[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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|  _   _  ___,| K. Anton Feenstra                                     |
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