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_gab / 1L2Y_micro_004.rst
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_004.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_004.rst
index 5a8813f..0b7a4c7 100644 (file)
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_004.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_004.rst
@@ -1,90 +1,90 @@
-   100000.000001333        1078.11880694492        518.414424358386     
-   1596.53323130331        300.000000000000     
+   9999.70593767184        453.201446473945        276.911821870694     
+   730.113268344639        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.54470E+00    0.54544E+00   -0.68399E+00
-    0.11929E+01   -0.17603E+01    0.20195E+01
-   -0.97197E+00    0.48590E+00   -0.68467E+00
-    0.72781E+00    0.25106E+00   -0.34324E-01
-   -0.79331E-01   -0.43494E+00   -0.55114E+00
-   -0.33907E+00   -0.10479E+00    0.12386E+01
-    0.31908E+00    0.82012E+00   -0.31602E+00
-    0.33809E+00   -0.10457E+01   -0.39162E+00
-   -0.12743E+01    0.18268E+01   -0.10313E+01
-    0.20297E+01   -0.20550E+01    0.56033E+00
-   -0.12847E+01    0.93759E+00   -0.16125E+00
-   -0.17042E+01    0.66062E+00    0.13028E+01
-    0.13559E+01   -0.20333E+01   -0.13017E+01
-   -0.48802E+00    0.13286E+01    0.55729E+00
-    0.76957E+00    0.45239E-01   -0.87200E+00
-    0.45446E+00   -0.14304E+00    0.18197E+01
-    0.47818E-01   -0.27363E+00   -0.20319E+01
-   -0.41321E+00    0.66603E+00    0.16407E+01
-   -0.21695E+01    0.28645E+00   -0.12367E+01
+    0.18683E+01    0.54924E+00   -0.46819E+00
+   -0.15979E+01   -0.23092E+00   -0.27829E-02
+    0.80731E+00    0.40431E+00    0.60922E-01
+   -0.34022E+00   -0.30166E+00    0.24940E+00
+   -0.74532E+00   -0.34701E+00   -0.11093E+01
+    0.76870E+00    0.42055E+00    0.88805E+00
+    0.65317E-02    0.74512E+00   -0.40546E+00
+   -0.39935E+00   -0.86054E+00    0.17881E+00
+    0.63494E-04   -0.53478E+00    0.15261E+00
+   -0.23228E+00    0.38700E+00    0.17672E+00
+    0.13028E+01    0.31311E+00   -0.98322E-01
+   -0.11720E+01    0.10110E+00   -0.31324E+00
+    0.46512E+00   -0.33069E+00    0.62460E+00
+    0.39415E-01    0.77406E+00   -0.43986E+00
+    0.32152E+00   -0.11046E+01    0.11625E+00
+    0.98383E-01    0.73257E+00   -0.19677E+00
+   -0.58022E+00   -0.32675E-01   -0.23023E+00
+    0.16071E+00   -0.45447E+00    0.74425E+00
+   -0.13356E+01    0.55537E+00   -0.97355E+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
-    0.10633E+01   -0.63296E+00   -0.78600E-01
-    0.76473E+00   -0.15293E+01    0.15638E+00
-   -0.31569E+00    0.43531E+00   -0.64448E+00
-    0.16248E+00   -0.55835E+00   -0.50292E+00
-   -0.94696E+00    0.10149E+00   -0.19324E-01
-    0.82661E-01    0.49740E+00    0.98621E+00
-    0.43261E+00   -0.18515E+00   -0.96382E+00
-   -0.15051E+00   -0.30231E+00   -0.27745E+00
-   -0.98728E+00   -0.45251E-02   -0.25872E+00
+    0.32867E+00    0.23477E+00   -0.62935E-01
+   -0.28780E+00   -0.21899E+00    0.34957E-01
+    0.44473E+00   -0.16822E+00   -0.79529E-01
+   -0.12460E+00   -0.41602E-01   -0.11727E+00
+   -0.50802E-01   -0.38651E+00    0.26208E+00
+    0.68782E+00    0.29484E+00    0.96848E-01
+   -0.80155E+00   -0.27327E+00   -0.64212E+00
+   -0.12744E+00   -0.70257E+00   -0.13851E+00
+    0.10405E+01   -0.49861E+00   -0.89945E-01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.51256E+00   -0.74698E+00    0.74008E+00
-    0.10736E+01    0.46985E+00   -0.97357E+00
-   -0.56524E+00    0.17476E+01   -0.31267E+00
+   -0.13717E+00   -0.80121E+00   -0.12480E+00
+    0.15507E+00   -0.37623E+00   -0.13262E+00
+   -0.95851E-01    0.10153E+00   -0.27702E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.80527E+00   -0.26206E+00    0.19303E+00
-   -0.40705E+00    0.36928E+00   -0.11016E+01
-   -0.62432E+00    0.89312E+00    0.69352E+00
-    0.43755E+00   -0.70579E-01    0.35166E+00
-    0.83492E+00   -0.11796E+01    0.44961E+00
+    0.17920E+00    0.37356E+00   -0.15701E+00
+   -0.23630E+00   -0.42433E+00    0.19913E+00
+    0.30068E+00   -0.18453E+00    0.37400E+00
+   -0.36411E+00   -0.14366E+00   -0.21688E-01
+    0.11964E+01   -0.59340E+00   -0.92732E-01
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.38000E+01    0.00000E+00    0.00000E+00
-    0.21169E+01    0.67977E+00   -0.31166E+01
-    0.12713E+01   -0.60120E+00   -0.39471E+01
-   -0.27438E+01   -0.22481E+01   -0.23235E+01
-   -0.14703E+01    0.34069E+01    0.13402E+01
-   -0.49883E+00    0.30862E+00   -0.39827E+01
-    0.11540E+01   -0.15956E+01   -0.32243E+01
-   -0.26604E+01   -0.32544E+01    0.68698E-01
-   -0.34505E+01    0.14988E+01    0.64969E+00
-    0.16853E+01    0.29232E+01   -0.20872E+01
-    0.21322E+00    0.93923E+00   -0.33491E+01
-   -0.12093E+01    0.92856E+00   -0.33669E+01
-   -0.37394E+01   -0.30317E+00    0.41529E+00
-   -0.24274E+01   -0.28815E+01    0.53241E+00
-   -0.15133E+01   -0.14400E+01   -0.33053E+01
-   -0.31934E+00   -0.11259E+01   -0.36713E+01
-   -0.13335E+01   -0.35437E+01    0.34906E+00
-   -0.34188E+01    0.87867E+00   -0.15110E+01
-    0.24260E+00   -0.28467E+01    0.23751E+01
-   -0.25503E+01   -0.19588E+01    0.20034E+01
-    0.38000E+01   -0.25738E-29   -0.46537E-14
+    0.38605E+01    0.00000E+00    0.00000E+00
+   -0.15723E+01   -0.27707E+01    0.19175E+01
+    0.95858E-01   -0.10627E+01   -0.36990E+01
+   -0.16855E+01   -0.30218E+01    0.14575E+01
+   -0.14681E+01    0.10081E+00   -0.33853E+01
+   -0.29215E+01   -0.24098E+01   -0.37598E+00
+   -0.23267E+01   -0.69254E+00   -0.34420E+01
+   -0.26745E+01   -0.22420E+01    0.15006E+01
+    0.33622E+00   -0.23568E+01   -0.29254E+01
+   -0.15512E+01   -0.20177E+01   -0.28498E+01
+    0.18653E+01    0.12082E+01   -0.32576E+01
+    0.18383E+01   -0.25299E+01   -0.25930E+01
+   -0.30369E+01   -0.54847E+00   -0.20769E+01
+   -0.35746E+01    0.11247E+01    0.36285E+00
+   -0.13443E+01   -0.33730E+01   -0.10243E+01
+   -0.32075E+01   -0.15662E+01    0.83278E+00
+   -0.37536E+00   -0.24716E+01   -0.28891E+01
+   -0.29792E+01   -0.12362E+01    0.20244E+01
+   -0.13741E+01   -0.34465E+01    0.15456E+01
+   -0.31186E+01   -0.22437E+01   -0.32316E+00
+   -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
-   -0.11601E+00   -0.19551E+01    0.50791E+00
-   -0.55008E+00    0.14397E+01   -0.11796E+01
-    0.19735E+01    0.18019E+01    0.28805E+00
-    0.35194E+00   -0.12144E+01    0.12467E+01
-   -0.14523E+01    0.35802E+00    0.12949E+01
-   -0.16535E+01   -0.21247E+01    0.62454E+00
-    0.12745E+01    0.24650E+00    0.14486E+01
-    0.19207E+01   -0.50208E+00   -0.20148E+01
-   -0.12663E+01   -0.84765E+00    0.31531E+00
+   -0.27414E+00    0.14848E+01    0.94477E+00
+   -0.14085E+01    0.13389E+01    0.28390E+00
+    0.21240E+01    0.65985E+00   -0.58368E+00
+    0.12297E+01    0.17866E+00    0.16893E+01
+   -0.26993E-01    0.18078E+01   -0.10418E+01
+   -0.25066E+01   -0.50900E+00    0.98437E+00
+   -0.17361E+01    0.10379E+01   -0.87447E-01
+   -0.13080E+01    0.19059E+00   -0.21709E+01
+    0.10158E+01   -0.12578E+01   -0.85503E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.14714E+01   -0.11855E+00   -0.36426E+00
-   -0.24376E-01    0.97584E+00   -0.64065E+00
-   -0.94319E+00    0.70415E+00    0.90099E+00
+    0.27171E-01   -0.12190E+01   -0.60829E+00
+   -0.73646E+00   -0.69824E+00    0.25330E+00
+   -0.11597E+01   -0.16906E+00   -0.34547E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.21053E+00    0.32631E+01   -0.44517E+00
-    0.25110E+00   -0.75701E+00    0.83965E+00
-    0.14832E+00    0.85106E+00   -0.11999E+01
-   -0.92197E+00   -0.60876E+00   -0.55614E+00
-    0.74047E+00    0.14756E+00    0.10723E+01
+    0.19863E+01    0.30595E+00    0.20741E+01
+    0.69165E+00   -0.63025E-01    0.14268E+01
+   -0.35568E+00   -0.40228E+00   -0.13182E+01
+    0.46990E+00   -0.78823E+00   -0.10649E+01
+    0.14482E+00   -0.12323E+01    0.22270E+00
     0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x