| 93 |
|
char * comsele_arg; /**< @brief select stunt doubles for center-of-mass reference point. */ |
| 94 |
|
char * comsele_orig; /**< @brief select stunt doubles for center-of-mass reference point original value given at command line. */ |
| 95 |
|
const char *comsele_help; /**< @brief select stunt doubles for center-of-mass reference point help description. */ |
| 96 |
+ |
int seleoffset_arg; /**< @brief global index offset for a second object (used to define a vector between sites in molecule). */ |
| 97 |
+ |
char * seleoffset_orig; /**< @brief global index offset for a second object (used to define a vector between sites in molecule) original value given at command line. */ |
| 98 |
+ |
const char *seleoffset_help; /**< @brief global index offset for a second object (used to define a vector between sites in molecule) help description. */ |
| 99 |
|
char * molname_arg; /**< @brief molecule name. */ |
| 100 |
|
char * molname_orig; /**< @brief molecule name original value given at command line. */ |
| 101 |
|
const char *molname_help; /**< @brief molecule name help description. */ |
| 154 |
|
unsigned int sele3_given ; /**< @brief Whether sele3 was given. */ |
| 155 |
|
unsigned int refsele_given ; /**< @brief Whether refsele was given. */ |
| 156 |
|
unsigned int comsele_given ; /**< @brief Whether comsele was given. */ |
| 157 |
+ |
unsigned int seleoffset_given ; /**< @brief Whether seleoffset was given. */ |
| 158 |
|
unsigned int molname_given ; /**< @brief Whether molname was given. */ |
| 159 |
|
unsigned int begin_given ; /**< @brief Whether begin was given. */ |
| 160 |
|
unsigned int end_given ; /**< @brief Whether end was given. */ |
