[gmx-users] Re: atom numbering

dariush d.mohammadyani at gmail.com
Fri Aug 17 16:41:56 CEST 2012


genconf -renumber works well for renumbering. However, after minimization
of that renumbered .gro file, I have previous numbering.

Dariush

On Thu, Aug 16, 2012 at 5:54 PM, Justin Lemkul [via GROMACS] <
ml-node+s5086n5000267h21 at n6.nabble.com> wrote:

>
>
> On 8/16/12 5:22 PM, dariush wrote:
> > Dear All,
> >
> > I have bilayer system plus two proteins in my system. I numbered
> residues
> > manually, but after minimization number of residues for both protein 1
> and 2
> > starts from 1. It means in VMD when I am going to pick res. 3 (resid 3),
> it
> > will highlight two res. 3, one in protein 1 and one in protein 2.
> > Do you know how should I figure it out?
> >
>
> genconf -renumber
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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