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
