Daniela, Thanks for that tip. It looks like that won't help me, though, because I can't get it to write out the log file.
Jonathan ____________________________ Jonathan Moore, Ph.D. Research and Engineering Sciences - New Products Core R&D The Dow Chemical Company 1702 Building, Office 4E Midland, MI 48674 USA Phone: (989) 636-9765 Fax: (989) 636-4019 E Mail: [EMAIL PROTECTED] -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Daniela S. Mueller Sent: Wednesday, March 22, 2006 12:23 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] g_hbond question hi jonathan, the actually occuring hydrogen bonds are listed in the log-file. daniela On Tue, 2006-03-21 at 14:56 -0800, Moore, Jonathan (J) wrote: > I created a hydrogen bond map using g_hbond of version 3.3. The > manual indicates that for the hbmap the "Ordering is identical to that > in -hbn index file." However, in my case, the hbmap file contains 13 > hydrogen bond indices, but the hbond.ndx file lists 20 sets of donors > and acceptors. Why the mismatch? How do I know which hydrogen bonds > are represented in the map? > > Thanks, > Jonathan > > ____________________________ > Jonathan Moore, Ph.D. > Research and Engineering Sciences - New Products > Core R&D > The Dow Chemical Company > 1702 Building, Office 4E > Midland, MI 48674 USA > Phone: (989) 636-9765 > Fax: (989) 636-4019 > E Mail: [EMAIL PROTECTED] -- Daniela S. Mueller biologist (Diplom, German degree) ______________________________________________________________________ - Molecular Dynamics Group, UQ - Address: School of Molecular and Microbial Sciences (SMMS) Chemistry Building (#68) University of Queensland Qld 4072, Brisbane Australia Phone: +61-7-33653732 Website: http://ilc00f.facbacs.uq.edu.au/SMMS/a_mark/Front.htm ********************************************************************** - MD group, RuG - Address: Molecular Dynamics Dept. of Biophysical Chemistry University of Groningen Nijenborgh 4 9747 AG Groningen The Netherlands Website: http://www.rug.nl/gbb/md ______________________________________________________________________ _______________________________________________ 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
