[gmx-users] hydrogen bonds of peptide with lipids

[chris.neale at utoronto.ca]

Are you using united atom lipids? If so, you may want to reconsider  
attempting this. If not, you'll be more likely to get further  
assistance if you provide quite a bit more information and demonstrate  
that you invested some time trying to solve this.

-- original message --

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:

[Hide Quoted Text]
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