AMBER Archive (2003)

Subject: RE: Valdiation of Latest Amber parameters

From: Sia Meshkat (sMeshkat_at_proteinMechanics.com)
Date: Mon Jul 07 2003 - 17:19:04 CDT

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.
 
Regards,

Sia Meshkat

-----Original Message-----
From: David A. Case [mailto:case_at_scripps.edu]
Sent: Monday, July 07, 2003 3:04 PM
To: Sia Meshkat
Cc: amber_at_heimdal.compchem.ucsf.edu
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
"all_amino02.in".
>
> Where can I get "all_amino99.in", 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.

..dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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