[gmx-users] cutoffs/PME

[T. Zaraiskaya]

 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.