ctest correction to previous commit

diff --git a/ctest/cluster_wham_check.sh b/ctest/cluster_wham_check.sh
new file mode 100755 (executable)
index 0000000..2d39591
--- /dev/null
+++ b/ctest/cluster_wham_check.sh
@@ -0,0 +1,23 @@
+#!/bin/bash
+
+if [ "$1" == "1L2Y_clust" ]; then
+ file=1L2Y_wham_T280K_ave.pdb
+else
+ exit 1
+fi
+
+# Check if file exist
+if [ ! -f $file ]; then
+    echo "CRITICAL: out $file do not exist"
+    exit 2
+fi
+
+fam=`grep THERE 1L2Y_clust_clust.out_000|awk '{print $3}'`
+grep THERE 1L2Y_clust_clust.out_000
+grep REMARK 1L2Y_wham*[1-9].pdb
+
+ if [ "$fam" != "5" ]; then
+  echo 'ERROR: number of families not equal 5'
+  exit 1
+ fi
+