RE: Valdiation of Latest Amber parameters

From: Sia Meshkat <>
Date: Mon, 7 Jul 2003 15:19:04 -0700

David and Jim,

Thanks. I am now using the ff94 charges.

However, the problem of two (reasonably different) conformations
minimizing into one, is still there.

Sia Meshkat

-----Original Message-----
From: David A. Case []
Sent: Monday, July 07, 2003 3:04 PM
To: Sia Meshkat
Subject: Re: Valdiation of Latest Amber parameters

On Mon, Jul 07, 2003, Sia Meshkat wrote:
> Actually, I am trying to run without polarization with parm99.dat, but
> the only charge data I can find for amino acids is in
> Where can I get "", etc.?

There is no such beast. Charge distributions for non-polarizable force
fields are the same as in ff94.

Please see the files in $AMBERHOME/dat/leap/cmd, or pp. 17-19 of the
Users' Manual.


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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Received on Mon Jul 07 2003 - 23:53:01 PDT
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