[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
--
----------------------------------------------
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
----------------------------------------------
More information about the gromacs.org_gmx-users
mailing list