[gmx-users] extending simulation

Mark Abraham Mark.Abraham at anu.edu.au
Mon Mar 19 12:59:34 CET 2012

On 19/03/2012 9:26 PM, priya thiyagarajan wrote:
> hello sir,,
> initially i did my simulation for 10ns.. after getting result i 
> analysed it and thought of extending the simulation for another 10ns..
> i used following commands..
> tpbconv *-s md.tpr -o newmd.tpr -extend 10000.00*
> *mdrun -s newmd.tpr -o md3_2.trr -c md_2.gro -e md_2.edr -g md_2.log 
> -cpi state1.cpt -noappend*
> is it correct..
> we ll use tpbconv to extend the simulation which terminated in the 
> middle..
> is it correct to use the same command for completed run...

suggests you are correct.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120319/c71f8ff3/attachment.html>

More information about the gromacs.org_gmx-users mailing list