On 2/11/13 6:15 PM, ram bio wrote:
Dear Gromacs Users,
I have a run a MD simulation on protein bound with ligand and ions
using Gromacs 4.5.4. I am able to calculate the distances between ions
and coordinating residues using g_dist. The output is in the form of
xvg file, but I am looking for the occupancy for a cut off distance
(3.5 Å) between ion and a particular residue atom during simulation.
Please suggest.
g_dist -dist 0.35
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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 gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
