X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2FLangevin%2Fff_1l2y%2Ffort.2;fp=examples%2Funres%2Fnew%2FMD%2FLangevin%2Fff_1l2y%2Ffort.2;h=9e06a6e28a4bf0ba819e2e6dd971fa46f04344f9;hb=5a8c1962b1eafdefe5001ce9207372e68d31960a;hp=0000000000000000000000000000000000000000;hpb=ee9b6d7c3bd62a81233e4589fa26a3641622262f;p=unres.git

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
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  ===========================