----- Original Message ----- From: Gianluca Interlandi <[EMAIL PROTECTED]> To: Discussion list for GROMACS users <gmx-users@gromacs.org> Sent: Tuesday, May 02, 2006 1:32 PM Subject: Re: [gmx-users] Hydrogen bonds with version 3.3.1
> > > > The hbond program is rather complex, but the hbond criterion itself is not > > > > (but note that the definition of the angle has changed from 3.2.1 to 3.3, > > > > from > > > > AHD to ADH). > > > > > > This hasn't been clear to me as the online documentation says DHA: > > > > > > -a real 30 Cutoff angle (degrees, Donor - Hydrogen - Acceptor) > > > > in that case you're running an old version of gromacs. Try > > which g_hbond > > I'm using version 3.3.1 (gromacs-3.3.1-1.i386.rpm). I was refering to the > online documentation: > > http://www.gromacs.org/documentation/reference_3.3/online/g_hbond.html > > Gianluca > > ----------------------------------------------------- > Dr. Gianluca Interlandi [EMAIL PROTECTED] > +1 (206) 685 4432 > +1 (206) 714 4303 > http://biocroma.unizh.ch/gianluca/ > > Postdoc at the Department of Bioengineering > at the University of Washington, Seattle WA U.S.A. > ----------------------------------------------------- > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
