<div dir="ltr">Work with groups and an index file, and define energy_groups in the mdp file also.<br>For indices, check make_ndx utility.<br>Omer.<br clear="all"> <br>Koby Levy research group,<br>Weizmann Institute of Science. <br>
FAX: 972-77-444-7905<br><a href="http://www.weizmann.ac.il/sb/faculty_pages/Levy/">http://www.weizmann.ac.il/sb/faculty_pages/Levy/</a><br>
<br><br><div class="gmail_quote">On Fri, Oct 2, 2009 at 20:31, Pradip Biswas <span dir="ltr"><<a href="http://biswas.pk">biswas.pk</a>@<a href="http://gmail.com">gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<span style="border-collapse: collapse;">Hi,<div><br></div><div>Anyone can please tell me whether there is any option in GROMACS to find forces between two groups (say for example, between two residues in a protein or between a peptide and a residue in a Protein for Protein-peptide interaction) or one need to workaround with the code to get that?<br clear="all">
<br></div><div>Thanks in advance.</div><div>Biswas.</div><div><br></div></span>
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