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 <[EMAIL PROTECTED]> wrote: > Quoting maria goranovic <[EMAIL PROTECTED]>: > > > 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 > [EMAIL PROTECTED] | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ > > ======================================== > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Maria G. Technical University of Denmark Copenhagen
_______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
