pentacoordinate heme

From: grazia cottone (cottone_at_fisica.unipa.it)
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?

Thanks
Grazia

-- 
Grazia Cottone
School of Physics
College of Engineering, Mathematics and Physical Sciences
University College of Dublin
phone +353-1-716 1945
      +353-1-716-1794
email grazia.cottone_at_ucd.ie
Dipartimento di Fisica
UniversitÓ di Palermo
phone +39-091 6234262
fax   +39-091 6162461
email cottone_at_fisica.unipa.it
      grazia.cottone_at_unipa.it

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:23:39 CST