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_007.rst
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_007.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_007.rst
index 85d38f4..29bb6ed 100644 (file)
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_007.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_007.rst
@@ -1,90 +1,90 @@
-   100000.000001333        28.0399690497155       -31.9417752915222     
-  -3.90180624180673        300.000000000000     
+   100000.000001333        1158.79793798049        376.611002613796     
+   1535.40894059429        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.48438E+00    0.25066E+00    0.43868E+00
-    0.29791E+00   -0.14415E+00   -0.18315E+00
-   -0.15355E+00   -0.10744E+00   -0.47500E-01
-    0.10010E+00    0.69023E-01    0.14879E+00
-    0.64898E-01   -0.21457E-01   -0.21863E+00
-   -0.29984E+00    0.68905E-01    0.84624E-01
-    0.37366E+00    0.79644E-01    0.12623E+00
-   -0.15897E+00   -0.13442E+00   -0.35273E-01
-   -0.23870E-01    0.10785E+00    0.33743E-01
-    0.22111E-02   -0.15844E+00   -0.43905E-01
-    0.17013E+00    0.33083E+00    0.77001E-01
-   -0.27756E-01   -0.23642E+00   -0.27720E+00
-   -0.11026E+00    0.16010E+00    0.23785E+00
-   -0.41347E-01   -0.12692E+00    0.17752E+00
-    0.79450E-01   -0.13819E-01   -0.29588E+00
-   -0.11565E+00    0.16971E+00    0.81933E-01
-   -0.64078E-02   -0.36938E+00   -0.13826E+00
-    0.32561E-01    0.18753E+00    0.33147E+00
-   -0.10066E+00    0.25066E+00   -0.28754E+00
+    0.14955E+00    0.12203E+00   -0.83897E+00
+    0.48103E+00    0.49383E+00    0.11595E+01
+   -0.68803E+00   -0.24852E+00    0.51194E+00
+   -0.65378E+00   -0.10455E+01   -0.52389E+00
+    0.11623E+00    0.10802E+01    0.40669E+00
+    0.21389E+00   -0.11662E+01   -0.10827E+01
+   -0.48525E-01    0.36877E+00   -0.14392E-01
+    0.19515E+00    0.10310E+01    0.99271E+00
+    0.15372E+00   -0.28336E+01    0.50048E-02
+   -0.28156E+00    0.65789E+00   -0.72553E+00
+    0.19771E-01    0.19057E+01    0.48772E+00
+    0.22143E-01   -0.12609E+01   -0.83019E+00
+    0.29561E-01    0.17350E+01    0.22807E+01
+   -0.50435E+00   -0.21843E+01   -0.20050E+01
+    0.22447E+00    0.51075E+00    0.74851E+00
+    0.37495E+00    0.84080E+00   -0.40259E+00
+   -0.85800E+00    0.29021E+00    0.93579E+00
+    0.65170E+00   -0.20508E+01   -0.18925E+01
+   -0.43300E+00    0.21718E+01    0.27211E+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
-   -0.13907E+00    0.18743E+00    0.34935E+00
-    0.83770E-01   -0.31848E-01    0.35473E-02
-   -0.13504E-01   -0.84754E-01   -0.44249E-01
-    0.49616E-01    0.37517E-01    0.10160E+00
-   -0.80291E-01   -0.66794E-01   -0.11269E+00
-   -0.86839E-02   -0.49083E-01    0.15011E+00
-    0.19998E+00    0.15511E-01    0.30204E-02
-   -0.89017E-01   -0.41473E-01   -0.98141E-01
-   -0.75500E-01   -0.66082E-01   -0.13137E+00
+   -0.44907E+00   -0.28394E+00   -0.22633E+00
+   -0.11517E+01   -0.56775E+00   -0.21989E-01
+   -0.31995E+00   -0.19788E+00   -0.42988E+00
+   -0.22395E+00    0.26731E+00   -0.55664E+00
+   -0.20702E+00   -0.41651E+00    0.56034E+00
+    0.66693E+00   -0.64282E+00   -0.40183E+00
+    0.32285E+00    0.11533E+01    0.38857E-01
+    0.30961E+00    0.99933E-01    0.23078E+00
+    0.10320E+01   -0.10617E+01    0.32021E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.14382E+00   -0.14085E+00   -0.29535E-01
-    0.51370E-02    0.15402E-01    0.18450E+00
-   -0.85307E-01   -0.26103E+00   -0.36655E-01
+   -0.93588E+00   -0.66139E-01   -0.11256E+00
+    0.84694E+00    0.54696E-03    0.29430E+00
+   -0.15412E+01   -0.10079E+01   -0.11459E+01
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.11178E+00   -0.67051E-01    0.64503E-01
-    0.55107E-01   -0.23543E+00   -0.26631E-01
-    0.27105E-01    0.75905E-01    0.49645E-01
-    0.94959E-01   -0.75573E-01   -0.22059E+00
-    0.81512E-01   -0.22379E+00    0.23142E+00
+    0.29991E+00    0.10205E+01   -0.58204E-01
+    0.36040E+00    0.48267E+00   -0.18497E+00
+    0.31020E+00   -0.67867E+00   -0.11121E+01
+    0.26265E+00    0.13792E+01    0.35044E+00
+    0.38292E+00   -0.58170E+00   -0.17285E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.38000E+01    0.00000E+00    0.00000E+00
-    0.18237E+01    0.17196E+01    0.29213E+01
-   -0.33355E+00    0.37615E+01   -0.50525E-01
-    0.36939E+01    0.80835E+00   -0.60251E-01
-    0.68893E+00   -0.24776E+01   -0.27903E+01
-   -0.25332E+01    0.18447E+01   -0.22543E+01
-    0.12394E+01    0.34363E+01    0.11265E+01
-    0.35643E+01   -0.95248E+00   -0.83084E+00
-   -0.94085E+00   -0.19312E+01   -0.31388E+01
-   -0.87768E+00    0.25250E+01   -0.25663E+01
-   -0.37735E+01   -0.25312E+00    0.50016E+00
-   -0.25470E+01    0.21291E+01    0.17900E+01
-    0.21132E-01    0.19006E+00    0.37597E+01
-   -0.17142E+01    0.19772E+01    0.27559E+01
-   -0.49386E+00   -0.25546E+01    0.28794E+01
-   -0.28250E+01   -0.15627E+01   -0.19618E+01
-   -0.34270E-01   -0.20262E+01   -0.32337E+01
-    0.26980E+00    0.60006E+00   -0.37691E+01
-    0.54783E+00   -0.28272E+01   -0.24308E+01
-    0.41939E+00    0.22529E+01   -0.30407E+01
+    0.21364E+01    0.13921E+00    0.33562E+01
+    0.20518E+01   -0.27336E+01    0.17516E+01
+    0.15818E+01   -0.35610E+01   -0.12110E+00
+   -0.27923E+01   -0.27664E+01    0.20282E+00
+   -0.55904E+00   -0.37903E+01   -0.37039E+00
+   -0.15998E+01   -0.23165E+01    0.25387E+01
+    0.81023E+00   -0.16911E+01    0.32578E+01
+   -0.38773E+01    0.16890E+00    0.24603E+00
+   -0.11900E+01    0.29701E+01   -0.21508E+01
+    0.14402E+01    0.21062E+01    0.26004E+01
+    0.18214E+01    0.34804E+01    0.10107E+01
+   -0.33400E+01    0.15860E+01    0.61223E+00
+   -0.38478E+01   -0.78509E+00   -0.67510E+00
+   -0.93609E+00   -0.11139E+01    0.36306E+01
+    0.52598E+00    0.35917E+01    0.14588E+01
+    0.96674E+00   -0.11002E+01    0.37745E+01
+   -0.28180E+01    0.12550E+01    0.26790E+01
+   -0.53105E+00   -0.37081E+01    0.91761E+00
+   -0.41192E+00    0.49739E+00   -0.35011E+01
     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
-    0.41471E+00    0.14824E+01   -0.57052E+00
-    0.15437E+01    0.31365E+00    0.11324E+01
-   -0.14401E+01    0.57161E+00   -0.19661E+01
-    0.85354E+00   -0.35595E+00    0.14708E+01
-   -0.12782E+01   -0.18825E+01   -0.48214E-01
-   -0.80054E+00   -0.95358E+00   -0.23203E+01
-    0.26916E+00    0.13590E+01    0.13602E+01
-    0.92324E+00   -0.11192E+01    0.21027E+01
-    0.27306E+00   -0.16261E+01    0.42964E+00
+    0.12613E+01   -0.11112E+01   -0.48143E+00
+   -0.76688E+00    0.67542E+00    0.15873E+01
+    0.12871E+01    0.10980E+01   -0.19633E+01
+   -0.64188E+00   -0.36336E-02    0.19999E+01
+   -0.81632E+00    0.17864E+01   -0.16785E+00
+   -0.21434E+01    0.86839E+00   -0.12928E+01
+   -0.13279E+01   -0.40947E+00   -0.16403E+01
+   -0.83606E+00   -0.28072E+01    0.12436E+00
+   -0.51320E+00   -0.16291E+01    0.54025E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.70768E+00   -0.40720E+00   -0.11028E+01
-    0.62027E+00   -0.68844E+00    0.64951E+00
-    0.19265E+00    0.54181E+00   -0.96885E+00
+   -0.16091E-02    0.56303E+00   -0.13782E+01
+    0.19303E+00   -0.76536E+00    0.88809E+00
+   -0.79832E+00    0.25679E-02   -0.53200E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.15199E+01    0.12916E+01    0.22145E+01
-   -0.13572E+01    0.28328E-01   -0.32822E+00
-    0.41010E+00    0.12268E+01    0.42643E+00
-   -0.86515E+00   -0.40965E+00   -0.95215E+00
-   -0.23181E+00    0.10873E+01    0.30640E+00
+   -0.27258E+01    0.19741E+01    0.26563E+00
+    0.33261E+00    0.10075E+01   -0.63539E+00
+   -0.14182E+01    0.27208E+00   -0.83226E-01
+   -0.87439E+00   -0.11284E+01    0.37416E-01
+   -0.92637E+00    0.33868E+00   -0.78979E+00
     0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x