Re: Valdiation of Latest Amber parameters

From: David A. Case <case.scripps.edu>
Date: Mon, 7 Jul 2003 15:04:01 -0700

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.scripps.edu
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Received on Mon Jul 07 2003 - 23:53:01 PDT
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