[gmx-users] Removing water from a trajectory

Anirban Ghosh reach.anirban.ghosh at gmail.com
Wed Jul 14 08:54:43 CEST 2010


I have a system consisting of protein+lipid+ligand+water which has been
simulated for 10 ns. Now I want to make a compressed trajectory from the
original one by keeping only the protein and the ligand. I am trying to do
so by using trjconv with an index file. But every time trjconv is showing
the default options and I am not able to select the protein and the ligand
simultaneously to generate the output. How can I do this? Any suggestion is
Thanks a lot in advance.


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