[gmx-users] Salt bridge observation

Justin Lemkul 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.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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