1&FORCE_EVAL
2  METHOD FIST
3  &MM
4    &FORCEFIELD
5      parm_file_name ../sample_pot/pot_ub.pot
6      parmtype CHM
7    &END FORCEFIELD
8    &POISSON
9      &EWALD
10        EWALD_TYPE spme
11        ALPHA .44
12        GMAX 24
13        O_SPLINE 6
14      &END EWALD
15    &END POISSON
16  &END MM
17  &SUBSYS
18    &CELL
19      ABC 24.955 24.955 24.955
20    &END CELL
21    &TOPOLOGY
22      CHARGE_O
23      COORD_FILE_NAME ../sample_pdb/butane.pdb
24      COORDINATE pdb
25    &END TOPOLOGY
26  &END SUBSYS
27&END FORCE_EVAL
28&GLOBAL
29  PROJECT pot_ub
30  RUN_TYPE md
31&END GLOBAL
32&MOTION
33  &MD
34    ENSEMBLE NVE
35    STEPS 1
36    TIMESTEP 0.5
37    TEMPERATURE 298
38  &END MD
39&END MOTION
40