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@davidlmobley davidlmobley released this 17 Jun 04:00
· 441 commits to master since this release
v0.6.8
999b4e6

This version is compatible with ParmEd 2.0, which is utilized by utils. Additionally, in this release a substantial number of functions in gromacs are significantly simplified using ParmEd. A new amber_to_gromacs functionality is also provided in utils, using ParmEd for conversion. This functionality is also tested via energy evaluations (using OpenMM). Older AMBER to GROMACS conversion using convert_via_acpype in utils is now deprecated.

It is worth noting that some ParmEd functionality requires OpenMM 6.3, which is not yet released, though it can be conda installed using conda install openmm-dev

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