AMBER Archive (2004)

Subject: AMBER: Heme parameters

From: Gustavo Pierdominici Sottile (gsottile_at_unq.edu.ar)
Date: Tue Jun 01 2004 - 10:32:06 CDT

Hi,
  I am looking for heme parameters appropriate for a
five-coordinate(deoxy) heme and others appropiate for
a six-coordinate (ligand bound) myoglobin. Are there two different set of
parameters for the five-coordinate and six-coordinate situations?.
Since I found almost all the articles using the CHARMM heme parameters,
I would also like to know if the AMBER heme parameters were also
extensively used.
Thanking in advance
Gustavo

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