On 12/23/12 10:03 AM, IsaureCB wrote:
Dear gmx-users,
I would like to select, for each residue of a model, the residues that are
within 3.6 A in average over a simulation.
g_mdmat must create this information at some point while generating the
contact diagrams, but I would like to extract the real values before they
are discretized. I haven't found out how to do this. If sb has any idea or
suggestion, it might be very useful.
g_dist -dist will print this information.
-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
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