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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>My test posres systems work fine.<br><br>Could you send me your input files and tpr file?<br></div><br>Berk<br><br><hr id="stopSpelling">> Date: Thu, 2 Oct 2008 17:20:07 +0200<br>> From: jhub@gwdg.de<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] posres problem in 4.0_rc2. Bug in grompp?<br>> <br>> Hi,<br>> <br>> I have a system in which I apply a posres on one atom. During em or md I<br>> get an error that I never had before:<br>> <br>> -------------------------------------------------------<br>> Program mdrun, VERSION 4.0_rc2<br>> Source code file: mtop_util.c, line: 642<br>> <br>> Software inconsistency error:<br>> Position restraint coordinates are missing<br>> -------------------------------------------------------<br>> <br>> Grompp runs withouth errors. When stargting mdrun, I get the error.<br>> <br>> The error is most likely in grompp: When running an older CVS-grompp<br>> (from last July), mdrun(4.0) works fine. When using the 4.0-grompp with<br>> the 4.0-mdrun, the error occurs.<br>> <br>> Or do I miss something?<br>> <br>> cheers,<br>> Jochen<br>> <br>> <br>> <br>> <br>> <br>> <br>> <br>> <br>> -- <br>> ************************************************<br>> Dr. Jochen Hub<br>> Max Planck Institute for Biophysical Chemistry<br>> Computational biomolecular dynamics group<br>> Am Fassberg 11<br>> D-37077 Goettingen, Germany<br>> Email: jhub[at]gwdg.de<br>> Tel.: +49 (0)551 201-2312<br>> ************************************************<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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