[gmx-users] Salt bridge observation
hmkvsri at gmail.com
Thu Apr 4 11:18:57 CEST 2013
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.
On Thu, Apr 4, 2013 at 2:25 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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