1&FORCE_EVAL
2  METHOD FIST
3  &MM
4    &FORCEFIELD
5      parm_file_name ../sample_pot/water.pot
6      parmtype CHM
7      &CHARGE
8        ATOM OT
9        CHARGE -0.8476
10      &END CHARGE
11      &CHARGE
12        ATOM HT
13        CHARGE 0.4238
14      &END CHARGE
15      DO_NONBONDED F
16    &END FORCEFIELD
17    &POISSON
18      &EWALD
19        EWALD_TYPE none
20      &END EWALD
21    &END POISSON
22    &PRINT
23      &DERIVATIVES
24      &END
25    &END
26  &END MM
27  &SUBSYS
28    &CELL
29      ABC 24.955 24.955 24.955
30    &END CELL
31    &TOPOLOGY
32      COORD_FILE_NAME ../sample_pdb/water_1.pdb
33      COORDINATE pdb
34    &END TOPOLOGY
35  &END SUBSYS
36&END FORCE_EVAL
37&GLOBAL
38  PROJECT water_intern
39  RUN_TYPE md
40&END GLOBAL
41&MOTION
42  &MD
43    ENSEMBLE NVE
44    STEPS 3
45    TIMESTEP 2.5
46    TEMPERATURE 298
47  &END MD
48&END MOTION
49