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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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
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