[gmx-users] Genbox - Removal of Unwanted Waters

[Arneh Babakhani]

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)?

Thanks,

Arneh

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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>