-
Committed
[r228]
first of new QM geometries validated by Mogul
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Committed
[r227]
better QM method needed for planar N
-
Committed
[r226]
adjusted F3S to match CCD
-
Committed
[r225]
added IUM
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Committed
[r224]
removed OBS codes
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Committed
[r223]
restraints for top200
-
Committed
[r222]
cryo challenge ligands
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Committed
[r221]
tidy before top200 (-PG4) commit