# runs are executed in the same order as in this file
# the second field tells which test should be run in order to compare with the last available output
# e.g. 0 means do not compare anything, running is enough
#      1 compares the last total energy in the file
#      for details see cp2k/tools/do_regtest
# QM/MM
Lysozyme_small_NVT.inp                                 2    1.0E-14            -0.663397284084E+03
tyrosine_NVT.inp                                       2    1.0E-14            -481.71605988300001
#EOF
