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Martin Kurečka
Plumed AlphaFold
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a6818d24
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a6818d24
authored
11 years ago
by
Giovanni Bussi
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@@ -18,9 +18,12 @@ In addition, it is now much easier to contribute new functionality to the code b
- Developer and user documentation
Version 2.0.1 (unpublised yet, check out branch v2.0 on git repository)
For users:
- Several small fixes in documentation and log file
- Fixed a bug in HISTOGRAM with REWEIGHT_BIAS. Reweighting was only done when also temperature-reweighing was enabled.
- Added message when "plumed simpled" is used on a non-existing file
For developers:
- Several small fixes in documentation
- Added possibility to setup replica exchange from MD codes in fortran (commands "GREX setMPIFIntercomm" and "GREX setMPIFIntracomm")
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