1# analysis of a TMC parallel tempering run without analysis output
2# calculating the classical dipole moment
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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
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