[gmx-users] extending simulation

priya thiyagarajan priya.thiyagarajan09 at gmail.com
Mon Mar 19 11:26:55 CET 2012

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...

please help me with your answer..

Thanking you sir,
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