From bdcd2b5b644824d8201501948d0fa864b9d8e462 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Wed, 3 Apr 2019 14:18:44 +0200 Subject: [PATCH] ctest UNRES_M_ss_static_min --- ctest/prota_unres_energy_check_mult.sh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) 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}'` -- 1.7.9.5