Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / MD / Langevin / ff_1l2y / fort.2

diff --git a/examples/unres/new/MD/Langevin/ff_1l2y/fort.2 b/examples/unres/new/MD/Langevin/ff_1l2y/fort.2
new file mode 100644 (file)
index 0000000..9e06a6e
--- /dev/null
+++ b/examples/unres/new/MD/Langevin/ff_1l2y/fort.2
@@ -0,0 +1,20 @@
+ Start reading THETA_PDB
+ End reading THETA_PDB
+====================MD calculation start====================
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    3.80863E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.57230E+02
+
+
+============================  End of MD calculation  ===========================
+setup:    0.00000E+00
+                               MD steps:    4.57145E+02
+
+
+============================  End of MD calculation  ===========================