[gmx-users] heme and TML

[Patricia Soto]

Hello everybody!

I have two questions:

1. For the HEME parameters we have in gromacs, which is the oxidation
state of Fe?

2. Does anybody have the topology for tri-methylated lysine?

(I have checked manuals and web page of gromacs and i have not found
answer to these questions...yet).

bye,

Patricia.


-- 
Drs. Patricia Soto

Biofysische Chemie		| Telefoon: 31.50.3634329
Rijksuniversiteit Groningen	| Fax:      31.50.3634800
Nijenborgh 4 9747 AG Groningen	| email: P.Soto at chem.rug.nl
Nederland			| http://md.chem.rug.nl/~soto/soto.html