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Commit 45f31654 authored by Robert McGibbon's avatar Robert McGibbon
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same fix about list(quantity) vs quantity(list) for unitcell dimensions

parent 7cbc52ed
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wrappers/python/simtk/openmm/app/desmonddmsfile.py
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...@@ -111,9 +111,9 @@ class DesmondDMSFile(object): ...@@ -111,9 +111,9 @@ class DesmondDMSFile(object):
boxVectors = [] boxVectors = []
for x, y, z in self._conn.execute('SELECT x, y, z FROM global_cell'): for x, y, z in self._conn.execute('SELECT x, y, z FROM global_cell'):
boxVectors.append(mm.Vec3(x, y, z)*angstrom) boxVectors.append(mm.Vec3(x, y, z))
unitCellDimensions = [boxVectors[0][0], boxVectors[1][1], boxVectors[2][2]] unitCellDimensions = [boxVectors[0][0], boxVectors[1][1], boxVectors[2][2]]
top.setUnitCellDimensions(unitCellDimensions) top.setUnitCellDimensions(unitCellDimensions*angstrom)
atoms = {} atoms = {}
lastChain = None lastChain = None
......
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