AMBER Archive (2001)

Subject: Re: Help with new residue

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• In reply to: Penny Govender: "Help with new residue"
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Hello Penny,

Please send your input file, and give us information about the molecule
you want studied.

Pascal

Penny Govender wrote:
>
> Dear Amber Users
>
> I am a new student working with AMBER 5.0 and am currently working on a
> new cyclic residue. So far I have obtained the charges for the residue
> by running a Gaussian Optimization but I am currently experiencing some
> problems for the "prep.out" job.
>
> Can anyone assist me with this ? If yes, please let me know so that I
> can forward you my information.
>
> Thanking you, kindly
> Penny

-- 
***************************************************
Dr. Pascal Bonnet
School of Pharmacy and Pharmaceutical Sciences,
University of Manchester, Manchester, M13 9PL, U.K.
Tel:(+44) (0)161 275 2431
http://pharmacy.man.ac.uk
***************************************************

• Next message: Walker, Jerrylaine : "problem in Leap"
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• In reply to: Penny Govender: "Help with new residue"
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