[gmx-users] aliphatic hydrocarbon parameters

T. Zaraiskaya tz at disco.physics.uoguelph.ca
Tue Apr 16 01:03:06 CEST 2002

hello all,

i am using LCH2 and LCH3 atom types introduced in ffG43a2x for lipid
aliphatic chains;
which function should i use for proper dihedrals in lipid chains?
func 1 and gd_17 from ffG43a2xbon.itp or
func 3 Ryckaert-Bellemans.?

2) ffG43a2x is it the same as 45A3 from  J.Comp.Chem. 22(11) 1205-1218 ?

thanks in advance,
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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