From 781e5677b6ac3b982802ef9622aa927977048f68 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Fri, 15 Mar 2019 18:14:45 +0000
Subject: [PATCH] Added call to runFinalJobs in plumed in simplemd
[makedoc]
---
src/cltools/SimpleMD.cpp | 3 +++
1 file changed, 3 insertions(+)
diff --git a/src/cltools/SimpleMD.cpp b/src/cltools/SimpleMD.cpp
index 5978c54ef..c3e49685e 100644
--- a/src/cltools/SimpleMD.cpp
+++ b/src/cltools/SimpleMD.cpp
@@ -603,6 +603,9 @@ private:
}
+// call final plumed jobs
+ plumed->cmd("runFinalJobs");
+
// write final positions
write_final_positions(outputfile,natoms,positions,cell,wrapatoms);
--
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