[gmx-users] megnesium -heme

Lieven Buts lieven at ultr.vub.ac.be
Sat Nov 15 09:43:01 CET 2003

On Friday 14 November 2003 19:36, Lakshmi Padmavathi wrote:
> how can i choose the parameters for the bond lenth and angle of megnisium
> instead of Iron.
> for example.
> N - Mg
> N-MG -N
> C-N-MG

The HIC-UP server has parameters for chlorophyll-a based on crystallography:

Lieven Buts
Department of Ultrastructure
Vrije Universiteit Brussel

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