[gmx-users] Remove water from trajectory

Anirban Ghosh reach.anirban.ghosh at gmail.com
Fri Apr 30 10:14:10 CEST 2010


Hi ALL,

I just want to convert my trajectory (.trr) to a compressed .xtc format
after removing water from it. "trjconv" has to be used for this. I just want
to know should I use an index file to exclude the water from the trajectory
or is there any other option to be given with trjconv to write out a
trajectory without water? Any suggestion is welcome. Thanks a lot in
advance.

Regards,

Anirban
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100430/19b3199a/attachment.html>


More information about the gromacs.org_gmx-users mailing list