Besides that, searching through the gromacs user list with keywords like "distance" "restraints" "between" "molecules" would have given some good hits.<br><br>Tsjerk<br><br><div><span class="gmail_quote">
On 4/11/06, <b class="gmail_sendername">Mark Abraham</b> <<a href="mailto:mark.abraham@anu.edu.au">mark.abraham@anu.edu.au</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
> Hi,<br>><br>> I was just wondering if is possible, in gromacs to apply distance<br>> restraints<br>> between molecules. So I have two ligands (part of the same complex) that I<br>> would like to keep together, even though they are not actually bonded
<br>> together.<br><br>gromacs has a wonderful manual, in which there is a detailed section on<br>distance restraints. You having a quick look at the table of contents<br>would have saved 30 seconds of my life... I am sounding nicer about this
<br>than I feel! :-)<br><br>Mark<br><br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
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Groningen Biomolecular Sciences and Biotechnology Institute (GBB)<br>Dept. of Biophysical Chemistry<br>University of Groningen<br>Nijenborgh 4<br>9747AG Groningen, The Netherlands<br>+31 50 363 4336<br>