[gmx-users] g_mmpbsa time

[rajendra kumar]

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 ???
> regards
>