[gmx-users] Genbox - Removal of Unwanted Waters
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,
>> 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.
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