AMBER Archive (2009)

Subject: Re: [AMBER] MM-PBSA NMODE

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• In reply to: Zhongjie Liang: "[AMBER] MM-PBSA NMODE"
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On Wed, Nov 25, 2009, Zhongjie Liang wrote:
>
> I wonder that if NMODE generates snapshots itself or just
> calculate the entroy of snapshots generated in the frrst step.

The latter.

> Is there any
> standard NMODE input files and how to deal with the output file?

I don't understand your question. You can look at the input files that
mm-pbsa creates. The output files *should* be pretty self-explanatory.

...dac

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• Previous message: case: "Re: [AMBER] check MAXPR in locmem.f error on minimization"
• In reply to: Zhongjie Liang: "[AMBER] MM-PBSA NMODE"
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