Unverified Commit bc821ce1 authored by peastman's avatar peastman Committed by GitHub
Browse files

Merge pull request #2374 from Olllom/dcdfix

set currentStep in DCDReporter
parents 3e532275 a8846c09
...@@ -101,7 +101,10 @@ class DCDReporter(object): ...@@ -101,7 +101,10 @@ class DCDReporter(object):
""" """
if self._dcd is None: if self._dcd is None:
self._dcd = DCDFile(self._out, simulation.topology, simulation.integrator.getStepSize(), 0, self._reportInterval, self._append) self._dcd = DCDFile(
self._out, simulation.topology, simulation.integrator.getStepSize(),
simulation.currentStep, self._reportInterval, self._append
)
self._dcd.writeModel(state.getPositions(), periodicBoxVectors=state.getPeriodicBoxVectors()) self._dcd.writeModel(state.getPositions(), periodicBoxVectors=state.getPeriodicBoxVectors())
def __del__(self): def __del__(self):
......
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