Added warning for namd and virial

patches/namd-2.8.config

@@ -6,7 +6,8 @@ function plumed_preliminary_test(){
 }
 
 function plumed_patch_info(){
-  echo ""
+  echo "WARNING: NAMD does not currently take into account virial contributions"
+  echo "from PLUMED. Please use constant volume simulations only"
   echo ""
   echo "For more information on NAMD you should visit http://www.ks.uiuc.edu/Research/namd/"
 }

patches/namd-2.9.config

+
+
+function plumed_preliminary_test(){
+# check if the README.txt contains the word NAMD
+  grep -q NAMD README.txt 1>/dev/null 2>/dev/null && test -f */Make.config
+}
+
+function plumed_patch_info(){
+  echo "WARNING: NAMD does not currently take into account virial contributions"
+  echo "from PLUMED. Please use constant volume simulations only"
+  echo ""
+  echo "For more information on NAMD you should visit http://www.ks.uiuc.edu/Research/namd/"
+}