AMBER Archive (2008)

Subject: Re: AMBER: NAB to calcuate entropy. .

From: David A. Case (case_at_scripps.edu)
Date: Wed Feb 20 2008 - 17:18:32 CST

On Wed, Feb 20, 2008, Wang, Xuelin wrote:
>
> Here are the output, input pdb file and nab input file. I used a small
> DNA molecule to do testing. It works without using nsnb=99999. Is it
> right?

Now I am confused...when does it fail? Did the files you sent show a failure?
Can you reproducibly change only nsnb and go from "good" to "bad" results?
Please only send files that show a problem.

...dac

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