VMD-L Mailing List
From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Thu May 31 2018 - 13:39:07 CDT
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In ABF, is the PMF calculated if the molecule strays outside of the lowerboundary and upperboundary window? Say LB is 2 and UB is 4, and the molecule diffuses outside of that 2 and 4 window, what happens to the PMF calculations? Thanks!
Kelly L. McGuire
PhD Scholar
Department of Physiology and Developmental Biology
Brigham Young University
LSB 3050
Provo, UT 84602
- Next message: Pawel Kedzierski: "VMD 1.9.4 for Windows?"
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- Next in thread: Jérôme Hénin: "Re: PMF Question"
- Reply: Jérôme Hénin: "Re: PMF Question"
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