Re: [AMBER] mbar

From: Hannes Loeffler <>
Date: Tue, 15 Dec 2015 17:02:41 +0000

On Tue, 15 Dec 2015 17:42:25 +0100
Johannes Löffler <> wrote:

> Yes of course... I'm sorry! But with pmemd it should work?

Yes. As discussed, my AMBER parser requires you to samples every MBAR
lambda explicitly. If this is not an equally spaced array you will
have to hack the code.

I may add an extrapolation scheme as suggested by Brian at some point
later but this will probably not happen too soon.

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Received on Tue Dec 15 2015 - 09:30:06 PST
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