# H2O ice structure with 2 potential (exact and approimate)
# using moves: atom/molecule displacement, molecule rotation within sub box
# on one temperature

&GLOBAL
  PROJECT H2O_TMC
  PROGRAM TMC
  RUN_TYPE TMC
  PRINT_LEVEL LOW
  #TRACE
  WALLTIME 00:10:25 
&END GLOBAL
&MOTION
  &TMC
      GROUP_ENERGY_SIZE 1
      GROUP_ENERGY_NR   1
      GROUP_CC_SIZE     0
      NUM_MC_ELEM       15
      ENERGY_FILE_NAME  H2O_ice.inp
      TEMPERATURE       330
      &NMC_MOVES
        NMC_FILE_NAME H2O_ice_2.inp
        NR_NMC_STEPS  3
        &MOVE_TYPE      ATOM_TRANS
          SIZE          0.1
          PROB          1
          INIT_ACC_PROB 0.2
        &END
        &MOVE_TYPE      MOL_TRANS
          SIZE          0.05
          PROB          1
        &END
        &MOVE_TYPE      MOL_ROT
          SIZE          9
          PROB          1
        &END
      &END NMC_MOVES
      SUB_BOX           5.0 
      NUM_MV_ELEM_IN_CELL 0
      RND_DETERMINISTIC 42
      ESIMATE_ACC_PROB .TRUE.
      INFO_OUT_STEP_SIZE 1
      RESTART_OUT 0
      PRINT_ONLY_ACC .TRUE.
      PRINT_TEST_OUTPUT
  &END TMC
&END MOTION
