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Hi,<br><br>I think the manual is pretty clear on this:<br>constraints:<br>none<br>No constraints except for those defined explicitly in the topology, i.e. bonds are represented<br>by a harmonic (or other) potential or a Morse potential (depending on the<br>setting of morse) and angles by a harmonic (or other) potential.<br><br>Berk<br><br>> Date: Sat, 16 May 2009 12:04:09 +1000<br>> From: Mark.Abraham@anu.edu.au<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] Constraints specified in .mdp as well as in .top files<br>> <br>> Vishwanath Dalvi wrote:<br>> > Thank you for your response. I am still unclear as to how the whole <br>> > thing works (and the manual is no help). <br>> > <br>> > If I do specify (in the .mdp file) something like constraints = <br>> > all-bonds, will that override the harmonic-bond interactions specified <br>> > in the .itp files? <br>> <br>> Don't know. Check the manual, or try it and see. Either your .log file <br>> output or inspection of gmxdump of your .tpr might be useful here.<br>> <br>> Mark<br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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