1&GLOBAL
2  PROJECT_NAME               h2o_pint_fist
3  RUN_TYPE                   PINT
4  PRINT_LEVEL                LOW
5&END GLOBAL
6
7&MOTION
8  &PINT
9    P                        4
10    PROC_PER_REPLICA         1
11    NUM_STEPS                4
12    DT                       0.5
13    NRESPA                   2
14    TEMP                    50.0
15    TRANSFORMATION           NORMAL
16    PROPAGATOR               RPMD
17  &END PINT
18&END MOTION
19
20&FORCE_EVAL
21  METHOD FIST
22  &MM
23    &FORCEFIELD
24      PARM_FILE_NAME  ../../Fist/sample_pot/water.pot
25      PARMTYPE        CHM
26      &CHARGE
27        ATOM OT
28        CHARGE -0.8476
29      &END CHARGE
30      &CHARGE
31        ATOM HT
32        CHARGE 0.4238
33      &END CHARGE
34    &END FORCEFIELD
35    &POISSON
36      &EWALD
37        EWALD_TYPE SPME
38        ALPHA 0.44
39        GMAX 24
40        O_SPLINE 6
41      &END EWALD
42    &END POISSON
43  &END MM
44  &SUBSYS
45    &CELL
46      ABC 24.955 24.955 24.955
47    &END CELL
48    &TOPOLOGY
49      COORD_FILE_NAME ../../Fist/sample_pdb/water_1.pdb
50      COORD_FILE_FORMAT PDB
51    &END TOPOLOGY
52  &END SUBSYS
53&END FORCE_EVAL
54