From a3e935bc88ed8771f17f6f4d60588b81789b9c89 Mon Sep 17 00:00:00 2001
From: Peter Eastman <peastman@stanford.edu>
Date: Mon, 1 Apr 2024 15:22:12 -0700
Subject: [PATCH] Clear forces vector before calling PLUMED (#82)

---
 openmmapi/src/PlumedForceImpl.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmmapi/src/PlumedForceImpl.cpp b/openmmapi/src/PlumedForceImpl.cpp
index 0752e2f..2eaee4b 100644
--- a/openmmapi/src/PlumedForceImpl.cpp
+++ b/openmmapi/src/PlumedForceImpl.cpp
@@ -139,6 +139,7 @@ double PlumedForceImpl::computeForce(ContextImpl& context, const vector<Vec3>& p
 
     // Calculate the forces and energy.
 
+    memset(&forces[0], 0, forces.size()*sizeof(Vec3));
     plumed_cmd(plumedmain, "prepareCalc", NULL);
     plumed_cmd(plumedmain, "performCalcNoUpdate", NULL);
     if (step != lastStepIndex) {