[gmx-users] OPLS: lipids + protein + water

[Rainer Boeckmann]

Hi,

only a short question - or better two:

(1) Did anybody simulate lipid bilayers using the Berger forcefield with 
the OPLS combination rules for the mixed LJ-parameters (instead of the 
GROMOS ones)? To what extent do the combination rules affect bilayer 
structure and dynamics?

(2) Has anybody compared bilayer properties (again Berger forcefield) 
using different water models, e.g., TIP4 / SPC?


thanks & cheers,
Rainer


___________________________________________________________
Dr. Rainer Böckmann
Computational Structural Biology - Biochemistry Department
University of Zürich
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
tel:    ++41-(0)1-63-555-93 - fax:    ++41-(0)1-63-568-62
email: rainer at bioc.unizh.ch
http://biocroma.unizh.ch/rainer/
___________________________________________________________