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Commit 47414bcf authored by cmaffeo2's avatar cmaffeo2
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arbdmodel now creates potentials directory

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arbdmodel.py
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...@@ -559,6 +559,8 @@ class ArbdModel(PdbModel): ...@@ -559,6 +559,8 @@ class ArbdModel(PdbModel):
def writeArbdFiles(self, prefix, numSteps=100000000, outputPeriod=10000): def writeArbdFiles(self, prefix, numSteps=100000000, outputPeriod=10000):
## TODO: save and reference directories and prefixes using member data ## TODO: save and reference directories and prefixes using member data
d = "potentials" d = "potentials"
if not os.path.exists(d):
os.makedirs(d)
self._bond_filename = "%s/%s.bonds.txt" % (d, prefix) self._bond_filename = "%s/%s.bonds.txt" % (d, prefix)
self._angle_filename = "%s/%s.angles.txt" % (d, prefix) self._angle_filename = "%s/%s.angles.txt" % (d, prefix)
self._dihedral_filename = "%s/%s.dihedrals.txt" % (d, prefix) self._dihedral_filename = "%s/%s.dihedrals.txt" % (d, prefix)
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