[gmx-users] Remove water from trajectory

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


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


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