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 !<br><br><div class="gmail_quote">On Thu, Apr 17, 2008 at 12:34 PM, Justin A. Lemkul <<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="Ih2E3d">Quoting maria goranovic <<a href="mailto:mariagoranovic@gmail.com">mariagoranovic@gmail.com</a>>:<br>
<br>
> Dear All,<br>
><br>
> Where are the donor and acceptor atoms defined for the g_hbond analysis ? I<br>
> was trying to calculate h-bonds between a peptide and a popc bilayer, but<br>
> there are no acceptor or donors listed for POPC. How can one change this ?<br>
<br>
</div>Have a look at g_hbond -h<br>
<br>
-Justin<br>
<div class="Ih2E3d"><br>
><br>
> Sincerely,<br>
> -Maria<br>
><br>
> --<br>
> Maria G.<br>
> Technical University of Denmark<br>
> Copenhagen<br>
><br>
<br>
<br>
<br>
</div>========================================<br>
<br>
Justin A. Lemkul<br>
Graduate Research Assistant<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a> | (540) 231-9080<br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/</a><br>
<br>
========================================<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Maria G.<br>Technical University of Denmark<br>Copenhagen