[gmx-users] g_mmpbsa time
rjdkmr at gmail.com
Fri Oct 16 11:56:51 CEST 2015
You may use -dt as option in g_mmpbsa. For example, -dt 600 or -dt 120 .
On Thursday, September 17, 2015 at 7:41:25 AM UTC+2, elham wrote:
> Dear users
> i simulated a system for 30 nano-seconds(dt=2fs) and my frame was 6 ps
> for binding free energy computations by g_mmpbsa method in gromacs, my
> computations took a long time
> is it correct?
> can i change my simulation time in *mdp* file for *tpr* production for
> using in g_mmpbsa calculations or it s equal to the time of my
> siulation ???
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