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    &END FORCEFIELD
16    &POISSON
17      &EWALD
18        EWALD_TYPE pme
19        ALPHA .44
20        NS_MAX 25
21      &END EWALD
22    &END POISSON
23  &END MM
24  &SUBSYS
25    &CELL
26      ABC 24.955 24.955 24.955
27    &END CELL
28    &TOPOLOGY
29      COORD_FILE_NAME ../sample_pdb/water_2.pdb
30      COORDINATE pdb
31    &END TOPOLOGY
32      &PRINT
33        &TOPOLOGY_INFO
34          PDB_INFO
35        &END
36      &END
37  &END SUBSYS
38&END FORCE_EVAL
39&GLOBAL
40  PROJECT water_hbonds_dist
41  RUN_TYPE MD
42&END GLOBAL
43&MOTION
44  &CONSTRAINT
45    &HBONDS
46    &END
47  &END CONSTRAINT
48  &MD
49    ENSEMBLE NVE
50    STEPS 10
51    TIMESTEP 2.5
52    TEMPERATURE 298
53  &END MD
54&END MOTION
55