On 3/31/13 4:26 PM, Dr. Vitaly Chaban wrote:
Dear All -
Does Gromacs possess a convenient utility to [randomly] substitute solvent
particles by given number of multiatomic solutes?
No, but you can easily add the number of solutes you need with genbox -ci -nmol
and then solvate afterwards.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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