projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
Merge branch 'prerelease-3.2.1' into czarek
[unres.git] / examples / unres / MD / microcanonical / VTS / ff_gab / outputs / 1L2Y_micro_002.rst
diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_002.rst b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_002.rst
new file mode 100644 (file)
index 0000000..4d4fd8d
--- /dev/null
+++ b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_002.rst
@@ -0,0 +1,90 @@
+   10000.0000001719        33.9222440266166       -58.5857766706670     
+  -24.6635326440503        300.000000000000     
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.45143E-01    0.48530E-01    0.41860E-01
+    0.34110E-02    0.40383E-01   -0.18203E+00
+    0.69730E-01   -0.44394E-01   -0.43096E-02
+    0.81974E-01    0.37050E-01   -0.58804E-01
+   -0.50628E-01   -0.21276E+00    0.51018E-01
+   -0.12485E+00   -0.10222E+00    0.60742E-01
+   -0.85857E-02    0.18829E+00    0.14472E+00
+   -0.21308E-01   -0.58035E-02   -0.18263E+00
+    0.95754E-01    0.11369E+00    0.10103E+00
+    0.23793E+00   -0.20604E+00   -0.58972E-01
+   -0.19585E+00    0.22156E+00    0.88901E-01
+    0.10559E+00   -0.24249E+00   -0.55066E-01
+   -0.31477E+00    0.71943E-01    0.10575E+00
+    0.17295E+00   -0.93709E-01   -0.94734E-01
+   -0.16944E+00    0.15330E+00    0.28199E-01
+    0.24836E+00   -0.40804E-01   -0.10719E+00
+   -0.82063E-01    0.14011E+00   -0.40276E-01
+    0.16760E-02   -0.23401E+00   -0.12241E+00
+    0.42528E-01    0.27150E+00    0.63939E+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
+   -0.40538E-01   -0.66885E-01   -0.13064E-01
+    0.20232E+00    0.51040E-02   -0.10505E+00
+    0.79948E-01   -0.83378E-01    0.22566E-02
+    0.25039E-01   -0.12007E+00   -0.80697E-01
+    0.14784E-01    0.62212E-01    0.26138E-02
+   -0.20447E-01    0.35852E-02    0.92274E-01
+   -0.65094E-02    0.54967E-01    0.86263E-01
+    0.12095E+00    0.42144E-01   -0.50272E-01
+    0.13011E+00   -0.14452E+00   -0.55518E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.80607E-01    0.12556E+00   -0.10218E+00
+   -0.20308E+00   -0.88271E-01   -0.31372E+00
+    0.14653E+00    0.48021E-01    0.31782E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.18138E+00   -0.48674E-01   -0.10163E+00
+   -0.80512E-01    0.44490E-01    0.18692E-01
+   -0.12494E+00   -0.11139E+00   -0.78216E-01
+    0.95075E-01    0.22182E+00    0.22618E+00
+   -0.32728E-01   -0.20306E+00   -0.36915E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.38000E+01    0.00000E+00    0.00000E+00
+    0.16222E+01   -0.30407E+01   -0.14382E+01
+    0.30641E+01   -0.55209E+00    0.22613E+01
+   -0.20054E+01   -0.11009E+01    0.30891E+01
+   -0.17447E+01   -0.27460E+01   -0.19835E+01
+    0.33310E+01   -0.12189E+01   -0.12872E+01
+    0.15643E+01    0.21409E+00    0.34212E+01
+   -0.26562E+01   -0.21538E+01    0.16440E+01
+    0.32380E-01   -0.28195E+01   -0.25839E+01
+    0.30049E+01   -0.18845E+01    0.13293E+01
+    0.27135E+01    0.23808E+01    0.11751E+01
+    0.56238E+00    0.10421E+01   -0.35891E+01
+   -0.73115E+00   -0.33435E+01   -0.16509E+01
+   -0.14324E+01    0.16132E+01   -0.31274E+01
+    0.18059E+01   -0.48763E-01   -0.33420E+01
+    0.85150E+00    0.36474E+01    0.45797E+00
+    0.29875E+01    0.12798E+01    0.19568E+01
+    0.48482E-01   -0.52531E+00    0.36881E+01
+    0.54670E+00    0.32998E+01    0.17766E+01
+    0.63491E+00   -0.18694E+01    0.32924E+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
+    0.13209E+01    0.18310E+00    0.10347E+01
+    0.81170E-01   -0.19585E+01    0.11900E+00
+    0.19951E+01   -0.11328E+01   -0.98070E+00
+   -0.10442E+01    0.10389E+01    0.88129E+00
+   -0.18040E+01    0.12677E+01    0.10583E+00
+    0.24740E+01   -0.23623E+00   -0.79994E+00
+    0.14241E+01    0.13492E+01    0.12288E+00
+   -0.21786E+01    0.13349E+01   -0.20514E+00
+    0.12172E+01    0.10614E+01   -0.60937E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.47520E+00    0.12099E+01    0.30385E+00
+    0.12571E+00   -0.82704E+00    0.81858E+00
+   -0.25404E+00    0.75236E+00    0.86944E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.21762E+01    0.17835E+01    0.11089E+01
+   -0.49909E+00    0.11625E+01   -0.38983E+00
+    0.12876E+01   -0.24646E+00    0.21933E+00
+   -0.13182E+01    0.26253E+00   -0.18621E+00
+   -0.63674E+00   -0.84817E+00   -0.46200E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x