[gmx-users] hydrogen bonds of peptide with lipids
mariagoranovic at gmail.com
Thu Apr 17 14:21:24 CEST 2008
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,
> > there are no acceptor or donors listed for POPC. How can one change this
> Have a look at g_hbond -h
> > 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
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Technical University of Denmark
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