On 4/15/13 12:08 PM, Steven Neumann wrote:
And last question:
Are these minimum distances averaged over the simulation time? Cannot find
any equation the way it is calculated... in Manual its written:
This minimum distance between two residues Ai and Aj is defined as the
smallest distance between any pair of atoms (i 2 Ai, j 2 Aj ). The output
is a symmetrical matrix of smallest distances between all residues.
And nothing else...
The question is answered by reading g_mdmat -h.
-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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