pentacoordinate heme

From: grazia cottone (
Date: Sun Mar 06 2011 - 09:43:02 CST

Hi All,
I need to simulate both deoxy- and 6-ligated heme states in myoglobin.
The .prm files are designed for the 6-ligated state only, so my question
is how
 do you model the heme doming in the deoxy state?


Grazia Cottone
School of Physics
College of Engineering, Mathematics and Physical Sciences
University College of Dublin
phone +353-1-716 1945
Dipartimento di Fisica
UniversitÓ di Palermo
phone +39-091 6234262
fax   +39-091 6162461

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