ctest UNRES_M_CHECKGRAD1_homology ene ref

diff --git a/ctest/prota_unres_energy_check_mult.sh b/ctest/prota_unres_energy_check_mult.sh
index 20f16a8..0f77dcd 100644 (file)
--- a/ctest/prota_unres_energy_check_mult.sh
+++ b/ctest/prota_unres_energy_check_mult.sh
@@ -227,7 +227,7 @@ elif [ "$1" ==  "Ts866_checkgrad_full" ] ; then
  ene=`grep ETOT $file|head -1| awk '{print $2*1.0}'`
  hene=`grep H_CONS $file|head -1| awk '{print $2*1.0}'`
  
- ene_ref=3124.347
+ ene_ref=3124.502
  hene_ref=1872.981
  
  echo "ETOT= " ${ene} " reference= " ${ene_ref}