[gmx-users] g_spatial

[Justin A. Lemkul]

Nilesh Dhumal wrote:
> Hello,
> I am trying to calculate spatial distribution function (SDF) for my system.
> I have defined the residue name of solute (its glucose, one glucose
> molecule) and solvent (its cations of ionic liquids, 128 cations) by group
> numbers.
> During the g_spatial calculation can I select this group numbers to define
> solute and solvent?
> 

Have you actually tried running g_spatial?  I even told you yesterday what 
groups to select for the calculation:

http://lists.gromacs.org/pipermail/gmx-users/2010-May/050879.html

If you want free help, please at least demonstrate that you've paid attention to 
the information you've already been given.  I also updated the wiki page for 
g_spatial to provide some additional information, I'd suggest you check it out 
if you're still having difficulties.

http://www.gromacs.org/Documentation/Gromacs_Utilities/g_spatial

-Justin

> 
> Thanks
> 
> Nilesh
> 
> 
> 
> 
> 
> 
> 

-- 
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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

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