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 / MD / Langevin / ff_gab / 1L2Y_MD_004.rst
diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst
new file mode 100644 (file)
index 0000000..648a39e
--- /dev/null
+++ b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst
@@ -0,0 +1,90 @@
+   200000.000002666        32.4441468421737       -48.7902540724328     
+  -16.3461072302591        300.000000000000     
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.36307E-01    0.38335E+00   -0.57601E-04
+   -0.27326E+00    0.18540E+00    0.45551E-01
+    0.24620E+00   -0.26949E+00   -0.86508E-02
+   -0.81899E-01    0.33247E-01   -0.27111E+00
+    0.23015E+00   -0.65137E-01    0.34464E+00
+   -0.29960E+00    0.18938E+00    0.96934E-01
+    0.31934E-01   -0.71144E-01   -0.20615E+00
+    0.13162E+00   -0.18178E+00    0.18160E+00
+   -0.12057E+00    0.18773E+00    0.45925E-01
+   -0.50154E-01    0.65117E-01   -0.20320E+00
+   -0.17635E-01   -0.17872E+00    0.82683E-01
+    0.22320E-01    0.29541E-01    0.13230E+00
+    0.15306E+00   -0.11951E+00   -0.28068E+00
+   -0.47281E-01    0.24341E+00    0.12366E+00
+    0.52209E-01   -0.16038E+00    0.50048E-02
+   -0.48221E-02    0.12960E+00    0.34000E-01
+   -0.10043E-01   -0.83336E-01   -0.24247E+00
+   -0.12099E+00   -0.16126E+00    0.63451E-01
+    0.19070E+00    0.22565E-01    0.19720E+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
+    0.41237E-01    0.21890E+00    0.74337E-01
+   -0.10556E+00   -0.14323E+00    0.80054E-02
+    0.99777E-01   -0.21900E+00   -0.66168E-01
+   -0.87021E-01   -0.20645E-01   -0.24645E-01
+   -0.30231E-03   -0.54701E-01    0.29069E+00
+   -0.16896E+00    0.73147E-01   -0.45242E-01
+    0.16971E-01   -0.16454E+00    0.42828E-01
+    0.12212E+00   -0.25680E+00    0.15068E-01
+   -0.91105E-01    0.79554E-01    0.11173E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.50145E-01   -0.29131E-01    0.41819E-01
+    0.14612E+00   -0.83789E-01   -0.15258E+00
+   -0.24312E+00    0.15527E+00    0.15808E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.24353E-01    0.40799E-01   -0.85959E-01
+   -0.99143E-01    0.79237E-01   -0.11194E+00
+   -0.43756E-02   -0.98850E-02    0.22778E+00
+    0.25210E+00    0.11308E+00    0.56026E-01
+   -0.11818E+00    0.85948E-01    0.86298E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.38000E+01    0.00000E+00    0.00000E+00
+    0.32204E+00    0.27263E+01    0.26876E+01
+   -0.22681E+01   -0.54789E+00    0.30535E+01
+   -0.26299E+00    0.17573E+01    0.33218E+01
+   -0.28016E+01   -0.23053E+01    0.10246E+01
+    0.22294E+01   -0.28793E+01   -0.11476E+01
+    0.25686E+01    0.13927E+01    0.23573E+01
+   -0.24620E+01   -0.33460E+00    0.28667E+01
+    0.44716E+00   -0.38720E+01    0.12265E+00
+    0.33293E+01    0.39797E+00    0.18738E+01
+    0.22147E+01    0.30355E+01   -0.45330E+00
+    0.21251E+01    0.47416E+00   -0.31581E+01
+    0.77618E+00   -0.37224E+01   -0.43715E+00
+   -0.33556E+01   -0.11448E+01   -0.13856E+01
+   -0.60598E-01   -0.21697E+01   -0.31209E+01
+   -0.23208E+00    0.28073E+01   -0.24568E+01
+    0.15552E+01    0.33814E+01   -0.73612E+00
+    0.13868E+00    0.25205E+01    0.28044E+01
+   -0.15560E+00    0.35522E+01   -0.14020E+01
+    0.46376E+00    0.16589E+01    0.33234E+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
+    0.96338E+00   -0.94670E+00   -0.99267E+00
+    0.62914E+00    0.10671E+01   -0.14188E+01
+   -0.10649E+00   -0.23513E+01   -0.91635E+00
+   -0.29263E+00    0.18050E+01    0.15549E+00
+   -0.21652E+01    0.54158E+00   -0.21571E+00
+    0.76649E+00   -0.23896E+01   -0.51173E+00
+    0.13479E+01    0.13235E+01    0.29914E+00
+   -0.20251E+01    0.12864E+01    0.96167E+00
+   -0.86156E+00   -0.71444E+00   -0.11999E+01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.79103E+00    0.60438E+00    0.90931E+00
+    0.44440E+00   -0.92827E+00   -0.42699E+00
+   -0.65428E+00    0.84743E+00   -0.42421E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.11660E+01    0.23785E+01    0.14980E+01
+   -0.10606E+01    0.98420E-01   -0.81244E+00
+    0.19376E+00   -0.10949E+01    0.78926E+00
+   -0.13840E+01    0.25677E-01   -0.11857E+00
+   -0.12828E-01   -0.69006E+00    0.94608E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x