[gmx-users] restarting simulations

[David]

On Tue, 2004-01-13 at 20:33, Milton Taidi Sonoda wrote:
> Hi all
> I want to restart a normal ended simulation trajectory,
> for instance, sim.trr.
> In order to continue it, every time do I will
> have to use
> #tpbconv -f sim.trr -s sim.tpr -o simres.tpr
> ?
> Is there a separate file with sites position and
> velocities from which mdrun could read and
> restart the simulation?
> 
confout.gro

And in the new version of tpbconv you could also add the -e flag for
real continuous simulations...

> [ ]'s
> Milton Taidi Sonoda
> 
> 
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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