[gmx-users] Re: REMD restarts

[Ken Rotondi]

This bounced after accidently sending to gmx-developers-request

On Aug 2, 2005, at 4:40 PM, Ken Rotondi wrote:

> Hi all,
>
> Forgive me for asking, since this seems obvious, but to re-start a 
> finished or crashed REMD run would I use the following?
>
> tpbconv -s topol0(original).tpr -f run.trr -e run.edr -o 
> topol0(restart).tpr -time (frame I want to restart from) -until (how 
> far I want to run)
>
> repeated for the number of .tpr files I have
>
> followed by
>
> mpirun -np (#tprfiles) mdrun -multi etc.
>
> Again, it seems obvious, but I'd like conformation...
>
> Thanks as always,
>
> Ken
>
>
> K.S. Rotondi Ph.D.
> Research Fellow
> The Gierasch Laboratory
> Department of Biochemistry and Molecular Biology
> University of Massachusetts-Amherst
> Phone: 413-545-1250
> Fax;      413-545-3291
>