--- tests/test_cases.cfg.orig 2024-04-16 10:18:48 +++ tests/test_cases.cfg 2024-04-16 10:21:19 @@ -76,36 +76,36 @@ apbs-smol : 1.847860440020E+03 1.885436377745E+03 2.734040568569E+03 3.125279428954E+03 -3.757593797629E+01 -3.912388198513E+02 -3.536628818750E+02 -[geoflow] -input_dir : ../examples/geoflow -imidazole : -1.030222099963E+01 5.417419E-01 +#[geoflow] +#input_dir : ../examples/geoflow +#imidazole : -1.030222099963E+01 5.417419E-01 -[bem] -input_dir : ../examples/bem -451c_order1 : -4.678324477794E+03 -451c_order5 : -4.678190000000e+03 +#[bem] +#input_dir : ../examples/bem +#451c_order1 : -4.678324477794E+03 +#451c_order5 : -4.678190000000e+03 -[bem-pKa] -input_dir : ../examples/bem-pKa -ASH66 : -4.005763343995E+00 -2LZT-ASH66 : -3.636994149197E+02 -2LZT-noASH66 : -3.625121468362E+02 +#[bem-pKa] +#input_dir : ../examples/bem-pKa +#ASH66 : -4.005763343995E+00 +#2LZT-ASH66 : -3.636994149197E+02 +#2LZT-noASH66 : -3.625121468362E+02 -[bem-binding-energy] -input_dir : ../examples/bem-binding-energy -1d30 : -2.197264516397E+04 -1d30_monomer1 : -2.608072100934E+04 -1d30_monomer2 : -7.676311645066E+02 +#[bem-binding-energy] +#input_dir : ../examples/bem-binding-energy +#1d30 : -2.197264516397E+04 +#1d30_monomer1 : -2.608072100934E+04 +#1d30_monomer2 : -7.676311645066E+02 -[pbam] -input_dir : ../examples/pbam -toy_energyforce : -4.965018552290E+01 -4.965018552290E+01 +#[pbam] +#input_dir : ../examples/pbam +#toy_energyforce : -4.965018552290E+01 -4.965018552290E+01 -[pbsam] -input_dir : ../examples/pbsam-gly -gly_energyforce : 6.176608555569E-05 6.210593742215E-05 +#[pbsam] +#input_dir : ../examples/pbsam-gly +#gly_energyforce : 6.176608555569E-05 6.210593742215E-05 # Very slow test #[protein-rna]