[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes

rasoul nasiri nasiri1355 at gmail.com
Sat Apr 17 17:35:06 CEST 2010


Dear Justin,
Hello again

Thanks for the message. I want to increase the distance between solutes in
simulation box before MD simulation. How can I do it?

Rasoul

On Sat, Apr 17, 2010 at 5:16 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> rasoul nasiri wrote:
>
>> Dear All,
>> Hello
>>
>> I understand one can adjust distance of between solvent molecules by
>> genbox command and -vdwd  but I don't know, how do it between the solutes?
>>
>>
> Position your solutes using editconf -center, then add solvent.
>
> -Justin
>
>  Thanks for helping!
>>
>> Rasoul
>>
>>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> 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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