[gmx-users] selecting part of a trajectory

Xavier Periole x.periole at chem.rug.nl
Mon Jul 19 15:47:38 CEST 2004

Bamidele Adisa wrote:

> hi,
> i have a trajectory for an md simulation i did on a polymer in water.
> i'm interested in only the trajectory of the polymer.
> how do i go about selecting only the polymer's trajectory from the 
> overall trajectory?
> thanks
> dele
> _____

use an index generated with make_ndx -f conf.gro ....

trjconv -f traj.xtc -n index.ndx -o traj-polytruc.xtc



   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole

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