H2+-BLOCKED-PURIFY-BLOCKED.inp    1     4e-14
2H2O-BLOCKED-PURIFY-OFF.inp             1
2H2O-BLOCKED-PURIFY-FULL.inp            1
2H2O-BLOCKED-PURIFY-BLOCKED.inp         1
MD-1.inp                                1
MD-2_OT.inp                             1  1E-10
MD-2_no_OT.inp                          1
