X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2Ffort.2;h=a6c4dcc0bb3d8bb38de6dd6a021d5d102a06f363;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=c8b32dbb92c51c5ba33d35a9a030a68669fa410a;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/fort.2 b/examples/unres/new/microcanonical/VTS/ff_1l2y/fort.2 index c8b32db..a6c4dcc 100644 --- a/examples/unres/new/microcanonical/VTS/ff_1l2y/fort.2 +++ b/examples/unres/new/microcanonical/VTS/ff_1l2y/fort.2 @@ -5,11 +5,11 @@ =================================== Timing =================================== - MD calculations setup: 1.17188E-02 - Energy & gradient evaluation: 2.59895E+02 + MD calculations setup: 3.90625E-03 + Energy & gradient evaluation: 2.66004E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 2.87613E+02 + MD steps: 2.98000E+02 ============================ End of MD calculation ===========================