[gmx-users] Handy insertion of multiatomic particles

[Justin Lemkul]

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

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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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