Can I use heme prameters with param94 ?

From: Kazuki Shinoda <>
Date: Mon 21 Feb 2000 20:42:29 +0900 (JST)

Dear AMBER users,

I have performed MD simulations with 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 Shinoda, MC2
 Division of Biological Science, Graduate school of Science
 Nagoya University, Chikusa, Nagoya 464-8602, Japan

 E-mail :
Received on Mon Feb 21 2000 - 03:42:29 PST
Custom Search