[gmx-users] How to mdrun -rerun part of the trajectory

David spoel at xray.bmc.uu.se
Thu Nov 17 00:39:07 CET 2005


On Wed, 2005-11-16 at 14:29 -0800, Tanping Li wrote:
> Dear all,
> 
> I run a long trajectory and use mdrun -rerun to analys
> it. By a mistake, I didn't get the result from last
> 500ps. Could I just mdrun -rerun the last 500ps? I
> don't want to mdrun -rerun the whole trajectory again.
> Any suggestion? Thank you very much.
use tpbconv to create a continuation trajectory and run that.
> 
> 
> Best
> Tanping  
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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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