List of Available Blocks
Platform independent definitions for the block IDs can be found below.
You should NOT use these directly. Instead use the TNGFileIterator.block_ids
attribute to see the blocks and block IDs available in your TNG file.
GROUP 1: Standard non-trajectory blocks
Block IDs of standard non-trajectory blocks.
Block Name |
Block ID (long long) |
|---|---|
TNG_GENERAL_INFO |
0x0000000000000000LL |
TNG_MOLECULES |
0x0000000000000001LL |
TNG_TRAJECTORY_FRAME_SET |
0x0000000000000002LL |
TNG_PARTICLE_MAPPING |
0x0000000000000003LL |
GROUP 2: Standard trajectory blocks
Block IDs of standard trajectory blocks. Box shape and partial charges can be either trajectory blocks or non-trajectory blocks
Block Name |
Block ID (long long) |
|---|---|
TNG_TRAJ_BOX_SHAPE |
0x0000000010000000LL |
TNG_TRAJ_POSITIONS |
0x0000000010000001LL |
TNG_TRAJ_VELOCITIES |
0x0000000010000002LL |
TNG_TRAJ_FORCES |
0x0000000010000003LL |
TNG_TRAJ_PARTIAL_CHARGES |
0x0000000010000004LL |
TNG_TRAJ_FORMAL_CHARGES |
0x0000000010000005LL |
TNG_TRAJ_B_FACTORS |
0x0000000010000006LL |
TNG_TRAJ_ANISOTROPIC_B_FACTORS |
0x0000000010000007LL |
TNG_TRAJ_OCCUPANCY |
0x0000000010000008LL |
TNG_TRAJ_GENERAL_COMMENTS |
0x0000000010000009LL |
TNG_TRAJ_MASSES |
0x0000000010000010LL |
GROUP 3: GROMACS data block IDs
Block IDs of data blocks specific to GROMACS.
Block Name |
Block ID (long long) |
|---|---|
TNG_GMX_LAMBDA |
0x1000000010000000LL |
TNG_GMX_ENERGY_ANGLE |
0x1000000010000001LL |
TNG_GMX_ENERGY_RYCKAERT_BELL |
0x1000000010000002LL |
TNG_GMX_ENERGY_LJ_14 |
0x1000000010000003LL |
TNG_GMX_ENERGY_COULOMB_14 |
0x1000000010000004LL |
TNG_GMX_ENERGY_LJ_SR |
0x1000000010000005LL |
TNG_GMX_ENERGY_COULOMB_SR |
0x1000000010000006LL |
TNG_GMX_ENERGY_COUL_RECIP |
0x1000000010000007LL |
TNG_GMX_ENERGY_POTENTIAL |
0x1000000010000008LL |
TNG_GMX_ENERGY_KINETIC_EN |
0x1000000010000009LL |
TNG_GMX_ENERGY_TOTAL_ENERGY |
0x1000000010000010LL |
TNG_GMX_ENERGY_TEMPERATURE |
0x1000000010000011LL |
TNG_GMX_ENERGY_PRESSURE |
0x1000000010000012LL |
TNG_GMX_ENERGY_CONSTR_RMSD |
0x1000000010000013LL |
TNG_GMX_ENERGY_CONSTR2_RMSD |
0x1000000010000014LL |
TNG_GMX_ENERGY_BOX_X |
0x1000000010000015LL |
TNG_GMX_ENERGY_BOX_Y |
0x1000000010000016LL |
TNG_GMX_ENERGY_BOX_Z |
0x1000000010000017LL |
TNG_GMX_ENERGY_BOXXX |
0x1000000010000018LL |
TNG_GMX_ENERGY_BOXYY |
0x1000000010000019LL |
TNG_GMX_ENERGY_BOXZZ |
0x1000000010000020LL |
TNG_GMX_ENERGY_BOXYX |
0x1000000010000021LL |
TNG_GMX_ENERGY_BOXZX |
0x1000000010000022LL |
TNG_GMX_ENERGY_BOXZY |
0x1000000010000023LL |
TNG_GMX_ENERGY_BOXVELXX |
0x1000000010000024LL |
TNG_GMX_ENERGY_BOXVELYY |
0x1000000010000025LL |
TNG_GMX_ENERGY_BOXVELZZ |
0x1000000010000026LL |
TNG_GMX_ENERGY_BOXVELYX |
0x1000000010000027LL |
TNG_GMX_ENERGY_BOXVELZX |
0x1000000010000028LL |
TNG_GMX_ENERGY_BOXVELZY |
0x1000000010000029LL |
TNG_GMX_ENERGY_VOLUME |
0x1000000010000030LL |
TNG_GMX_ENERGY_DENSITY |
0x1000000010000031LL |
TNG_GMX_ENERGY_PV |
0x1000000010000032LL |
TNG_GMX_ENERGY_ENTHALPY |
0x1000000010000033LL |
TNG_GMX_ENERGY_VIR_XX |
0x1000000010000034LL |
TNG_GMX_ENERGY_VIR_XY |
0x1000000010000035LL |
TNG_GMX_ENERGY_VIR_XZ |
0x1000000010000036LL |
TNG_GMX_ENERGY_VIR_YX |
0x1000000010000037LL |
TNG_GMX_ENERGY_VIR_YY |
0x1000000010000038LL |
TNG_GMX_ENERGY_VIR_YZ |
0x1000000010000039LL |
TNG_GMX_ENERGY_VIR_ZX |
0x1000000010000040LL |
TNG_GMX_ENERGY_VIR_ZY |
0x1000000010000041LL |
TNG_GMX_ENERGY_VIR_ZZ |
0x1000000010000042LL |
TNG_GMX_ENERGY_SHAKEVIR_XX |
0x1000000010000043LL |
TNG_GMX_ENERGY_SHAKEVIR_XY |
0x1000000010000044LL |
TNG_GMX_ENERGY_SHAKEVIR_XZ |
0x1000000010000045LL |
TNG_GMX_ENERGY_SHAKEVIR_YX |
0x1000000010000046LL |
TNG_GMX_ENERGY_SHAKEVIR_YY |
0x1000000010000047LL |
TNG_GMX_ENERGY_SHAKEVIR_YZ |
0x1000000010000048LL |
TNG_GMX_ENERGY_SHAKEVIR_ZX |
0x1000000010000049LL |
TNG_GMX_ENERGY_SHAKEVIR_ZY |
0x1000000010000050LL |
TNG_GMX_ENERGY_SHAKEVIR_ZZ |
0x1000000010000051LL |
TNG_GMX_ENERGY_FORCEVIR_XX |
0x1000000010000052LL |
TNG_GMX_ENERGY_FORCEVIR_XY |
0x1000000010000053LL |
TNG_GMX_ENERGY_FORCEVIR_XZ |
0x1000000010000054LL |
TNG_GMX_ENERGY_FORCEVIR_YX |
0x1000000010000055LL |
TNG_GMX_ENERGY_FORCEVIR_YY |
0x1000000010000056LL |
TNG_GMX_ENERGY_FORCEVIR_YZ |
0x1000000010000057LL |
TNG_GMX_ENERGY_FORCEVIR_ZX |
0x1000000010000058LL |
TNG_GMX_ENERGY_FORCEVIR_ZY |
0x1000000010000059LL |
TNG_GMX_ENERGY_FORCEVIR_ZZ |
0x1000000010000060LL |
TNG_GMX_ENERGY_PRES_XX |
0x1000000010000061LL |
TNG_GMX_ENERGY_PRES_XY |
0x1000000010000062LL |
TNG_GMX_ENERGY_PRES_XZ |
0x1000000010000063LL |
TNG_GMX_ENERGY_PRES_YX |
0x1000000010000064LL |
TNG_GMX_ENERGY_PRES_YY |
0x1000000010000065LL |
TNG_GMX_ENERGY_PRES_YZ |
0x1000000010000066LL |
TNG_GMX_ENERGY_PRES_ZX |
0x1000000010000067LL |
TNG_GMX_ENERGY_PRES_ZY |
0x1000000010000068LL |
TNG_GMX_ENERGY_PRES_ZZ |
0x1000000010000069LL |
TNG_GMX_ENERGY_SURFXSURFTEN |
0x1000000010000070LL |
TNG_GMX_ENERGY_MUX |
0x1000000010000071LL |
TNG_GMX_ENERGY_MUY |
0x1000000010000072LL |
TNG_GMX_ENERGY_MUZ |
0x1000000010000073LL |
TNG_GMX_ENERGY_VCOS |
0x1000000010000074LL |
TNG_GMX_ENERGY_VISC |
0x1000000010000075LL |
TNG_GMX_ENERGY_BAROSTAT |
0x1000000010000076LL |
TNG_GMX_ENERGY_T_SYSTEM |
0x1000000010000077LL |
TNG_GMX_ENERGY_LAMB_SYSTEM |
0x1000000010000078LL |
TNG_GMX_SELECTION_GROUP_NAMES |
0x1000000010000079LL |
TNG_GMX_ATOM_SELECTION_GROUP |
0x1000000010000080LL |