TNG API  1.8.2
A flexible binary trajectory format
Standard trajectory blocks

Macros

#define TNG_TRAJ_BOX_SHAPE   0x0000000010000000LL
 
#define TNG_TRAJ_PARTIAL_CHARGES   0x0000000010000004LL
 
#define TNG_TRAJ_B_FACTORS   0x0000000010000006LL
 
#define TNG_TRAJ_ANISOTROPIC_B_FACTORS   0x0000000010000007LL
 
#define TNG_TRAJ_GENERAL_COMMENTS   0x0000000010000009LL
 

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_GENERAL_COMMENTS

#define TNG_TRAJ_GENERAL_COMMENTS   0x0000000010000009LL

◆ TNG_TRAJ_PARTIAL_CHARGES

#define TNG_TRAJ_PARTIAL_CHARGES   0x0000000010000004LL