X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_gab%2Ffort.2;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_gab%2Ffort.2;h=f486b2a70bee7107ddbfb214b84b332eeae3989d;hb=d5f5162b182a8b2f7a40d50b6877beb2a52297bc;hp=0000000000000000000000000000000000000000;hpb=0159dffb0c6ab8021f45dc01794d77b091499a4d;p=unres.git diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/fort.2 b/examples/unres/new/microcanonical/VTS/ff_gab/fort.2 new file mode 100644 index 0000000..f486b2a --- /dev/null +++ b/examples/unres/new/microcanonical/VTS/ff_gab/fort.2 @@ -0,0 +1,13 @@ +====================MD calculation start==================== + + +=================================== Timing =================================== + + MD calculations setup: 1.95312E-02 + Energy & gradient evaluation: 2.52324E+02 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 + MD steps: 2.78785E+02 + + +============================ End of MD calculation ===========================