[gmx-users] atomic charges

T. Zaraiskaya tz at disco.physics.uoguelph.ca
Fri Mar 8 19:25:50 CET 2002

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

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