set currentStep in DCDReporter

a8846c09 · Andreas Krämer · 3e532275 · a8846c09
Commit a8846c09 authored Aug 20, 2019 by Andreas Krämer
Hide whitespace changes
Inline Side-by-side

Showing with 4 additions and 1 deletion

wrappers/python/simtk/openmm/app/dcdreporter.py wrappers/python/simtk/openmm/app/dcdreporter.py +4 -1

No files found.
--- a/wrappers/python/simtk/openmm/app/dcdreporter.py
+++ b/wrappers/python/simtk/openmm/app/dcdreporter.py
@@ -101,7 +101,10 @@ class DCDReporter(object):
        """

        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())

    def __del__(self):