I am not referring to any drift of the whole system, but to the diffusion of the lipid bilayer only. Diffusion of molecules in water is to be expected given sufficient time. I wonder what is a reasonable restraint to keep the center of mass of the membrane at Z=0.0
-Jose On Wed, Feb 22, 2012 at 9:04 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > On 23/02/2012 10:26 AM, Jose Borreguero wrote: > > Dear GROMACS users, > > While simulating a DLPC membrane, I noticed that it tends to diffuse along > the normal (Z-axis) component. Is there a 'standard' restrain that is used > to prevent such diffusion? > The first option I thought was to restrain the center of mass of the > whole membrane along the Z-axis, but I don't know what is a reasonable > value for the force constant. > If anyone has any experience dealing with this kind of problem, please do > reply. > > > Diffusion of the center of mass of the whole system is something that can > be removed by an existing mechanism. See manual 7.3.3 > > Mark > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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