# H2O ice structure with 2 potential (exact and approimate)
# using moves: atom/molecule displacement, molecule rotation and proton reorder
# on one temperature
&GLOBAL
  PRINT_LEVEL LOW
  PROGRAM TMC
  PROJECT H2O_TMC
  RUN_TYPE TMC
  #TRACE
  WALLTIME 00:10:25
&END GLOBAL

&MOTION
  &TMC
    ENERGY_FILE_NAME H2O_ice.inp
    ESIMATE_ACC_PROB .TRUE.
    GROUP_CC_SIZE 0
    GROUP_ENERGY_NR 1
    GROUP_ENERGY_SIZE 1
    INFO_OUT_STEP_SIZE 1
    NUM_MC_ELEM 10
    NUM_MV_ELEM_IN_CELL 1
    PRINT_ONLY_ACC .TRUE.
    PRINT_TEST_OUTPUT
    RESTART_OUT 0
    RND_DETERMINISTIC 42
    TEMPERATURE 330
    &NMC_MOVES
      NMC_FILE_NAME H2O_ice_2.inp
      NR_NMC_STEPS 3
      &MOVE_TYPE ATOM_TRANS
        INIT_ACC_PROB 0.2
        PROB 1
        SIZE 0.1
      &END MOVE_TYPE
      &MOVE_TYPE MOL_TRANS
        PROB 1
        SIZE 0.05
      &END MOVE_TYPE
      &MOVE_TYPE MOL_ROT
        PROB 1
        SIZE 9
      &END MOVE_TYPE
      &MOVE_TYPE PROT_REORDER
        PROB 2
      &END MOVE_TYPE
    &END NMC_MOVES
  &END TMC
&END MOTION
