Skip to content

GitLab

Commit a8846c09 authored by Andreas Krämer's avatar Andreas Krämer
Browse files

set currentStep in DCDReporter

parent 3e532275
Hide whitespace changes
Inline Side-by-side
Showing with 4 additions and 1 deletion
wrappers/python/simtk/openmm/app/dcdreporter.py
View file @ 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):
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment