[gmx-users] Genbox - Removal of Unwanted Waters

Arneh Babakhani ababakha at mccammon.ucsd.edu
Mon May 8 19:19:58 CEST 2006

Thanks for the input.  Is there a way to restrict the water from a 
certain space (in other words, to confine it a certain location)?



David van der Spoel wrote:
> Arneh Babakhani wrote:
>> 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!)
> genbox 3.3.1 has an option to set the maximum number of waters.
>> Thanks,
>> Arneh
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