[gmx-users] aliphatic hydrocarbon parameters

T. Zaraiskaya tz at disco.physics.uoguelph.ca
Tue Apr 16 01:47:35 CEST 2002

> >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.?
> >
> Definitely Ryckaert-Bellemans. Actually, the Kuwajima potential is
> probably even slightly better, but that difference isn't large.

i am confused.... there are no R-B parameters/coefficients in ffG43a2x.tgz ??

can i get the full reference of Kuwajima's paper ?


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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