[gmx-users] Handy insertion of multiatomic particles

[Dr. Vitaly Chaban]

Yes, I can....

Could you briefly explain the difference between -cp and -cs options?


On Sun, Mar 31, 2013 at 10:34 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
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