[gmx-users] to find out number of solvent molecules within certain radius of the protein

[Justin A. Lemkul]

shivangi nangia wrote:
> Hi,
> 
> Where can I find the documentation for g_select?
> 

Manual section 8.1.2 or g_select -h.  For specific usage examples search the 
list archive (there are a number of posts on related topics) or:

g_select -select "help all"

-Justin

> Thanks,
> SN
> 
> 
> 
> On Tue, Jul 26, 2011 at 6:07 PM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto: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
> 
>     -- 
>     ==============================__==========
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     <tel:%28540%29%20231-9080>
>     http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
>     <http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
> 
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-- 
========================================

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

========================================