[gmx-users] extending simulation
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
> is it correct to use the same command for completed run...
suggests you are correct.
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