#define STAGE_THERMAL_INIT 0x10
#define STAGE_DEL_ATOMS 0x11
#define STAGE_MODIFY_ATOMS 0x12
+#define STAGE_CRT 0x13
typedef struct s_mdrun {
char cfile[128]; // config file
t_offset_params o_params;
} t_fill_params;
+typedef struct s_crt_params {
+ u8 type;
+ char file[128];
+ t_3dvec *r_fin;
+ u8 *constraints;
+ int steps;
+ int count;
+} t_crt_params;
+
/*
* function prototypes
*/