[gmx-users] Genbox - Removal of Unwanted Waters

Arneh Babakhani ababakha at mccammon.ucsd.edu
Mon May 8 18:39:42 CEST 2006


Hello all,

How do you remove unwanted waters (or how do you prevent genbox from 
placing unwanted waters) after you solvate by genbox?

This problem was posted once before,
http://www.gromacs.org/pipermail/gmx-users/2005-December/018997.html

but it doesn't seem like it was resolved. Is there an easy way to do 
this (aside from going into the .gro file and manually deleting the 
unwanted waters!)

Thanks,

Arneh



More information about the gromacs.org_gmx-users mailing list