[gmx-users] Dynamics of non-protein molecules.
ohtya at chem.uni-sofia.bg
Tue Feb 1 23:04:40 CET 2011
I'm trying to use gromacs for molecular dynamics of surfactant micelles
formation and dissolution.
While reading User's manual and some beginners tutorials some questions
and problems occur.
1. Is there some software for creating .pdb or .top file for non
proteins molecules like surfactants (SDS,LAS,AOT, Tween's) or I have to
make them by hand?
2. Do I have to do something special to allow surfactant molecules to
move freely towards each other or to take apart?
3. Does any body see any other potential pitfalls in such type of
Department of Chemical Engendering
More information about the gromacs.org_gmx-users