Protocol to run plain MD simulations

openfe/protocols/openmm_md/__init__.py

@@ -0,0 +1,20 @@
+# This code is part of OpenFE and is licensed under the MIT license.
+# For details, see https://github.com/OpenFreeEnergy/openfe
+"""
+Run MD simulation using OpenMM and OpenMMTools.
+
+"""
+
+from .plain_md_methods import (
+    PlainMDProtocol,
+    PlainMDProtocolSettings,
+    PlainMDProtocolResult,
+    PlainMDProtocolUnit,
+)
+
+__all__ = [
+    "PlainMDProtocol",
+    "PlainMDProtocolSettings",
+    "PlainMDProtocolResult",
+    "PlainMDProtocolUnit",
+]