X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2Ffort.2;h=c8b32dbb92c51c5ba33d35a9a030a68669fa410a;hb=d5f5162b182a8b2f7a40d50b6877beb2a52297bc;hp=e74d2d9edd6a1f7a88391e7a76574b5bf673a610;hpb=0159dffb0c6ab8021f45dc01794d77b091499a4d;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 e74d2d9..c8b32db 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: 1.56250E-02 - Energy & gradient evaluation: 4.82457E+02 + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 2.59895E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 5.41137E+02 + MD steps: 2.87613E+02 ============================ End of MD calculation ===========================