On 4/15/13 9:59 AM, Steven Neumann wrote:
Dear Gmx Users,
I want to calculate a distance matrix of each amino acid (1, 2, ...25)
averaged over simulation time with all amino acids. So matrix of
25x25:
1) is there a tool which can do this or just the use of g_dist fof 600
(25x25 - 25) times?
2) Would you recommend any nice visualisation tool (bioinformatic
software) to obtain colorful matrix?
g_mdmat does all of this.
-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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