[gmx-users] Salt bridge observation

Justin Lemkul jalemkul at vt.edu
Thu Apr 4 10:55:51 CEST 2013

On 4/4/13 4:34 AM, Kavyashree M wrote:
> Sir,
> 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


More information about the gromacs.org_gmx-users mailing list