[gmx-users] on tpbconv
ramadavidgroup at gmail.com
Sun Sep 30 10:14:39 CEST 2012
Yes it will work ..
Just at the time of mdrun add -cpi ....cpt ( prvious cpt file )
With best wishes and regards..!!
On Sun, Sep 30, 2012 at 8:48 AM, Acoot Brett <acootbrett at yahoo.com> wrote:
> Dear All,
> for my original MD, based on mdp file the total time is 500 ps. After it
> finished, I have decided to extend the MD run to 2.5 ns.
> I think the following command should be used:
> tpbconv -s original500ps.tpr -extend 2000 -o md-0.5ns-to-2.5ns.tpr
> But as for in the original mdp file the total time is 500 ps,is the
> "-extend 2000" workable in the "tpbconv -s original500ps.tpr -extend 2000
> -o md-0.5ns-to-2.5ns.tpr"? Do I need to change the total time in the
> original mdp file from 500 ps to 2000 ps or a time period longer than 2000
> ps, after the original 500 pd finished, in order to make "tpbconv -s
> original500ps.tpr -extend 2000 -o md-0.5ns-to-2.5ns.tpr" workable?
> I am looking forward to getting your reply.
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