[gmx-users] martini lipids self-assembly pressure coupling

Gmx QA gmxquestions at gmail.com
Tue Dec 20 13:04:59 CET 2016


Hi all

I am running a simulation with martini lipids with the lipids initially
placed randomly together with W solvent in a box. What pressure control do
I apply?

I have tried isotropic, since the system indeed is isotropic initially, but
I don't see formation of a bilayer, rather multiple layers of lipids and/or
cylindrical weird structures. Going anisotropic always deforms the box, it
becomes longer and longer in z until almost infinity. Semi-isotropic is
correct for bilayers obviously, but can I use that before the bilayer is
formed?

Thanks
/PK


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