[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes
nasiri1355 at gmail.com
Sat Apr 17 17:35:06 CEST 2010
Thanks for the message. I want to increase the distance between solutes in
simulation box before MD simulation. How can I do it?
On Sat, Apr 17, 2010 at 5:16 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> rasoul nasiri wrote:
>> Dear All,
>> 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.
> Thanks for helping!
> 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
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