[gmx-users] extract output files
Anton Feenstra
feenstra at few.vu.nl
Thu Mar 3 08:00:32 CET 2005
Dinesh Pinisetty wrote:
>
>
>
> Hello,
> I need the .gro file only for the last frame i.e 12ns. Will
> trjconv -f traj.xtc -b 11999 -e 12000 -o conf.gro work out.
> Thank you.
Try 'trjconv -f traj.xtc -o conf.gro -dump 12000'. That will write the
frame at 12 ns to conf.gro. As Dallas mentioned, you can use your
original .tpr file, since the topology and forcefield information it
contains does not change during the simulations (obviously).
--
Groetjes,
Anton
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