[gmx-users] fixed dihedrals

[Christoph Freudenberger]

Anton Feenstra wrote:
> But, what I actually meant is a *new* type of constraint that projects
> atoms back onto a pre-defined plane, like shake/lincs project atoms
> back onto the bond at the right distance.

No idea how easy/difficult that might be and which consequences
might arise from that kind of construstions.

BTW... how is this implemented in other MD-Packages?
I frequently read in the comp. sections of MD-papers that
the molecules have been kept rigid using shake (or whatever) with no
further details given. Is this always a distance based approach
like in gromacs, or are there dihedral/planar constraints already
implemented?

regards
-- 
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785