[gmx-users] Re: atom numbering

dariush d.mohammadyani at gmail.com
Fri Aug 17 17:27:04 CEST 2012


Thank you dear Justin!
Dariush



On Fri, Aug 17, 2012 at 11:04 AM, Justin Lemkul [via GROMACS] <
ml-node+s5086n5000298h82 at n6.nabble.com> wrote:

>
>
> On 8/17/12 10:41 AM, dariush wrote:
> > genconf -renumber works well for renumbering. However, after
> minimization
> > of that renumbered .gro file, I have previous numbering.
> >
>
> You always will.  The numbering is read from the topology, so simulation
> output
> will always be numbered that way and you will have to renumber anything
> you want
> to visualize.
>
> -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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