projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
New examples based on current version of UNRES.
[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 7fc8ae3..81199d5 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        1279.66290203620        523.985243561400     
-   1803.64814559760        300.000000000000     
+   10000.0000001719        26.5518512018933       -44.2139359319031     
+  -17.6620847300098        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.11826E+01   -0.31791E+00    0.13344E+01
-    0.53449E+00    0.12622E+00   -0.17194E+01
-   -0.79993E+00   -0.14195E+01    0.12995E+00
-    0.26373E+01    0.16332E+01    0.43299E+00
-   -0.16913E+01   -0.89537E-01   -0.22025E-01
-    0.16527E+01   -0.19787E+00    0.72022E+00
-   -0.12677E+01    0.30344E+00    0.73788E+00
-   -0.15179E+01   -0.65261E+00   -0.11772E+01
-    0.34091E-01    0.34274E+00    0.96003E+00
-    0.80298E+00    0.90429E-01   -0.14406E+01
-   -0.31465E+00   -0.17707E-01    0.95677E+00
-    0.17398E+01   -0.96132E+00   -0.22691E+01
-   -0.38089E+00   -0.41638E+00    0.22218E+01
-   -0.59131E+00    0.19178E+01    0.82022E-01
-   -0.46238E+00   -0.14932E+01   -0.73003E+00
-    0.14596E+00    0.59124E-01    0.10167E+01
-    0.67062E+00    0.14481E+01   -0.13663E+01
-   -0.44345E-01   -0.17414E+01    0.39154E+00
-   -0.40855E+00    0.27015E+00    0.69940E+00
+   -0.16202E+00   -0.22335E+00    0.83917E-01
+    0.13163E+00    0.11111E+00   -0.42051E-02
+   -0.11598E-01    0.24945E+00   -0.16456E+00
+   -0.11844E+00   -0.22171E+00    0.30675E+00
+    0.18639E+00    0.36403E-01   -0.21689E+00
+   -0.61370E-01    0.90599E-01   -0.10470E+00
+    0.81081E-01   -0.62490E-01    0.24778E+00
+   -0.34920E+00    0.57184E-01   -0.16491E+00
+    0.27775E+00    0.38270E-01    0.89292E-01
+   -0.12109E+00   -0.14902E+00   -0.43135E-01
+    0.10945E+00   -0.41400E-01   -0.78677E-01
+    0.26624E+00    0.24132E-01   -0.57156E-01
+   -0.10103E-01   -0.59344E-01    0.19500E+00
+   -0.15684E+00    0.14090E+00    0.14325E-01
+   -0.25840E+00    0.43141E-01   -0.18345E+00
+    0.21985E+00   -0.12162E+00    0.23910E+00
+   -0.32106E+00   -0.81156E-01   -0.17803E+00
+    0.44023E+00    0.60644E-01    0.13423E+00
+   -0.44647E+00    0.33271E+00   -0.29803E+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
-    0.60999E+00   -0.97340E+00    0.65482E+00
-    0.98469E+00   -0.15511E+00   -0.32427E+00
-    0.25229E+00   -0.99105E-01    0.21939E+00
-    0.37472E+00    0.20601E+00    0.44604E+00
-   -0.19212E+01    0.22244E+00    0.70072E+00
-    0.11495E+00   -0.67930E-01    0.86383E+00
-   -0.17582E+01    0.58923E-01   -0.21640E+00
-   -0.43821E+00   -0.12304E+00   -0.49132E+00
-   -0.37390E+00    0.36232E-02   -0.23167E+00
+   -0.29666E-01   -0.78045E-01    0.16396E-02
+    0.15022E+00    0.11839E+00   -0.17829E+00
+   -0.46679E-01    0.83099E-02   -0.57340E-01
+    0.13285E-01   -0.16243E+00   -0.36890E-01
+    0.15441E+00    0.98769E-01   -0.19280E+00
+   -0.32959E-01    0.29443E-02   -0.17897E-01
+    0.75993E-01   -0.23208E+00    0.16086E+00
+   -0.71491E-01    0.55448E-01   -0.13600E+00
+    0.13450E+00   -0.19275E-01    0.61984E-01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.73669E+00   -0.58057E+00    0.30567E+00
-   -0.40050E+00    0.18997E+00    0.49992E+00
-   -0.50214E+00    0.17920E+01   -0.44058E+00
+   -0.27833E-01    0.48906E-01    0.85217E-01
+   -0.26098E+00   -0.13063E-01    0.70119E-01
+   -0.16688E+00    0.30206E-01    0.63516E-01
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.97740E+00    0.13455E+00   -0.49374E+00
-   -0.14344E+00    0.41001E+00   -0.10732E+01
-   -0.22047E+00   -0.73405E+00    0.84277E+00
-   -0.56749E+00    0.11796E+01   -0.22366E+00
-   -0.11214E+01   -0.55340E+00   -0.48586E+00
+    0.13852E+00   -0.84506E-01   -0.84443E-03
+   -0.92744E-01    0.74780E-01    0.16118E-01
+    0.20708E+00    0.91453E-01   -0.69843E-01
+   -0.82635E-01    0.52456E-01   -0.20930E+00
+    0.20955E+00   -0.15516E+00    0.58221E-01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.38000E+01    0.00000E+00    0.00000E+00
-    0.17736E+01   -0.23987E+01   -0.26611E+01
-    0.84638E+00   -0.31569E+01   -0.19670E+01
-    0.25229E+01    0.24943E+01   -0.15207E+01
-    0.30020E+01   -0.15931E+01   -0.21453E+01
-    0.35576E+01   -0.20005E+01   -0.47263E+00
-    0.36152E+01    0.43113E+00    0.15597E+01
-    0.31571E+01   -0.93709E+00   -0.15028E+01
-    0.11354E+01    0.55407E+00    0.38410E+01
-   -0.24053E+01    0.27172E+01    0.73680E-01
-   -0.12706E+00   -0.15162E+00    0.41337E+01
-    0.28842E+00    0.36259E+01    0.91445E-01
-   -0.37367E+01    0.45073E+00   -0.12447E+01
-   -0.32434E+01    0.80534E+00    0.17917E+01
-   -0.27165E+01    0.50381E+00    0.28206E+01
-   -0.85891E+00    0.31897E+01   -0.18054E+01
-    0.34530E+00    0.35816E+01    0.15967E+01
-   -0.38103E+01    0.72309E+00    0.36792E+00
-    0.91951E+00    0.38494E+01    0.38159E+00
-   -0.12680E+01    0.12184E+01   -0.30653E+01
-    0.38000E+01   -0.25738E-29   -0.46537E-14
+    0.28975E+00    0.25107E+01   -0.28965E+01
+   -0.57311E-02    0.32250E+01    0.20588E+01
+    0.25845E+01    0.18914E+01   -0.19699E+01
+   -0.24690E+01    0.21778E+01   -0.18665E+01
+   -0.11294E+01    0.15803E+01    0.32744E+01
+    0.35662E+01    0.28485E-01    0.14476E+01
+    0.11228E+01    0.27519E+01   -0.24280E+01
+   -0.28876E+01    0.21877E+01    0.11160E+01
+    0.11778E+01   -0.45976E+00    0.36293E+01
+    0.86854E-01   -0.32613E+01    0.19097E+01
+   -0.36036E+01   -0.12173E+01    0.25383E-01
+   -0.27325E+01    0.26942E+01    0.46083E-01
+   -0.24614E+01   -0.24602E+01   -0.14636E+01
+   -0.82510E+00   -0.21135E+01    0.30534E+01
+    0.29571E+01   -0.23277E+01   -0.49677E+00
+    0.24520E+01   -0.18054E+01    0.22213E+01
+    0.29106E+01    0.21207E+01    0.12809E+01
+    0.34100E+01   -0.46795E+00   -0.16846E+01
+    0.26942E+01   -0.15064E+01    0.22751E+01
+    0.37054E+01    0.10728E+00   -0.83576E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.12753E+01   -0.67466E+00    0.14234E+01
-   -0.17003E+01    0.96637E+00    0.37715E+00
-   -0.78694E+00   -0.15778E+01   -0.17335E+01
-    0.11384E+01    0.14979E+01   -0.43283E-02
-   -0.18123E+00    0.14257E+01   -0.16435E+01
-    0.25017E+00    0.22039E+01    0.11463E+01
-   -0.77402E+00   -0.10244E+01    0.19421E+01
-    0.12060E+01   -0.22282E+01    0.13801E+01
-   -0.11815E+01    0.69959E-01    0.15417E+01
+    0.14845E+01   -0.53819E-01    0.81709E+00
+   -0.62343E+00   -0.33811E+00   -0.18087E+01
+    0.59413E+00    0.34380E+00    0.23938E+01
+    0.16487E+01   -0.50576E+00   -0.55677E+00
+    0.25853E+00    0.40401E-01   -0.22513E+01
+   -0.71391E+00   -0.18128E+01    0.17013E+01
+    0.77281E+00   -0.15529E+01    0.79659E+00
+   -0.67341E+00    0.26202E+00   -0.24821E+01
+   -0.12977E+01   -0.83355E+00   -0.73540E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.14035E+01    0.46240E+00   -0.71661E+00
-    0.67531E+00    0.78149E+00   -0.49179E+00
-   -0.10040E+01    0.21213E+00   -0.77420E+00
+    0.47730E+00   -0.89140E+00    0.92185E+00
+    0.94005E-01    0.76708E+00    0.88909E+00
+    0.16668E+00    0.22239E+00   -0.11304E+01
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.40498E+00    0.11996E+01   -0.30240E+01
-    0.17725E+00   -0.88694E+00    0.10281E+01
-   -0.11212E+01    0.90345E+00    0.33012E+00
-   -0.85195E+00    0.12233E+01   -0.18194E+00
-    0.36347E+00    0.14170E-01   -0.11187E+01
+   -0.11170E+01    0.72329E+00   -0.27144E+01
+    0.15712E+00   -0.27653E+00   -0.12923E+01
+   -0.27715E+00   -0.68824E+00    0.11839E+01
+   -0.30114E+00    0.10210E+01   -0.78990E+00
+   -0.95666E+00   -0.42918E+00    0.51336E+00
     0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x