[gmx-users] center of mass motion in lipid bilayer

Jian Dai djpittdj at gmail.com
Thu Jan 11 21:54:25 CET 2007

Hello, everyone:
I have a  system which is composed of a lipid bilayer and water layers upon
each monolayers.
Now the problem is that after the simulation, the lipid bilayer shift upward
inside the simulation box , and makes the upper water layer thinner, while
the lower water layer thicker.
In mdp file I turned off the COM for SOL and LIPID separately, and as a
default, comm_mode=angular.
Do you have any idea?
Thank you in advance.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070111/6f293269/attachment.html>

More information about the gromacs.org_gmx-users mailing list