diff --git a/regtest/basic/rt-make-exceptions/main.cpp b/regtest/basic/rt-make-exceptions/main.cpp index 4bc166454fa0ec7ebdf8f0700f60f821ceeb12a2..41819b5dc7132f62b48d619b995d437d2d3a360e 100644 --- a/regtest/basic/rt-make-exceptions/main.cpp +++ b/regtest/basic/rt-make-exceptions/main.cpp @@ -90,6 +90,8 @@ int main(){ test_line(ofs,plumed,"d: RMSD REFERENCE=test-too-many-atoms.pdb"); test_line(ofs,plumed,"d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_displace_weight.pdb"); test_line(ofs,plumed,"d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_align_weight.pdb"); + test_line(ofs,plumed,"d: RMSD TYPE=SIMPLE REFERENCE=test_zero_displace_weight.pdb"); + test_line(ofs,plumed,"d: RMSD TYPE=SIMPLE REFERENCE=test_zero_align_weight.pdb"); test_line(ofs,plumed,"d: DRMSD REFERENCE=missing.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0"); // these should not fail diff --git a/regtest/basic/rt-make-exceptions/output.reference b/regtest/basic/rt-make-exceptions/output.reference index c454fce339968c2b5bcb10dabf979e7da2184c43..6fb48b63567d16af3f66671613d55f8330c8f1fa 100644 --- a/regtest/basic/rt-make-exceptions/output.reference +++ b/regtest/basic/rt-make-exceptions/output.reference @@ -44,6 +44,10 @@ readInputLine d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_displace_weight.pdb +++ catched readInputLine d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_align_weight.pdb +++ catched +readInputLine d: RMSD TYPE=SIMPLE REFERENCE=test_zero_displace_weight.pdb ++++ catched +readInputLine d: RMSD TYPE=SIMPLE REFERENCE=test_zero_align_weight.pdb ++++ catched readInputLine d: DRMSD REFERENCE=missing.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0 +++ catched readInputLine RESTRAINT ARG=x(d) KAPPA=5 AT=0