[gmx-users] atomic charges

[T. Zaraiskaya]

hi all,
i am using 43A2x parameter set for lipid topology;which method would be
better to use for atomic charge calculations to keep charges consistent
with gromos96 FF? Merz-Kollman, Mulliken,CHelpG....
the geometry of the lipid was optimized with a rhf/6-31Gd basis
set (gaussian98)

tanya,
-- 
====================================
Tanya Zaraiskaya
Physics Department
University of Guelph
Guelph, ON, N1G 2W1
CANADA
email:tz at helios.physics.uoguelph.ca
phone:(519)824-4120 x8346.