<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>On Apr 16, 2010, at 12:20 PM, Florian Dommert wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hello,<div><br></div><div> I have a question regarding the dihedral section in a topology file. If I define two parameters sets for the same dihedral, are the energies added up or is the first one replaced by the second one ? Unfortunately there is no sentence in the manual regarding this.</div></div></blockquote>Depends if you define it in the topology file or in the parameter file. </div><div>In the topology file the sum would be used.</div><div>In the parameter file I would think only one would be used ... no idea </div><div>which but you could check this for a simple system and looking at </div><div>the tpr file using gmxdump.</div><div><br></div><div>XAvier</div><div><blockquote type="cite"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><br></div><div>Cheers,</div><div><br></div><div>Flo</div><div><br></div><div><br><div> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; 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"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>--</div><div>Florian Dommert</div><div>Dipl.-Phys.<br><br>Institute for Computational Physics<br><br>University Stuttgart<br><br>Pfaffenwaldring 27<br>70569 Stuttgart<br><br>Phone: +49(0)711/685-6-3613<br>Fax: +49-(0)711/685-6-3658 <br><br>EMail: <a href="mailto:dommert@fias.uni-frankfurt.de">dommert@icp.uni-stuttgart.de</a><br>Home: <a href="http://fias.uni-frankfurt.de/~simbio/Florian_Dommert">http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert</a></div></div></div></div></div></div></div></span></div></span></div></span></div></span></span> </div> <br></div></div>-- <br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at http://www.gromacs.org/search before posting!<br>Please don't post (un)subscribe requests to the list. 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