[gmx-users] g_spatial

Justin A. Lemkul jalemkul at vt.edu
Thu May 13 19:17:43 CEST 2010

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:


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.



> Thanks
> Nilesh


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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