iron sulphur cluster parametrization

From: francesco oteri (francesco.oteri_at_gmail.com)
Date: Thu Oct 06 2011 - 09:24:31 CDT

Dear NAMD users,

I've to simulate a protein with an 4Fe-4S and a 3Fe-4S iron sulphur cluster.

Lot of approaches are present in literature.
There are a lot of papers suggesting partial charges but very few clues
about bonded and not bonded parameters.
So i am wondering if any member of this mailing list can send me a link, a
file or some advice can be useful to
obtain the topology of a protein with the iron sulphur clusters.
It is worth noting that I am not interested in electronic properties so also
suggestions involving restraint are ok for me.

Francesco

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:24:27 CST