X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=inline;f=ctest%2Fprota_unres_energy_check_mult.sh;h=20f16a87e35555940e326518b9f87420af5b4edb;hb=16c304c466a5963c84b5b547f8be309fb9ff270b;hp=b3c12bd019212bd1acc34e603b1bfdb10a1bfdd1;hpb=407b3899bb5c60d5ae327db305692f375618f916;p=unres.git

diff --git a/ctest/prota_unres_energy_check_mult.sh b/ctest/prota_unres_energy_check_mult.sh
index b3c12bd..20f16a8 100644
--- a/ctest/prota_unres_energy_check_mult.sh
+++ b/ctest/prota_unres_energy_check_mult.sh
@@ -1,6 +1,6 @@
 #!/bin/bash
 #
-# Writen by Dawid Jagieła and Adam Sieradzan
+# Writen by Dawid Jagie?a and Adam Sieradzan
 # and Cezary Czaplewski
 #
 #
@@ -154,7 +154,7 @@ elif [ "$1" == "1DKZcut-lang" ]; then
 
 elif [ "$1" == "1DKZcut-min" ]; then
  extremediff="10.0"			# extreme energy difference, comething went terribly wrong
- expectenergy="338.4051"		# - expected total energy
+ expectenergy="323.6931"		# - expected total energy
  cutoffdiff="8.0"			# energy cutoff variation - more then this rises warning  
  
  sumsl_return=`grep SUMSL $file|awk '{print $4}'`
@@ -167,7 +167,7 @@ elif [ "$1" == "1DKZcut-min" ]; then
 
 elif [ "$1" == "1DKZcut-ene" ]; then
  extremediff="10000.0"			# extreme energy difference, comething went terribly wrong
- expectenergy="-443.2887"	# - expected total energy
+ expectenergy="-443.2674"	# - expected total energy
  cutoffdiff="0.01"			# energy cutoff variation - more then this rises warning  
 
 elif [ "$1" == "1DKZcut-micro" ]; then