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Hi,<br><br>Then you should use constraint pulling instead of an umbrella potential.<br>I have been wondering all the time why you are using a potential<br>and not a constraint. I think I had suggested using a constraint some<br>time ago, but I am not sure that I did.<br><br>Berk<br><br>> Date: Fri, 2 Oct 2009 09:45:42 +0200<br>> From: alexander.herz@mytum.de<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] direction_periodic<br>> <br>> Hey,<br>> <br>> I want to pull the diamonds with more or less exactly the speed I give<br>> for the pulling without the massive noise<br>> (in gromacs 3.3 this worked using afm type pulling, after some<br>> equilibration the slabs settled to an almost constant<br>> pull speed without soo much fluctuation using the same parameters I use<br>> noew for umbrella).<br>> So I tried using a constraint rather than umbrella, which alwas crashes<br>> at the first step (even if I did some equilibration<br>> using umbrella pulling beforehands).<br>> <br>> So how can I achieve a pull speed which is about constant 0.01 nm/ps and<br>> with fluctuations less than 10% of this speed?<br>> <br>> Thx,<br>> Alex<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/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 />See all the ways you can stay connected <a href='http://www.microsoft.com/windows/windowslive/default.aspx' target='_new'>to friends and family</a></body>
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