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Releases: dspoel/nmr2gmxpy

v1.2

10 Sep 18:50

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Added support for Charmm27 as implemented in GROMACS.

v1.1

10 Sep 12:59
731d19f

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Added some missing files and added more testing functionality. The tests now run a short GROMACS energy minimization and compare the structure before and after minimization.

v1.0

08 Sep 21:32

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First public release of a script to allow generating GROMACS input files from NMR Star files.