51 |
|
void clear_args (struct gengetopt_args_info *args_info) |
52 |
|
{ |
53 |
|
args_info->input_arg = NULL; |
54 |
< |
args_info->bandwidth_arg = 8 ; |
54 |
> |
args_info->bandwidth_arg = 16 ; |
55 |
|
} |
56 |
|
|
57 |
|
void |
70 |
|
printf("%s\n"," -h, --help Print help and exit"); |
71 |
|
printf("%s\n"," -V, --version Print version and exit"); |
72 |
|
printf("%s\n"," -i, --input=filename input file name"); |
73 |
< |
printf("%s\n"," -b, --bandwidth=INT The step detail for the potential grids - typically a \n power of 2 (default=`8')"); |
73 |
> |
printf("%s\n"," -b, --bandwidth=INT The step detail for the potential grids - typically a \n power of 2 (default=`16')"); |
74 |
|
printf("\n"); |
75 |
|
printf(" Group: ForceField A Force Field must be specified\n"); |
76 |
|
printf("%s\n"," -c, --charmm Use CHARMM 27 parameters"); |