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physical_validation
Physical validation of molecular simulations
https://physical-validation.readthedocs.io
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Slightly modernize / improve the GROMACS interface
#132
Closed
ptmerz
closed
3 years ago
ptmerz
commented
3 years ago
Remove py2 / py3 workaround for string detection (refs #47)
Replace os.errno by actually importing errno (see
https://github.com/python/cpython/commit/1d2dafa249c7fb34f3d24e7a77d1bea02907d92b
)
Remove py2 workaround defining the encoding, which makes newer versions of py3 fail
Add default location of GROMACS topology library, which will make use of bioconda gromacs in tests possible