Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / MD / Langevin / ff_gab / fort.2

diff --git a/examples/unres/new/MD/Langevin/ff_gab/fort.2 b/examples/unres/new/MD/Langevin/ff_gab/fort.2
new file mode 100644 (file)
index 0000000..d281a5a
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+++ b/examples/unres/new/MD/Langevin/ff_gab/fort.2
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+====================MD calculation start====================
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.19180E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    3.73914E+02
+
+
+============================  End of MD calculation  ===========================