[gmx-users] cutoffs/PME

T. Zaraiskaya tz at helios.physics.uoguelph.ca
Thu Sep 11 15:47:01 CEST 2003

 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?


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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