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Daniel Bauer
2020-10-26 10:52:22 +01:00
parent 31ffb5958d 18debf1a28
commit 5ca708abf1
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name: wham
version: "1.0.0"
author: D. Bauer <bauer@bio.tu-darmstadt.de>
author: D. Bauer <bauer@cbs.tu-darmstadt.de>
about: |
wham is a fast implementation of the weighted histogram analysis method (WHAM) written in Rust. It currently supports potential of mean force (PMF) calculations in multiple dimensions at constant temperature.