Merge pull request #516 from OpenFreeEnergy/plain_md

Protocol to run plain MD simulations
OpenFreeEnergy · Dec 28, 2023 · 5a2c339 · 5a2c339
2 parents 2213b71 + b16d91d
commit 5a2c339
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diff --git a/openfe/protocols/openmm_md/__init__.py b/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",
+]