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
--
========================================
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
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
