projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego
[unres.git] / examples / unres / new / microcanonical / RESPA / ff_1l2y / 1L2Y_micro_000.rst
diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_000.rst b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_000.rst
new file mode 100644 (file)
index 0000000..3e1da97
--- /dev/null
+++ b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_000.rst
@@ -0,0 +1,90 @@
+   100000.000001333        32.5689843500475       -24.7063624228651     
+   7.86262192718240        300.000000000000     
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.53556E-01   -0.61848E-01   -0.11695E+00
+   -0.11682E+00   -0.10883E+00   -0.21671E+00
+   -0.21191E+00    0.13198E+00    0.27155E+00
+    0.40369E+00   -0.25935E-01   -0.39282E-01
+   -0.24192E+00    0.13298E+00   -0.52774E-01
+    0.12356E+00   -0.39423E-01    0.20966E+00
+    0.26802E+00    0.34255E-01   -0.86671E-01
+   -0.36917E+00   -0.35566E-01   -0.41539E-01
+   -0.17320E-01   -0.17099E+00    0.69206E-01
+    0.10989E+00    0.16130E+00   -0.10253E+00
+   -0.46355E-01   -0.28837E-01    0.85130E-01
+   -0.13440E+00    0.30703E+00   -0.30542E-01
+    0.19607E+00   -0.28227E+00   -0.49325E-01
+    0.19746E-01    0.70927E-01   -0.63641E-01
+    0.52108E-02   -0.21548E+00    0.10868E-01
+   -0.15782E+00    0.12738E+00   -0.18665E-01
+    0.14783E+00    0.10248E+00    0.12219E-01
+   -0.15077E+00   -0.63653E-01    0.13498E+00
+    0.91612E-01    0.21047E+00    0.33202E-01
+    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
+   -0.20409E+00    0.51176E-01   -0.54723E-01
+   -0.47506E-01    0.14677E+00   -0.33097E-01
+    0.15452E+00    0.55867E-01    0.16264E+00
+    0.25198E+00    0.37373E-01   -0.27907E-01
+   -0.45135E-01    0.92639E-01    0.14324E-01
+    0.10741E+00   -0.86847E-01    0.13981E+00
+   -0.86996E-01    0.16062E+00   -0.12910E+00
+   -0.32314E+00    0.69953E-01    0.12724E+00
+   -0.12728E+00    0.84634E-01   -0.12175E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.31129E-01   -0.10769E-01    0.13423E-02
+    0.17304E+00   -0.14373E+00    0.41130E-02
+    0.10744E+00    0.42945E-01    0.16452E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.13121E-01    0.45863E-01    0.97229E-02
+    0.24759E-01    0.42579E-01    0.56239E-01
+   -0.10381E+00   -0.67217E-01    0.18394E+00
+    0.20305E+00    0.15418E+00   -0.56253E-01
+   -0.92677E-01   -0.34073E+00   -0.79244E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.38000E+01    0.00000E+00    0.00000E+00
+    0.18714E+01   -0.23158E+01    0.20880E+01
+    0.34665E+01    0.13888E+01   -0.10166E+01
+    0.24502E+01   -0.23619E+01    0.14534E+01
+    0.10402E+00    0.26905E+01    0.26185E+01
+   -0.37183E+01   -0.11615E+01    0.10305E+01
+    0.12785E+01   -0.35946E+01    0.18553E+00
+   -0.18801E+01   -0.86660E+00    0.33003E+01
+   -0.31089E+01    0.10726E+01   -0.21457E+01
+   -0.70096E+00   -0.36664E+01    0.85896E+00
+    0.38205E+01   -0.14065E+01   -0.63210E+00
+    0.86481E+00    0.12278E+01   -0.34614E+01
+   -0.37116E+01   -0.25523E+00   -0.91230E+00
+   -0.23381E+01    0.27232E+01   -0.89890E+00
+   -0.13017E+01   -0.15996E+01   -0.32350E+01
+    0.41704E+01   -0.57871E+00   -0.55369E+00
+    0.34521E+01    0.15517E+01    0.10506E+01
+    0.31667E+00    0.23253E+01   -0.29860E+01
+    0.36862E+01    0.27503E+00    0.36850E+00
+    0.16936E+01    0.28186E+01   -0.15700E+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
+    0.82055E+00    0.14149E+01   -0.11953E+01
+    0.56696E+00   -0.19898E+01    0.52729E+00
+    0.55316E+00    0.28770E+01    0.16547E+01
+    0.65188E+00   -0.16791E+01   -0.48988E+00
+    0.25355E+01    0.27199E+00   -0.83360E+00
+   -0.18887E+00    0.33865E+01    0.11441E+01
+    0.16880E+01   -0.10241E+01    0.10322E+01
+    0.11449E+01    0.21635E+01    0.12118E+01
+    0.68143E+00    0.16062E+01   -0.99859E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.92497E+00   -0.11068E+01    0.44190E-01
+   -0.26778E+00   -0.12807E+01    0.15549E+00
+   -0.16873E+00    0.99117E+00    0.82824E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.48516E+00   -0.32373E+01   -0.26146E+00
+    0.96090E-01   -0.13245E+01    0.47734E+00
+   -0.32176E+00    0.10788E+01    0.83365E+00
+   -0.16037E+00   -0.13383E+01   -0.59753E+00
+   -0.89597E+00    0.70251E+00    0.60855E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x