[gmx-users] to find out number of solvent molecules within certain radius of the protein
shivangi.nangia at gmail.com
Wed Jul 27 00:39:36 CEST 2011
Where can I find the documentation for g_select?
On Tue, Jul 26, 2011 at 6:07 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> shivangi nangia wrote:
>> Dear gmx-users,
>> I wish to calculate the number of solvent molecules within certain radius
>> of the protein all through the trajectory.
>> Is there any utility available with gromacs to do so?
> Dynamic selections can be made with g_select.
> 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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