Q733 wrote: > Dear gmx-users, I used anisotropic p-coupling for lipid bilayers and > annealed the system from 330K-300K at the ratio of 2 degree/ns.And the x > dimension and y dimension increased with time in the whole > procedure, but actually the area/lipid should decrease when tempreture > decreases. I think there may due to the P couple parameters I used. Now > I write them here: > > tau_p = 2.0 2.0 2.0 0 0 0 > compressibility = 4.5e-6 4.5e-6 4.5e-6 0 0 0 > ref_p = 1 1 1 1 1 1 > > Is there anything wrong with my parameter? or should I use > > > ref_p = 1 1 1 0 0 0 > > I saw someone use this ref_p before.
tau_p and ref_p only take one parameter. The form for compressibility varies with pcoupletype. See manual section 7.3.14 Mark _______________________________________________ gmx-users mailing list [email protected] http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
