From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Wed, 3 Apr 2019 12:18:44 +0000 (+0200)
Subject: ctest UNRES_M_ss_static_min
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=bdcd2b5b644824d8201501948d0fa864b9d8e462

ctest UNRES_M_ss_static_min
---

diff --git a/ctest/prota_unres_energy_check_mult.sh b/ctest/prota_unres_energy_check_mult.sh
index 4f4be70..bc61564 100755
--- a/ctest/prota_unres_energy_check_mult.sh
+++ b/ctest/prota_unres_energy_check_mult.sh
@@ -183,9 +183,9 @@ elif [ "$1" == "1DKZcut-micro" ]; then
  fi
 
 elif [ "$1" == "1ei0_min" ]; then
- extremediff="10.0"			# extreme energy difference, comething went terribly wrong
+ extremediff="20.0"			# extreme energy difference, comething went terribly wrong
  expectenergy="141.9976"		# - expected total energy
- cutoffdiff="6.0"			# energy cutoff variation - more then this rises warning  
+ cutoffdiff="10.0"			# energy cutoff variation - more then this rises warning  
  
  refe="134.706"
  startene=`grep ETOT $file|head -1| awk '{print $2*1.0}'`