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1 parent 7dffae2 commit e73b73fCopy full SHA for e73b73f
2 files changed
src/BioSimSpace/MD/_md.py
@@ -39,7 +39,7 @@
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"sander": False,
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},
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"GROMACS": {"gmx": True, "gmx_mpi": True},
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- "NAMD": {"namd2": False},
+ "NAMD": {"namd3": True, "namd2": False},
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"OPENMM": {"sire_python": True},
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"SOMD": {"somd": True},
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}
src/BioSimSpace/Sandpit/Exscientia/MD/_md.py
@@ -38,7 +38,7 @@
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