[gmx-users] Still force field issues: dihedral angle parameters

Pedro Alexandre de Araujo Gomes Lapido Loureiro paloureiro at biof.ufrj.br
Wed Apr 3 18:51:26 CEST 2002

> > I think the remark was made for the RB dihedrals as they are used
> > in alkanes, where no 1-4 interactions are added.
> Sorry, but it is still not clear to me why 1-4 interactions are not added
> when
> simulating alkanes.
> Cheers, Pedro.

A reply to myself:
there is some interesting stuff about that subject in 
"Molecular dynamics simulation of NMR relaxation rates and slow dynamics in
lipid bilayers" - Erik Lindahl & Olle Edholm - submitted to J. Chem. Phys. 

Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica

More information about the gromacs.org_gmx-users mailing list