AMBER Archive (2003)

Subject: Re: Valdiation of Latest Amber parameters

From: David A. Case (case_at_scripps.edu)
Date: Mon Jul 07 2003 - 17:04:01 CDT

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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