You did suggest that, but it crashes at step 0, as said :) Alex
Berk Hess schrieb: > Hi, > > Then you should use constraint pulling instead of an umbrella potential. > I have been wondering all the time why you are using a potential > and not a constraint. I think I had suggested using a constraint some > time ago, but I am not sure that I did. > > Berk > > > Date: Fri, 2 Oct 2009 09:45:42 +0200 > > From: alexander.h...@mytum.de > > To: gmx-users@gromacs.org > > Subject: Re: [gmx-users] direction_periodic > > > > Hey, > > > > I want to pull the diamonds with more or less exactly the speed I give > > for the pulling without the massive noise > > (in gromacs 3.3 this worked using afm type pulling, after some > > equilibration the slabs settled to an almost constant > > pull speed without soo much fluctuation using the same parameters I use > > noew for umbrella). > > So I tried using a constraint rather than umbrella, which alwas crashes > > at the first step (even if I did some equilibration > > using umbrella pulling beforehands). > > > > So how can I achieve a pull speed which is about constant 0.01 nm/ps and > > with fluctuations less than 10% of this speed? > > > > Thx, > > Alex > > _______________________________________________ > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/search before > posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > ------------------------------------------------------------------------ > See all the ways you can stay connected to friends and family > <http://www.microsoft.com/windows/windowslive/default.aspx> > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
