AMBER Archive (2005)

Subject: Re: AMBER: RESP charges - multiple conformations

From: Austin B. Yongye (ayongye_at_sunchem.chem.uga.edu)
Date: Tue Apr 19 2005 - 07:43:45 CDT


> Use RED-I with 10 orientations and you will get it. I can also send you
> the
> un-official RED-II web site for multi-conformation & multiorientation RESP
> fit
> if you wish...
>
> [...]
>> Would be glad to know how to make RESP read more than two rows per
>> atoms.
>
> Please use RED-I or better RED-II and all is done automatically.
>

Please do send me the site at: ayongye_at_sunchem.chem.uga.edu
Will RED-x do this for more than 10 orientations? I am looking at say 100?
Thanks,
Austin-

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