[gmx-users] Salt bridge observation
jalemkul at vt.edu
Thu Apr 4 14:52:07 CEST 2013
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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