[gmx-users] cutoffs/PME

[Xavier Periole]

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
patch.

Why would you expect an increase ?

XAvier


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 
> ff
> 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?
>
> thanks,
>
>
> --
> ====================================
> Tanya Zaraiskaya
> Physics Department
> University of Guelph
> Guelph, ON, N1G 2W1
> CANADA
> email:tz at physics.uoguelph.ca
> phone:(519)824-4120 x58346.
>
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