List of Available Blocks ======================== Platform independent definitions for the block IDs can be found below. You should **NOT** use these directly. Instead use the :attr:`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 | +--------------------------------+----------------------+