[gmx-users] Non standard amino acids.

[Mark Abraham]

david.lisgarten at canterbury.ac.uk wrote:
> Dear Users,
> 
> We want to run gromacs molecular dynamics for a molecule which contains
> the
> following non standard amino acids: D-MeVal and L-Nva (norvaline) How
> may we proceed to
> parameterise these residues to include in the appropriate force field.
> (ffG43a2.rtp). We would be grateful for any information on how to get
> started.

The standard advice is here 
http://wiki.gromacs.org/index.php/Parameterization

Mark