HEME and Cystein instead of His

From: Raul Araya (arayasecchi_at_gmail.com)
Date: Wed Nov 23 2011 - 13:10:36 CST

Dear NAMD users

Im interested in simulating a cytochrome protein whos HEME group is linked
to a CYS residue and not to a HIS.
I have found on the CHARMM topology files patches for linkinf the HEME
group to a HIS...

Does anybody nows or have the patch to link the HEME to a CYS?

I heard about a patch called FE2S that is supposed to link the HEME to a
CYS but I have not been able to find it....

How are the other HEME related patches used with autopsfgen?

Any help will be appreciated.

Raúl Araya Secchi
B.Sc Molecular Biotechnology.
Molecular Biotechnology Engineer.
PhD Student (Biotechnology Program. UNAB, Chile)
Computational Biology Lab (DLab)
Center for Mathematical Modeling (CMM)
Facultad de Ciencias Físicas y Matemáticas.
Universidad de Chile.

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