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non-cyclic 1d test

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Daniel Bauer
2020-03-07 21:10:31 +01:00
parent d3a70520df
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README.md
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@@ -88,12 +88,14 @@ Examples
---
The example folder contains input and output files for two simple test systems:
- 1d: Phi torsion angle of dialanine in vaccum
- 2d: Phi and psi torsion angles of the same system
- 1d: Hyaluronan-CD44 binding (See https://doi.org/10.1371/journal.pcbi.1005663)
- 1d_cyclic: Phi torsion angle of dialanine in vaccum
- 2d_cyclic: Phi and psi torsion angles of the same system
TODO
---
- better error estimation
- Autocorrelation
- Replica exchange