1# analysis of a TMC parallel tempering run without analysis output 2# calculating the classical dipole moment 3 4&GLOBAL 5 PROJECT H2O_TMC 6 PROGRAM MC_ANALYSIS 7 RUN_TYPE TMC 8 PRINT_LEVEL LOW 9&END GLOBAL 10&MOTION 11 &TMC 12 PRINT_TEST_OUTPUT 13 &TMC_ANALYSIS_FILES 14 RESTART .FALSE. 15 NR_TEMPERATURE 3 16 TEMPERATURE 300 460 17 FORCE_ENV_FILE H2O.inp 18 CLASSICAL_DIPOLE_MOMENTS 19 &CHARGE 20 ATOM O 21 CHARGE -0.834 22 &END CHARGE 23 &CHARGE 24 ATOM H 25 CHARGE 0.417 26 &END CHARGE 27 &END TMC_ANALYSIS_FILES 28 &END TMC 29&END MOTION 30