[gmx-users] hydrogen bonds of peptide with lipids

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Apr 17 17:11:46 CEST 2008

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,
there are no acceptor or donors listed for POPC. How can one change this
Have a look at g_hbond -h



Maria G.
Technical University of Denmark

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