projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
New microcanonical examples.
[unres.git] / examples / unres / new / microcanonical / VTS / ff_1l2y / 1L2Y_micro_007.rst
diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_007.rst b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_007.rst
index 1bed7bd..4c0b3da 100644 (file)
--- a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_007.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_007.rst
@@ -1,90 +1,90 @@
-   99992.3221937153        33.1136000574469       -18.4592996404460     
-   14.6543004170009        300.000000000000     
+   17794.0521285247        2246.17039364634        1493.45958922398     
+   3739.62998287033        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.46792E+00    0.31067E+00    0.57361E+00
-    0.29126E+00   -0.20479E+00   -0.22531E+00
-   -0.19190E+00   -0.52258E-01   -0.44377E-01
-    0.19566E+00    0.58224E-01    0.17184E+00
-   -0.22085E-01   -0.34069E-01   -0.26661E+00
-   -0.27147E+00    0.10195E+00    0.11313E+00
-    0.32156E+00    0.34400E-01    0.11749E+00
-   -0.96056E-01   -0.56317E-01   -0.71141E-01
-    0.36016E-01   -0.78301E-01    0.11506E+00
-   -0.12071E+00   -0.11096E-01   -0.53841E-01
-    0.29037E+00    0.19979E+00    0.32912E-01
-   -0.64227E-01   -0.22765E+00   -0.25176E+00
-   -0.12532E+00    0.22450E+00    0.93997E-01
-   -0.85024E-01   -0.27862E+00    0.35859E+00
-    0.16788E+00    0.13145E+00   -0.33693E+00
-   -0.10266E+00    0.91856E-01    0.85662E-01
-   -0.23479E-01   -0.39483E+00   -0.18523E+00
-    0.59749E-01    0.31970E+00    0.34974E+00
-   -0.90996E-01    0.13175E+00   -0.24716E+00
+    0.26564E+01   -0.12588E+01   -0.19182E+01
+    0.86041E+00    0.67508E+00    0.18159E+00
+   -0.15125E+01   -0.52201E+00    0.18336E+00
+    0.55136E+00   -0.15910E-01    0.20709E-01
+    0.54066E+00    0.14362E+01    0.30884E+01
+   -0.75707E+00   -0.14507E+01   -0.15429E+01
+    0.40111E+00    0.19051E+00   -0.11695E+01
+   -0.26787E+00    0.21815E+00   -0.37849E+00
+    0.41765E-01   -0.15864E+01    0.11936E+01
+    0.33223E+00    0.20820E+01   -0.23807E+01
+    0.16888E+01   -0.17761E-01    0.22870E+01
+   -0.62945E+00   -0.95876E+00   -0.97218E+00
+   -0.17665E+01    0.93981E+00    0.19969E+01
+    0.15213E+01   -0.91184E-01   -0.10387E+01
+   -0.27694E+01    0.11879E+01    0.80177E+00
+    0.21482E+01   -0.21690E+01   -0.24650E+01
+   -0.56808E+00    0.17210E+01    0.18622E+01
+    0.25362E+00   -0.75393E+00   -0.47096E+00
+    0.21288E+01   -0.44022E+00    0.10254E+01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.14635E+00    0.18416E+00    0.42287E+00
-    0.75079E-01   -0.43236E-01   -0.32906E-01
-   -0.31608E-01   -0.64467E-01   -0.69857E-01
-    0.61472E-01    0.39750E-01    0.76406E-01
-   -0.10557E+00   -0.69786E-01   -0.12957E+00
-    0.45712E-01   -0.69603E-01    0.15323E+00
-    0.15884E+00   -0.20333E-01   -0.22604E-01
-   -0.53053E-01   -0.16395E-01   -0.97423E-01
-   -0.67194E-01   -0.14745E+00   -0.11611E+00
+    0.29358E+01   -0.12607E+01    0.59545E+00
+    0.65704E+00    0.10128E+01    0.77516E+00
+   -0.52310E+00   -0.83808E+00    0.90986E+00
+    0.28526E+00    0.27832E+00    0.13450E+01
+    0.14848E+01    0.17859E+01    0.35533E+00
+   -0.20607E-01   -0.66048E+00   -0.27024E+01
+    0.76643E-01   -0.19878E+00   -0.16708E+00
+   -0.10887E+01    0.17179E+01   -0.49240E-01
+   -0.52857E+00    0.21624E+00    0.33155E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.16375E+00   -0.13119E+00   -0.43297E-01
-   -0.20653E-01    0.57501E-01    0.14534E+00
-   -0.89020E-01   -0.31878E+00    0.56884E-01
+   -0.14082E+01   -0.75475E+00    0.10778E+01
+   -0.39350E+00    0.19871E+00    0.41163E+00
+   -0.57837E+00    0.10801E+00   -0.17376E+01
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.13129E+00   -0.10737E+00    0.26787E-01
-    0.10030E-01   -0.20787E+00   -0.86567E-01
-    0.40814E-02    0.12506E+00    0.55531E-01
-    0.10864E+00   -0.12964E+00   -0.22595E+00
-    0.25103E-01   -0.16510E+00    0.19860E+00
+    0.10987E+01   -0.91910E+00   -0.38932E+00
+   -0.85500E+00    0.72673E+00    0.14001E+01
+    0.37014E+00   -0.66917E+00   -0.35618E+00
+   -0.42083E-01   -0.27056E+00    0.74958E+00
+   -0.10575E+01    0.10918E+01   -0.34265E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.38000E+01    0.00000E+00    0.00000E+00
-   -0.12620E+01   -0.30275E+01   -0.21260E+01
-    0.28774E+01    0.24288E+00   -0.23629E+01
-   -0.31450E-01   -0.27856E+01   -0.23144E+01
-    0.19945E+01    0.18538E+01   -0.27839E+01
-   -0.96595E+00   -0.25978E+01   -0.26749E+01
-   -0.36381E+01    0.41835E+00    0.87203E+00
-   -0.11672E+01   -0.14098E+01   -0.32577E+01
-   -0.25598E+01   -0.13950E+01    0.23809E+01
-    0.26545E+01   -0.13379E+01    0.24946E+01
-    0.16453E+01   -0.17944E+01   -0.33601E+01
-   -0.30751E+01   -0.20909E+01   -0.69532E+00
-   -0.22517E+01    0.52493E+00    0.29926E+01
-   -0.56791E+00   -0.35197E+01    0.12712E+01
-   -0.97607E+00    0.40822E+00    0.36870E+01
-    0.32251E+01    0.25808E+00    0.18517E+01
-    0.26880E+01    0.24750E+01   -0.13353E+01
-    0.13699E+01   -0.19124E+01   -0.30678E+01
-    0.36981E+01    0.75773E+00    0.56503E-01
-    0.15016E+01    0.26787E+00   -0.35913E+01
+    0.21875E+01   -0.63926E+00   -0.20410E+01
+   -0.15960E+01    0.52670E+01    0.20234E+00
+   -0.13268E+01    0.45540E+01   -0.27651E+00
+   -0.16806E+01    0.26963E+01   -0.18717E+01
+   -0.37835E+01   -0.39850E+00    0.22516E+01
+    0.41118E+01   -0.12876E+01    0.27478E+01
+   -0.11506E+01   -0.62430E+01    0.13510E+01
+    0.55078E+01    0.37580E+01    0.14412E+01
+   -0.23468E+01    0.13346E+01    0.35983E+01
+    0.21157E+01    0.14769E+01    0.11469E+01
+    0.25187E+01   -0.47061E+00    0.22288E+01
+    0.32764E+01    0.38016E+01    0.48045E+00
+    0.74696E+00   -0.28585E+01    0.32440E+01
+   -0.27947E+01    0.29505E+01    0.20847E+01
+   -0.43984E+01    0.30937E+01   -0.53513E+00
+    0.27402E+01    0.21271E+01    0.10329E+00
+   -0.26978E+01   -0.77967E+00    0.32114E+01
+    0.10027E+01    0.15746E+01    0.52710E+01
+   -0.38192E+01   -0.10901E+01    0.89412E+00
     0.38000E+01   -0.25738E-29   -0.46537E-14
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.89888E+00    0.28762E+00    0.18091E+01
-   -0.15918E+01    0.15883E+00   -0.13536E+01
-    0.12879E+01   -0.11621E+01    0.29439E+01
-   -0.52099E+00   -0.16634E+01    0.81939E+00
-    0.13799E+01   -0.17997E+01    0.68895E+00
-   -0.70460E+00   -0.26992E+01    0.20408E+01
-   -0.78753E+00    0.11687E+01    0.16101E+01
-    0.77231E+00    0.75372E+00   -0.28058E+01
-   -0.13082E+01   -0.61815E+00   -0.12487E+01
+    0.16900E+01    0.40920E+00    0.17316E+01
+   -0.42582E+00    0.24427E+00   -0.20224E+01
+    0.66154E+00   -0.10189E+01   -0.35061E+01
+   -0.11769E+01   -0.15291E+01    0.15942E-01
+    0.65495E+00   -0.12194E+00   -0.94058E+00
+   -0.24844E+01    0.17681E+01   -0.20406E+01
+   -0.23492E+01    0.15548E+01    0.12775E+01
+    0.70626E+00   -0.13732E+00   -0.60358E+00
+   -0.19147E+00    0.27561E+00   -0.16810E+01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.93331E+00   -0.10356E+01   -0.22722E+00
-   -0.65302E+00    0.98976E+00   -0.43268E+00
-    0.20685E+00   -0.10699E+01   -0.75216E+00
+   -0.77664E+00    0.61400E+00    0.64169E+00
+    0.45833E+00    0.10888E+01    0.34007E+00
+   -0.51968E+00   -0.42190E+00   -0.16161E+01
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.29980E+01   -0.15695E+01    0.73033E+00
-    0.23722E+00   -0.17467E+00    0.14215E+01
-   -0.64959E+00    0.97119E+00   -0.79035E+00
-   -0.17341E-01   -0.88208E+00    0.11125E+01
-   -0.10629E+01    0.55728E+00   -0.35999E+00
+   -0.10961E+01    0.41209E+01   -0.34319E+01
+    0.73664E+00    0.52574E+00   -0.11959E+01
+    0.71293E-01    0.72389E+00    0.14002E+01
+    0.15906E+01    0.51725E+00    0.92133E+00
+    0.30245E+00    0.19015E+00   -0.19027E+01
     0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x