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
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Kazuki Shinoda, MC2
Division of Biological Science, Graduate school of Science
Nagoya University, Chikusa, Nagoya 464-8602, Japan
E-mail : shinoda_at_biol2.bio.nagoya-u.ac.jp
URL: http://bio.nagoya-u.ac.jp:8001/~kazuki/kazuki.html
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Received on Mon Feb 21 2000 - 03:42:29 PST
