[gmx-users] Re: Extending the simulation

bharat gupta bharat.85.monu at gmail.com
Fri Feb 11 10:10:54 CET 2011


I extended by 3ns simulation by 2 more ns ... i.e total 5 ns but the .xtc
file shows only the 3ns trajectories and after checking the md.log file ,
its showing that it completed those 2 ns steps also... then how can I get
the trajectory for those 2ns ... I used the following commands for extending
the simulation ...

tpbconv -s previous.tpr -extend timetoextendby -o next.tpr
mdrun -s next.tpr -cpi previous.cpt

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