partition function estimates up to a multiplicative constant

Analyze data from multiple equilibrium simulations at different thermodynamic states
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Maciej Dziubinski
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Joined: Mon Sep 30, 2013 4:10 am

partition function estimates up to a multiplicative constant

Post by Maciej Dziubinski » Wed Oct 09, 2013 1:08 am

Hello,

WHAM allows you to get partition functions up to a multiplicative constant. For example, the ratio Z(T_1)/Z(T_2) is correct, but Z(T_1) - not quite.

My question: does anyone know a way of estimating Z(T_1) "precisely"? Or, although I doubt it, maybe MBAR has this feature?

Cheers,
Maciek
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