From 71418f4bc0c21b00425d7e404964938a3aa873c3 Mon Sep 17 00:00:00 2001
From: Lester Hedges <lester.hedges@gmail.com>
Date: Mon, 10 Oct 2022 10:49:07 +0100
Subject: [PATCH] Update perturbed residue search following Sire 2023 update.

---
 wrapper/Tools/OpenMMMD.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/wrapper/Tools/OpenMMMD.py b/wrapper/Tools/OpenMMMD.py
index 74fa1ba3d..1b6faac68 100644
--- a/wrapper/Tools/OpenMMMD.py
+++ b/wrapper/Tools/OpenMMMD.py
@@ -307,10 +307,10 @@ def getSolute(system):
     # matching the perturbed_resnum.val.
 
     # Create the query string.
-    query = f"mol with resnum {perturbed_resnum.val}"
+    query = f"resnum {perturbed_resnum.val}"
 
     # Perform the search.
-    search = system.search(query)
+    search = system.search(query).molecules()
 
     # Make sure there is only one result.
     if len(search) != 1: