[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
> 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
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