Subject: Can I use heme prameters with param94 ?

From: [email-masked] (Kazuki Shinoda)
Date: Mon, 21 Feb 2000 23:05:48 +0900 (JST)

Dear CCLers,

I have performed MD simulations with AMBER param94 and db94. Because my
system has been constituted by only a protein and solvent water, everything
has been O.K.. But now, I must treat a system which includes a heme-protein.
I want to continue using param94 and db94 because I want to use neutral-Asp
and neutral-Glu.

My question is whether can I use the all-atom heme parameter set (heme-all.
in and frcmod.hemall) that is on the AMBER home-page with param94 and
db94 ? If some modifications are required, do someone has any information
about them ?

Any information will be appreciated.

Best regards,
Kazuki

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 Kazuki Shinoda, MC2
 Division of Biological Science, Graduate school of Science
 Nagoya University, Chikusa, Nagoya 464-8602, Japan

 E-mail : [email-masked]
 URL:      http://bio.nagoya-u.ac.jp:8001/~kazuki/kazuki.html
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