[gmx-users] set gen_vel
Jair
jair at iq.ufrj.br
Tue May 24 20:43:44 CEST 2005
When I restart a md run I use the following command:
% tpbconv -s topol.tpr -f traj.trr -e md.edr -n index.ndx -time xxx.x -o
restart.tpr
and
% mdrun -s restart.tpr -o traj2.trr -c prot2.gro -g md2.log -e md2.edr
But in the the initial md.mdp file I set gen_vel = yes
Restarting a simulation in this way is like starting a new one? Should I run
grompp again?
Thanks
JJVC
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