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_2s.pdb
30      COORDINATE pdb
31      &GENERATE
32       REORDER
33      &END
34    &END TOPOLOGY
35    &PRINT
36       &TOPOLOGY_INFO
37         UTIL_INFO
38       &END
39    &END
40  &END SUBSYS
41&END FORCE_EVAL
42&GLOBAL
43  PROJECT water_reord
44  RUN_TYPE MD
45&END GLOBAL
46&MOTION
47  &MD
48    ENSEMBLE NVE
49    STEPS 10
50    TIMESTEP 2.5
51    TEMPERATURE 298
52  &END MD
53&END MOTION
54