[gmx-users] hydrogen bonds of peptide with lipids

[maria goranovic]

Yes, I looked into that. But could not find any information about how to
include new acceptor or donor atoms. Could you please be more specific ?
Thank you !

On Thu, Apr 17, 2008 at 12:34 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

> Quoting maria goranovic <mariagoranovic at gmail.com>:
>
> > Dear All,
> >
> > Where are the donor and acceptor atoms defined for the g_hbond analysis
> ? I
> > was trying to calculate h-bonds between a peptide and a popc bilayer,
> but
> > there are no acceptor or donors listed for POPC. How can one change this
> ?
>
> Have a look at g_hbond -h
>
> -Justin
>
> >
> > Sincerely,
> > -Maria
> >
> > --
> > Maria G.
> > Technical University of Denmark
> > Copenhagen
> >
>
>
>
> ========================================
>
> Justin A. Lemkul
> Graduate Research Assistant
> 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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-- 
Maria G.
Technical University of Denmark
Copenhagen
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