[gmx-users] can we schedule it?
mailmd2011 at gmail.com
Tue Feb 12 15:45:48 CET 2013
I've got a question for setting of .mdp file for MD productions. The
.trr file is really huge if we are going to run longer MD simulations.
In this case, I usually only consider generate .xtc file, but the
velocity is missed for all steps except the last one.
So I am just wondering, can specify some parameters in the .mdp file
so that Gromacs can export a .gro file with velocity information every
thank you very much
More information about the gromacs.org_gmx-users