Standard trajectory blocks

Macros
#define	TNG_TRAJ_BOX_SHAPE   0x0000000010000000LL
#define	TNG_TRAJ_POSITIONS   0x0000000010000001LL
#define	TNG_TRAJ_VELOCITIES   0x0000000010000002LL
#define	TNG_TRAJ_FORCES   0x0000000010000003LL
#define	TNG_TRAJ_PARTIAL_CHARGES   0x0000000010000004LL
#define	TNG_TRAJ_FORMAL_CHARGES   0x0000000010000005LL
#define	TNG_TRAJ_B_FACTORS   0x0000000010000006LL
#define	TNG_TRAJ_ANISOTROPIC_B_FACTORS   0x0000000010000007LL
#define	TNG_TRAJ_OCCUPANCY   0x0000000010000008LL
#define	TNG_TRAJ_GENERAL_COMMENTS   0x0000000010000009LL
#define	TNG_TRAJ_MASSES   0x0000000010000010LL

Detailed Description

Block IDs of standard trajectory blocks. Box shape and partial charges can be either trajectory blocks or non-trajectory blocks

Macro Definition Documentation

TNG_TRAJ_ANISOTROPIC_B_FACTORS

#define TNG_TRAJ_ANISOTROPIC_B_FACTORS   0x0000000010000007LL

TNG_TRAJ_B_FACTORS

#define TNG_TRAJ_B_FACTORS   0x0000000010000006LL

TNG_TRAJ_BOX_SHAPE

#define TNG_TRAJ_BOX_SHAPE   0x0000000010000000LL

TNG_TRAJ_FORCES

#define TNG_TRAJ_FORCES   0x0000000010000003LL

TNG_TRAJ_FORMAL_CHARGES

#define TNG_TRAJ_FORMAL_CHARGES   0x0000000010000005LL

TNG_TRAJ_GENERAL_COMMENTS

#define TNG_TRAJ_GENERAL_COMMENTS   0x0000000010000009LL

TNG_TRAJ_MASSES

#define TNG_TRAJ_MASSES   0x0000000010000010LL

TNG_TRAJ_OCCUPANCY

#define TNG_TRAJ_OCCUPANCY   0x0000000010000008LL

TNG_TRAJ_PARTIAL_CHARGES

#define TNG_TRAJ_PARTIAL_CHARGES   0x0000000010000004LL

TNG_TRAJ_POSITIONS

#define TNG_TRAJ_POSITIONS   0x0000000010000001LL

TNG_TRAJ_VELOCITIES

#define TNG_TRAJ_VELOCITIES   0x0000000010000002LL