ANINDITA GAYEN wrote:
I have suffering from a problem with dmpc bilayer simulation at 300K
with oplsaa-berger combination that is showing area of 50nm2 after 1.5
ns from g_energy and g_traj.
Is this the problem? If so, then you need to tell us what you're
expecting and why. Is the number consistent with what you can observe
visually? We don't read minds :-)
I have used half-epsilon double pairlist
method. the itp and mdp files are attached with. However editconf again
showing the correct box vectors after 1.5 ns, that was 6.176 6.167 9.008
the md.mdp file is
title = bilayer MD DMPC PURE
cpp = /usr/bin/cpp
define = -DMPCPOSRES
This line is probably not doing what you intended. See
http://wiki.gromacs.org/index.php/grompp
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
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
