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Hi,<br><br>It's bugzilla 579:<br>http://bugzilla.gromacs.org/show_bug.cgi?id=579<br>Actually the title is wrong, the pressure was correct, the pressure scaling,<br>and thus the density, not.<br><br>Berk<br><br>> Date: Thu, 7 Oct 2010 12:28:15 +0200<br>> Subject: Re: [gmx-users] Re: Problem with pressure coupling<br>> From: ondrej.marsalek@gmail.com<br>> To: gmx-users@gromacs.org<br>> <br>> On Wed, Sep 29, 2010 at 21:56, David van der Spoel <spoel@xray.bmc.uu.se> wrote:<br>> ><br>> > After setting nstcalcenergy = 1 I get<br>> > Density 996.894 1.2 3.85083 1.86718 (kg/m^3)<br>> ><br>> > In other words the bug can be circumvented by setting this variable to 1. I<br>> > will file a bugzilla.<br>> ><br>> <br>> Is this bug in now? I can't find it in recent bugs, but perhaps I've<br>> missed it. If it is not in, should I file it?<br>> <br>> Regards,<br>> Ondrej<br>> -- <br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists<br> </body>
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