Xavier.Periole at physbio.mssm.edu
Thu Sep 11 17:54:01 CEST 2003
Yes, that what I observed also: decrease of the surface area when
switching from cutoff to PME. It is also dependent of the size of your
Why would you expect an increase ?
On Thursday, September 11, 2003, at 09:46 am, T. Zaraiskaya wrote:
> hi all,
> i wonder if someone can give me references where GROMOS and/or GROMACS
> were used and the influence of different cutoffs on a lipid
> bilayer properties (like area per lipid, Scd... ) were studied??
> my simulations show that switching from twin-range
> cutoff to PME results
> in a decrease of surface area. i would expect that
> area will increase. Or is it a ff dependent?
> Tanya Zaraiskaya
> Physics Department
> University of Guelph
> Guelph, ON, N1G 2W1
> email:tz at physics.uoguelph.ca
> phone:(519)824-4120 x58346.
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