[gmx-users] Rerun

[David]

On Mon, 2005-09-12 at 16:45 +0000, Eva Priego wrote:
> Hi gromacs users,
> 
> By mistake, I have kill my md simulation and I would like to finish it.
> 
> I have use tpbconv to generate the tpxout.tpr file but I have a doubt.
> 
> Do I have to use the same md.mdp file to continue just using this new
> tpxout.tpr as input?. 
Just feed the tpr file to mdrun and use trjcat and eneconv to
concatenate your output files.
> 
> I have been looking in the archives but there's nothing clear.
> 
> 
> 
> Thank you in advance
> ---------------------------------------
> 
> Dr. Eva Maria Priego
> 
> Department of Biochemistry. University of Cambridge
> 
> 80 Tennis Court Road. Cambridge CB2 1GA. U.K.
> 
> e-mail:evamaria at cryst.bioc.cam.ac.uk
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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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