[gmx-users] help with creating membrane

[Dinesh Pinisetty]

From:gmx-users-bounces at gromacs.org on 09/14/2004 04:01 PM ZE2


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To:   gmx-users at gromacs.org
cc:   (bcc: Dinesh Pinisetty/dpinis1/LSU)

Subject:    [gmx-users] help with creating membrane



Hi all
I have to create a lipid membrane but I have this problem. I have bilayer
of
lipids with something bigger 'area per lipid' parameter cause I want to
laterally compress them. But these lipids are just settled by genconf
program. I've tried to make the sd energy minimisation but when I used
periodic boundaries, the membrane exploded (or something like that), and if
I
not, whole membrane collapsed into a sphere. So if somebody has any
experiences with constructing membranes, I will be pleased if he/she will
share them. Especially I will be pleased by example .mdp files.
Thanks

Milan


What you do is start of with low values of box size for a single
molecule.Before using genconf itself you try to have a lower box size and
see that when multiplied it is accoeding to the area per
lipid..............
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