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=24c4765b225f75424dce194494d674690d3b9b51;hb=39bffec2e960cdaa362c075425c0aa94bbd673c9;hp=9e06a6e28a4bf0ba819e2e6dd971fa46f04344f9;hpb=036e8e1e671a1293c1f636d9246e3dfd74f38ec1;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
index 9e06a6e..24c4765 100644
--- 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  ===========================