X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fnewcorr%2Fprota_unres_energy_check_mult.sh;h=e415b57b419d4b84ef9f5e1e8f358056ef8869e2;hb=2669accd115e795eccd5ed16ca99da0c0a07e3a4;hp=7384c554f99f3c63a57feaad2c037d1b57e382fa;hpb=6a1c07df9e70be02e30eaa73df83b30b62c368da;p=unres.git diff --git a/ctest/newcorr/prota_unres_energy_check_mult.sh b/ctest/newcorr/prota_unres_energy_check_mult.sh index 7384c55..e415b57 100755 --- a/ctest/newcorr/prota_unres_energy_check_mult.sh +++ b/ctest/newcorr/prota_unres_energy_check_mult.sh @@ -243,7 +243,7 @@ elif [ "$1" == "Ts866_checkgrad_full" ] ; then fi - if [ `echo "a=${diff};a>0.0020"|bc -l` != "0" ]; then + if [ `echo "a=${diff};a>0.0070"|bc -l` != "0" ]; then echo 'ERROR largest abs(1-numerical/analytical)' ${diff} echo ' greater than 0.0070' exit_error=1