On 4/4/13 5:18 AM, Kavyashree M wrote:
Ok. Still the distance is beyond the mentioned
cut-off. The distance of both OD1 and OD2 of
ASP is more than 4 Ang from NH2 of Arg.
The cutoff is applied per group, not per atom within the group, IIRC. So if the
charge group at any time comes closer than 0.4 nm, you get an output file for it.
-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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