Hi, gromacs users I've a little question about the pulling procedure at constant rate. I defined pull and reference group both constituted by 18 atoms. My problem is to define the spring value in .ppa file. Given that my groups have N atoms, how do I choose a suitable spring value quantitative relation (e.g K= kb*T/dx^2...suitable if pull group is constituted by 1 atom) in order to limit the thermal motion of the pull group COM to, say, 0.1 nm?
Marco _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
