[gmx-users] How can I record only molecule trajectory ?

[David van der Spoel]

Chih-Ying Lin wrote:
> Hi
> The command
> mdrun  -o   traj.trr  -x  traj.xtc
> 
> and then, the two files, traj.trr or traj.xtc will record the
> trajectory of all the molecules of the simulated system.
> 
> 
> How can I record only molecule trajectory with some command?
> 
If you mean protein only then check either trjconv or xtc_grps (mdp 
options).
> 
> Thank you
> Lin
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se