 3.56909 1.81106 -213.06362 313.16314
8035.0000 -216.57143 -213.20676 3.36467 1.81028 -213.07856 318.28768
8040.0000 -216.30874 -213.16449 3.14425 1.79658 -213.34117 306.73910
8045.0000 -216.16047 -212.62923 3.53124 1.83210 -212.65997 332.53283
8050.0000 -215.90404 -212.68812 3.21592 1.83319 -212.63907 333.49756
8055.0000 -216.50731 -213.12530 3.38201 1.80815 -213.11932 315.37250
8060.0000 -216.39400 -212.87924 3.51476 1.81947 -212.90213 327.10535
8065.0000 -216.78192 -213.52466 3.25726 1.80015 -213.27276 310.01069
8070.0000 -216.14469 -212.68138 3.46331 1.81233 -213.03912 317.61206
8075.0000 -215.68911 -212.03159 3.65752 1.83754 -212.55561 338.56413
8080.0000 -216.44595 -212.56726 3.87870 1.83998 -212.50881 342.45301
8085.0000 -216.42947 -213.27460 3.15487 1.81039 -213.07636 317.37897
8090.0000 -217.00687 -213.83456 3.17231 1.79899 -213.29499 307.62005
8095.0000 -216.48614 -213.23384 3.25230 1.77663 -213.72390 288.19178
8100.0000 -216.73117 -213.61193 3.11924 1.78901 -213.48641 299.45597
8105.0000 -217.13750 -214.35174 2.78576 1.77592 -213.73761 288.55700
8110.0000 -217.13079 -213.96791 3.16288 1.77164 -213.81964 283.19953
8115.0000 -216.30401 -213.03706 3.26695 1.78515 -213.56051 295.01390
8120.0000 -216.18645 -212.75519 3.43126 1.81731 -212.94370 322.60388
8125.0000 -216.23839 -212.73984 3.49854 1.82495 -212.79711 324.16169
8130.0000 -216.25394 -212.63550 3.61844 1.80873 -213.10831 315.24446
8135.0000 -216.97473 -213.88944 3.08529 1.80215 -213.23445 310.85437
8140.0000 -216.28234 -212.58967 3.69266 1.80776 -213.12680 317.47751
8145.0000 -216.09974 -212.82649 3.27325 1.82594 -212.77807 329.40811
8150.0000 -216.60384 -212.50461 4.09922 1.83124 -212.67641 333.18709
8155.0000 -216.45799 -212.85057 3.60742 1.83091 -212.68288 335.42906
8160.0000 -216.07519 -212.73508 3.34010 1.81517 -212.98464 320.98381
8165.0000 -216.46959 -213.22727 3.24232 1.80066 -213.26293 308.77633
8170.0000 -216.15316 -212.36497 3.78819 1.83366 -212.63000 337.91988
8175.0000 -216.46314 -213.15717 3.30597 1.80994 -213.08500 316.14667
8180.0000 -216.24092 -213.15375 3.08716 1.80658 -213.14940 312.51926
8185.0000 -216.47101 -213.08206 3.38895 1.81202 -213.04521 319.90992
8190.0000 -216.83570 -213.51721 3.31849 1.79965 -213.28236 304.32795
8195.0000 -216.47799 -212.81843 3.65955 1.80252 -213.22736 294.79822
8200.0000 -215.93196 -211.94543 3.98653 1.83156 -212.67032 328.24427
8205.0000 -216.14579 -212.82748 3.31831 1.84466 -212.41911 344.92824
8210.0000 -216.56881 -213.50310 3.06571 1.80418 -213.19549 315.12123
8215.0000 -216.47074 -213.14905 3.32169 1.78562 -213.55151 296.47302
8220.0000 -216.50712 -213.28156 3.22556 1.80280 -213.22203 309.26807
8225.0000 -215.84913 -212.54894 3.30019 1.81783 -212.93371 324.73968
8230.0000 -216.17129 -212.36871 3.80258 1.85040 -212.30894 346.51287
8235.0000 -216.56623 -213.05236 3.51387 1.81605 -212.96774 318.46281
8240.0000 -216.20284 -212.16209 4.04076 1.82972 -212.70563 332.67899
8245.0000 -215.52947 -212.31274 3.21674 1.85544 -212.21239 354.50696
8250.0000 -216.59283 -212.72093 3.87190 1.82524 -212.79146 328.37785
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 41.7825008 [s].
main_MD> Deallocating global variables
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