From c491c3d205dbc32611953db83291d8c38053fc16 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Mon, 5 Jun 2023 15:36:12 -0700
Subject: [PATCH] Fixes issue #694 (#704)

* Fixes issue #694

* import openmmtools to get version
---
 openmmtools/multistate/multistatereporter.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmmtools/multistate/multistatereporter.py b/openmmtools/multistate/multistatereporter.py
index 6d3b704f..4ac1f5cb 100644
--- a/openmmtools/multistate/multistatereporter.py
+++ b/openmmtools/multistate/multistatereporter.py
@@ -48,6 +48,7 @@
 except ImportError:  # OpenMM < 7.6
     from simtk import unit
 
+import openmmtools
 from openmmtools.utils import deserialize, with_timer, serialize, quantity_from_string
 from openmmtools import states
 
@@ -408,8 +409,7 @@ def _initialize_storage_file(self, ncfile, nc_name, convention):
             ncfile.createDimension('spatial', 3)  # Number of spatial dimensions.
 
             # Set global attributes.
-            ncfile.application = 'YANK'
-            ncfile.program = 'yank.py'
+            ncfile.program = f"openmmtools {openmmtools.__version__}"
             ncfile.programVersion = __version__
             ncfile.Conventions = convention
             ncfile.ConventionVersion = '0.2'