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 spme
19        ALPHA .44
20        GMAX 24
21        O_SPLINE 6
22      &END EWALD
23    &END POISSON
24  &END MM
25  &SUBSYS
26    &CELL
27      ABC 5. 5. 5.
28    &END CELL
29    &TOPOLOGY
30      COORD_FILE_NAME ../sample_pdb/water_1.pdb
31      COORDINATE pdb
32    &END TOPOLOGY
33  &END SUBSYS
34&END FORCE_EVAL
35&GLOBAL
36  PROJECT water_charge_no_array
37  RUN_TYPE md
38&END GLOBAL
39&MOTION
40  &MD
41    ENSEMBLE NVE
42    STEPS 100
43    TIMESTEP 2.5
44    TEMPERATURE 298
45  &END MD
46  &PRINT
47    &RESTART
48      &EACH
49        MD 1
50      &END
51    &END
52  &END
53&END MOTION
54