projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
Merge branch 'devel' of mmka:unres into czarek
[unres.git] / examples / unres / new / microcanonical / VTS / ff_gab / 1L2Y_micro_002.rst
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_002.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_002.rst
index b770383..173bb72 100644 (file)
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_002.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_002.rst
@@ -1,90 +1,90 @@
-   100000.000001333        38.4850189226368       -30.7039364991143     
-   7.78108242352251        300.000000000000     
+   9999.66093767185        476.049526306556        252.172295366848     
+   728.221821673404        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.19950E-01    0.23740E+00    0.32164E+00
-   -0.73004E-01   -0.25534E+00   -0.19068E+00
-    0.62172E-01    0.11961E+00    0.15769E+00
-   -0.18630E+00   -0.11939E+00   -0.26658E+00
-   -0.26011E-01    0.98372E-01    0.15131E+00
-    0.17757E+00   -0.35944E-01   -0.97901E-01
-    0.14762E-01    0.14921E+00    0.21001E+00
-   -0.17195E+00   -0.16310E+00   -0.20311E+00
-    0.95002E-02    0.38388E+00   -0.80700E-01
-   -0.96251E-01   -0.21383E+00   -0.50670E-01
-    0.14888E+00   -0.36268E-01    0.16612E+00
-   -0.62964E-01   -0.11665E+00    0.17440E-02
-    0.72176E-02   -0.69835E-01   -0.60152E-01
-    0.12406E+00   -0.19171E-03    0.27181E-01
-    0.14351E-01    0.20738E-01    0.19037E+00
-   -0.24877E-01   -0.19567E+00   -0.25671E+00
-   -0.25125E+00    0.19292E+00    0.22203E+00
-    0.22385E+00    0.19566E+00   -0.19851E+00
-   -0.11707E+00   -0.62395E-01   -0.63900E-01
+   -0.19983E-01   -0.63069E+00    0.25038E+00
+   -0.29627E+00    0.54029E+00   -0.13162E+01
+   -0.77882E+00   -0.30678E+00    0.10074E+00
+    0.79443E+00   -0.29170E-01    0.63315E+00
+   -0.71310E+00   -0.57951E+00    0.45961E+00
+    0.64162E-01    0.10079E+01   -0.12220E+01
+    0.39629E+00   -0.11381E+01   -0.46985E-01
+    0.34550E+00    0.49166E+00    0.60231E+00
+    0.67537E+00    0.99222E-02   -0.21272E+00
+   -0.88501E+00    0.88415E-01    0.93933E-01
+   -0.74234E+00    0.91289E-01   -0.11530E+00
+    0.16235E+00    0.34094E+00    0.53906E+00
+    0.99736E+00   -0.13894E+00   -0.44387E+00
+   -0.11796E+01   -0.30951E+00   -0.35163E+00
+    0.11897E+01    0.39316E+00    0.33303E+00
+   -0.98909E+00   -0.40977E+00    0.74123E+00
+    0.52411E+00   -0.66916E+00    0.25423E+00
+   -0.22872E+00    0.43809E+00   -0.39202E+00
+    0.77843E+00   -0.51395E+00   -0.64374E+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    0.00000E+00
-   -0.72819E-01   -0.28509E-01   -0.76992E-01
-   -0.11676E+00    0.28065E-01   -0.28372E+00
-    0.33312E-01    0.10185E+00   -0.40451E-01
-    0.17396E-01   -0.23692E+00   -0.16993E+00
-    0.13734E+00    0.15846E+00    0.18575E-01
-   -0.25158E-01   -0.44597E-01   -0.68167E-02
-    0.95026E-01    0.89563E-01    0.61119E-01
-   -0.14595E+00   -0.49417E-01   -0.55589E-01
-   -0.57890E-01    0.68137E-01    0.16524E-01
+   -0.57140E+00   -0.92929E+00   -0.31383E+00
+   -0.46915E+00    0.44008E+00   -0.30488E+00
+   -0.27230E+00   -0.40169E+00    0.46359E+00
+    0.50361E+00    0.13525E+00    0.41976E+00
+   -0.41752E+00   -0.46400E+00   -0.46649E+00
+    0.10716E+00    0.42256E+00   -0.77544E+00
+    0.19988E+00    0.65226E-01    0.26379E+00
+   -0.38370E+00    0.62975E+00    0.61819E+00
+   -0.30400E+00   -0.10013E+00   -0.43562E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.14387E+00   -0.12324E+00    0.39754E-01
-    0.50876E-01    0.67927E-01    0.11825E+00
-    0.92454E-01    0.70999E-01    0.17594E+00
+    0.22343E+00    0.15703E+00    0.39387E+00
+    0.96193E-01    0.30335E+00    0.16155E+00
+   -0.14446E+00   -0.63257E-01    0.29373E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.16939E+00   -0.14402E-01   -0.33887E-01
-   -0.80570E-01    0.82633E-01   -0.35497E-01
-    0.22832E+00   -0.88962E-01   -0.10526E+00
-   -0.22753E-01   -0.21066E+00    0.85701E-01
-   -0.48973E-01   -0.18152E+00    0.19240E+00
+   -0.83908E+00   -0.69676E-01   -0.34979E-01
+    0.10664E+01    0.10047E+00    0.14861E+00
+    0.42930E-01    0.83912E+00   -0.78738E+00
+   -0.23998E+00    0.40851E+00   -0.43296E+00
+   -0.77943E+00    0.93997E+00   -0.16207E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.38000E+01    0.00000E+00    0.00000E+00
-    0.46026E+00   -0.17516E+01    0.32952E+01
-   -0.10111E+00   -0.34230E+01   -0.16608E+01
-    0.38094E+01   -0.44608E+00    0.38826E+00
-   -0.65207E+00   -0.27558E+01    0.25983E+01
-   -0.18328E+01   -0.22097E+01   -0.24860E+01
-    0.28918E+01    0.38641E+00   -0.25459E+01
-    0.24054E+01   -0.93585E+00    0.27839E+01
-   -0.15848E+01   -0.34580E+01    0.31750E+00
-   -0.80469E+00   -0.41971E+00   -0.37822E+01
-   -0.38027E+01    0.25187E+00   -0.20168E-01
-   -0.30471E+01    0.11770E+01   -0.19849E+01
-   -0.14522E+00    0.37816E+01    0.59059E+00
-   -0.24640E+01    0.20377E+01   -0.19606E+01
-   -0.31044E-01    0.28909E+01    0.24668E+01
-   -0.16190E+01   -0.19598E+01    0.28524E+01
-    0.86494E+00   -0.32320E+01    0.18036E+01
-   -0.25894E+01   -0.27530E+01   -0.87557E-01
-   -0.18851E+01   -0.92203E+00    0.31249E+01
-   -0.72279E+00   -0.36679E+01   -0.96745E+00
-    0.38000E+01   -0.25738E-29   -0.46537E-14
+    0.38605E+01    0.00000E+00    0.00000E+00
+    0.16003E+01    0.45643E+00    0.36718E+01
+   -0.11455E+01    0.31550E+01    0.16901E+01
+   -0.28193E+01   -0.99214E+00    0.24026E+01
+    0.76753E-01   -0.36061E+01    0.13564E+01
+   -0.24541E+01   -0.30730E+01   -0.45899E+00
+   -0.33166E+01   -0.16268E+01   -0.39457E+00
+   -0.21804E+01   -0.15194E+01    0.29354E+01
+   -0.30854E+01    0.23672E+01   -0.12814E+00
+   -0.15884E+01   -0.28654E+01   -0.18365E+01
+    0.17522E+01   -0.17491E+01    0.27614E+01
+   -0.13153E+01   -0.37526E+01    0.49716E+00
+    0.33441E+01   -0.70235E+00    0.18502E+01
+    0.62639E+00   -0.32723E+01   -0.16732E+01
+    0.33739E+01    0.14864E+01   -0.12518E+01
+    0.32409E+01    0.12438E+01    0.11443E+01
+    0.51170E+00    0.32525E+01   -0.19815E+01
+    0.37534E+01   -0.10484E+01    0.10253E+00
+    0.18545E+01   -0.29245E+00   -0.33932E+01
+    0.26771E+01    0.25228E+01   -0.15839E+01
+   -0.33070E+01    0.86916E+00   -0.17872E+01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.33155E+00    0.67789E+00   -0.15411E+01
-   -0.13974E-01   -0.51309E+00    0.19073E+01
-   -0.13643E+01   -0.20057E+01   -0.30324E+00
-    0.81833E+00    0.16224E+01    0.12636E+00
-   -0.19591E+01    0.10349E+01    0.55113E-01
-   -0.21421E+01   -0.14868E+01   -0.31679E+00
-   -0.10677E+01    0.12135E+01   -0.10281E+01
-    0.19734E+00   -0.20799E+01    0.14729E+01
-   -0.11411E+01   -0.12999E+01    0.31973E-03
+   -0.79602E+00    0.53730E+00   -0.14344E+01
+    0.76534E+00    0.99852E+00   -0.14869E+01
+   -0.82846E+00    0.21338E+01   -0.11660E+01
+   -0.37026E+00   -0.10304E+01   -0.15825E+01
+   -0.21743E+01    0.59950E+00    0.79637E-02
+   -0.76630E+00   -0.21558E+01    0.13917E+01
+    0.79230E+00   -0.31114E+00   -0.20744E+01
+    0.12402E+01   -0.11280E+01   -0.20800E+01
+   -0.81857E+00    0.62397E+00   -0.14906E+01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.91631E+00    0.34008E+00    0.87916E+00
-    0.64847E+00    0.99743E+00   -0.32614E-01
-   -0.46399E+00   -0.10772E+01   -0.15793E+00
+    0.26219E+00   -0.99477E+00   -0.12443E+01
+    0.93921E+00    0.56521E+00   -0.48805E+00
+    0.16091E+00    0.67645E+00   -0.92411E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.73178E+00    0.29154E+01    0.17658E+00
-   -0.34379E+00    0.98886E-01    0.13285E+01
-    0.10868E+01   -0.81236E+00   -0.42430E-02
-   -0.31023E+00    0.12654E+01   -0.26737E+00
-   -0.94193E+00    0.41608E+00   -0.56626E+00
+   -0.22622E+01    0.11266E+01    0.18563E+01
+   -0.75868E-03    0.16266E+00    0.11953E+01
+   -0.66087E+00   -0.11384E+01    0.57118E-01
+   -0.13114E+00    0.64396E+00   -0.11141E+01
+    0.40242E+00    0.11308E+01   -0.39790E+00
     0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x