AMBER Archive (2004)

Subject: Re: AMBER: WHAM program

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 30 2004 - 12:16:02 CDT

On Fri, Jul 30, 2004, tang kwa wrote:
>
> I have a problem in the second step of calculating
> PMF. I used WHAM code to analyze PMF. I followed
> the umbrella sampling test in AMBER8. I had files
> given by DUMPAVE command. Then I used these files
> tocreate PMF, however, I didn't get the result.Can I
> use WHAM code to generate the PMF directly?
>

We would need more details to be of any help. Just saying "I didn't get
the result" is not enough. Can you say exactly what commands you issued,
and what response you got from the computer?

Also note that questions about WHAM should really be directed to its author,
Alan Grossfield. See the README file that comes with the program.

...regards...dac

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