New examples based on current version of UNRES.

[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
index 9e06a6e..24c4765 100644 (file)
--- a/examples/unres/new/MD/Langevin/ff_1l2y/fort.2
+++ b/examples/unres/new/MD/Langevin/ff_1l2y/fort.2
@@ -5,16 +5,16 @@
 
 ===================================  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
+                  MD calculations setup:    3.90625E-03
+           Energy & g
 
+===================================  Timing  ===================================
 
-============================  End of MD calculation  ===========================
-setup:    0.00000E+00
-                               MD steps:    4.57145E+02
+                  MD calculations setup:    3.90625E-03
+           Energy & gradient evaluation:    3.80586E+02
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    4.56855E+02
 
 
 ============================  End of MD calculation  ===========================