Re: [AMBER] regarding amber anal calculation

From: Adrian Roitberg <>
Date: Tue, 12 Jul 2011 09:37:32 +0200

Dear Dhilip

There is not enough information in your request to help you.

Let me start by saying that the program anal has not been used for at
least eight or 9 years, and probably more.

Second, you give NO details about how to try to compute the urea-water
interaction energy.

Third, what do you mean by "not matching with the literature". You mean
previous amber calculations or experiment? Each one of those has a
different set of issues with them


On 7/12/11 7:07 AM, dhilip kumar ramalingam wrote:
> Hai,
> I have calculated the interaction energy between urea and
> water using anal. But it is not matching with the literature. What should i
> do

                            Dr. Adrian E. Roitberg
                              Full Professor
                Quantum Theory Project, Department of Chemistry
                            University of Florida
on Sabbatical in Barcelona until August 2011.
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Received on Tue Jul 12 2011 - 01:00:03 PDT
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