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| author | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-04-18 11:31:26 (GMT) |
|---|---|---|
| committer | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-04-18 11:31:26 (GMT) |
| commit | e15ba896f9b3584aaffd6edaea0515d9a68626f7 (patch) | |
| tree | 61df13cb41318dc83e697e565536a7e2002f33b9 | |
| parent | 361fdb6c24c9e341111652d2a457f2d0bf48ac1f (diff) | |
Add data block IDs for formal charges, b-factors and occupancy.
| -rw-r--r-- | include/tng_io.h | 5 |
1 files changed, 4 insertions, 1 deletions
diff --git a/include/tng_io.h b/include/tng_io.h index 7b685bb..de49a12 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -357,7 +357,10 @@ typedef enum {TNG_TRAJ_BOX_SHAPE = 10000, TNG_TRAJ_POSITIONS, TNG_TRAJ_VELOCITIES, TNG_TRAJ_FORCES, - TNG_TRAJ_PARTIAL_CHARGES} tng_trajectory_block_ids; + TNG_TRAJ_PARTIAL_CHARGES, + TNG_FORMAL_CHARGES, + TNG_B-FACTORS, + TNG_OCCUPANCY} tng_trajectory_block_ids; /** Flag to specify if a data block contains data related to particles or not.*/ typedef enum {TNG_NON_PARTICLE_BLOCK_DATA, |