1&FORCE_EVAL
2  METHOD FIST
3  &MM
4    &FORCEFIELD
5      parm_file_name ../amber/mol.pot
6      parmtype CHM
7      &SPLINE
8        EMAX_ACCURACY 1.0
9        EMAX_SPLINE  1.0E10
10        EPS_SPLINE 1.0E-4
11        R0_NB  [bohr] 0.0001
12        RCUT_NB  20.0
13      &END
14    &END FORCEFIELD
15    &POISSON
16      &EWALD
17        EWALD_TYPE ewald
18        ALPHA .36
19        GMAX 29
20      &END EWALD
21    &END POISSON
22    &PRINT
23      &FF_INFO
24        SPLINE_INFO
25      &END
26    &END
27  &END MM
28  &SUBSYS
29    &CELL
30      ABC 30.0 30.0 30.0
31    &END CELL
32    &TOPOLOGY
33      CHARGE_BETA
34      COORD_FILE_NAME ../amber/mol.pdb
35      COORDINATE PDB
36      CONNECTIVITY UPSF
37      CONN_FILE_NAME  ../amber/mol.psf
38    &END TOPOLOGY
39  &END SUBSYS
40&END FORCE_EVAL
41&GLOBAL
42  PROJECT 2gly_DIIS-NEB
43  PRINT_LEVEL LOW
44  RUN_TYPE BAND
45&END GLOBAL
46&MOTION
47  &PRINT
48    &VELOCITIES OFF
49    &END
50  &END
51  &BAND
52    NPROC_REP 1
53    BAND_TYPE EB
54    #BAND_TYPE IT-NEB
55    #NUMBER_OF_REPLICA 10
56    NUMBER_OF_REPLICA 11
57    K_SPRING 0.05
58    &CONVERGENCE_CONTROL
59      #MAX_DR 0.01
60      MAX_FORCE 0.001
61      #RMS_DR 0.02
62      RMS_FORCE 0.0005
63    &END
64    ROTATE_FRAMES F
65    &OPTIMIZE_BAND
66      OPT_TYPE DIIS
67      &DIIS
68       MAX_STEPS 20
69       N_DIIS 3
70       NO_LS
71      &END
72    &END
73    &REPLICA
74      COORD_FILE_NAME  ../amber/MOL.0.xyz
75    &END
76    &REPLICA
77      COORD_FILE_NAME  ../amber/MOL.1.xyz
78    &END
79    &REPLICA
80      COORD_FILE_NAME  ../amber/MOL.2.xyz
81    &END
82    &REPLICA
83      COORD_FILE_NAME  ../amber/MOL.3.xyz
84    &END
85    &REPLICA
86      COORD_FILE_NAME  ../amber/MOL.4.xyz
87    &END
88    &PROGRAM_RUN_INFO
89    &END
90    &CONVERGENCE_INFO
91    &END
92  &END BAND
93&END MOTION
94