[gmx-users] Salt bridge observation
jalemkul at vt.edu
Thu Apr 4 10:55:51 CEST 2013
On 4/4/13 4:34 AM, Kavyashree M wrote:
> Why I mentioned NH2 CG saltbridge because the g_saltbr
> gives the charge group and does not mention the OD2 of ASP
> but mentions only CG. Otherwise it does not make any sense.
Now I remember how g_saltbr naming works. It measured distances between charge
groups, and the file names are based on the first atom in the charge group, so
"CG" indicates the gamma-carboxylate group of ASP, which includes both OD1 and OD2.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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