[gmx-users] interval simulation

soumadwip ghosh soumadwipghosh at gmail.com
Mon Jun 29 11:12:57 CEST 2015


Hi,
    Use tpbconv in connection with the -time to extend or -until flag. Here
you specify the time (10 ns in your case) by which you want to extend it.
The tpbconv tool will generate a new .tpr file corresponding to 10 ns (in
your case). Now, issue mdrun as below

mdrun_mpi -s new.tpr -v -deffnm your files to be appended -cpi x.cpt file
of yours ..

Hope it helps

Cheers
Soumadwip


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