TNG API
1.8.2
A flexible binary trajectory format
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Macros | |
#define | TNG_GMX_LAMBDA 0x1000000010000000LL |
#define | TNG_GMX_ENERGY_ANGLE 0x1000000010000001LL |
#define | TNG_GMX_ENERGY_RYCKAERT_BELL 0x1000000010000002LL |
#define | TNG_GMX_ENERGY_LJ_14 0x1000000010000003LL |
#define | TNG_GMX_ENERGY_COULOMB_14 0x1000000010000004LL |
#define | TNG_GMX_ENERGY_COUL_RECIP 0x1000000010000007LL |
#define | TNG_GMX_ENERGY_POTENTIAL 0x1000000010000008LL |
#define | TNG_GMX_ENERGY_KINETIC_EN 0x1000000010000009LL |
#define | TNG_GMX_ENERGY_TOTAL_ENERGY 0x1000000010000010LL |
#define | TNG_GMX_ENERGY_TEMPERATURE 0x1000000010000011LL |
#define | TNG_GMX_ENERGY_PRESSURE 0x1000000010000012LL |
#define | TNG_GMX_ENERGY_CONSTR_RMSD 0x1000000010000013LL |
#define | TNG_GMX_ENERGY_CONSTR2_RMSD 0x1000000010000014LL |
#define | TNG_GMX_ENERGY_BOX_X 0x1000000010000015LL |
#define | TNG_GMX_ENERGY_BOX_Y 0x1000000010000016LL |
#define | TNG_GMX_ENERGY_BOX_Z 0x1000000010000017LL |
#define | TNG_GMX_ENERGY_BOXXX 0x1000000010000018LL |
#define | TNG_GMX_ENERGY_BOXYY 0x1000000010000019LL |
#define | TNG_GMX_ENERGY_BOXZZ 0x1000000010000020LL |
#define | TNG_GMX_ENERGY_BOXYX 0x1000000010000021LL |
#define | TNG_GMX_ENERGY_BOXZX 0x1000000010000022LL |
#define | TNG_GMX_ENERGY_BOXZY 0x1000000010000023LL |
#define | TNG_GMX_ENERGY_BOXVELXX 0x1000000010000024LL |
#define | TNG_GMX_ENERGY_BOXVELYY 0x1000000010000025LL |
#define | TNG_GMX_ENERGY_BOXVELZZ 0x1000000010000026LL |
#define | TNG_GMX_ENERGY_BOXVELYX 0x1000000010000027LL |
#define | TNG_GMX_ENERGY_BOXVELZX 0x1000000010000028LL |
#define | TNG_GMX_ENERGY_BOXVELZY 0x1000000010000029LL |
#define | TNG_GMX_ENERGY_VOLUME 0x1000000010000030LL |
#define | TNG_GMX_ENERGY_DENSITY 0x1000000010000031LL |
#define | TNG_GMX_ENERGY_PV 0x1000000010000032LL |
#define | TNG_GMX_ENERGY_ENTHALPY 0x1000000010000033LL |
#define | TNG_GMX_ENERGY_VIR_XX 0x1000000010000034LL |
#define | TNG_GMX_ENERGY_VIR_XY 0x1000000010000035LL |
#define | TNG_GMX_ENERGY_VIR_XZ 0x1000000010000036LL |
#define | TNG_GMX_ENERGY_VIR_YX 0x1000000010000037LL |
#define | TNG_GMX_ENERGY_VIR_YY 0x1000000010000038LL |
#define | TNG_GMX_ENERGY_VIR_YZ 0x1000000010000039LL |
#define | TNG_GMX_ENERGY_VIR_ZX 0x1000000010000040LL |
#define | TNG_GMX_ENERGY_VIR_ZY 0x1000000010000041LL |
#define | TNG_GMX_ENERGY_VIR_ZZ 0x1000000010000042LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_XX 0x1000000010000043LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_XY 0x1000000010000044LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_XZ 0x1000000010000045LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_YX 0x1000000010000046LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_YY 0x1000000010000047LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_YZ 0x1000000010000048LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_ZX 0x1000000010000049LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_ZY 0x1000000010000050LL |
#define | TNG_GMX_ENERGY_SHAKEVIR_ZZ 0x1000000010000051LL |
#define | TNG_GMX_ENERGY_FORCEVIR_XX 0x1000000010000052LL |
#define | TNG_GMX_ENERGY_FORCEVIR_XY 0x1000000010000053LL |
#define | TNG_GMX_ENERGY_FORCEVIR_XZ 0x1000000010000054LL |
#define | TNG_GMX_ENERGY_FORCEVIR_YX 0x1000000010000055LL |
#define | TNG_GMX_ENERGY_FORCEVIR_YY 0x1000000010000056LL |
#define | TNG_GMX_ENERGY_FORCEVIR_YZ 0x1000000010000057LL |
#define | TNG_GMX_ENERGY_FORCEVIR_ZX 0x1000000010000058LL |
#define | TNG_GMX_ENERGY_FORCEVIR_ZY 0x1000000010000059LL |
#define | TNG_GMX_ENERGY_FORCEVIR_ZZ 0x1000000010000060LL |
#define | TNG_GMX_ENERGY_PRES_XX 0x1000000010000061LL |
#define | TNG_GMX_ENERGY_PRES_XY 0x1000000010000062LL |
#define | TNG_GMX_ENERGY_PRES_XZ 0x1000000010000063LL |
#define | TNG_GMX_ENERGY_PRES_YX 0x1000000010000064LL |
#define | TNG_GMX_ENERGY_PRES_YY 0x1000000010000065LL |
#define | TNG_GMX_ENERGY_PRES_YZ 0x1000000010000066LL |
#define | TNG_GMX_ENERGY_PRES_ZX 0x1000000010000067LL |
#define | TNG_GMX_ENERGY_PRES_ZY 0x1000000010000068LL |
#define | TNG_GMX_ENERGY_PRES_ZZ 0x1000000010000069LL |
#define | TNG_GMX_ENERGY_SURFXSURFTEN 0x1000000010000070LL |
#define | TNG_GMX_ENERGY_MUX 0x1000000010000071LL |
#define | TNG_GMX_ENERGY_MUY 0x1000000010000072LL |
#define | TNG_GMX_ENERGY_MUZ 0x1000000010000073LL |
#define | TNG_GMX_ENERGY_VCOS 0x1000000010000074LL |
#define | TNG_GMX_ENERGY_VISC 0x1000000010000075LL |
#define | TNG_GMX_ENERGY_BAROSTAT 0x1000000010000076LL |
#define | TNG_GMX_ENERGY_LAMB_SYSTEM 0x1000000010000078LL |
#define | TNG_GMX_SELECTION_GROUP_NAMES 0x1000000010000079LL |
#define | TNG_GMX_ATOM_SELECTION_GROUP 0x1000000010000080LL |
Block IDs of data blocks specific to GROMACS.
#define TNG_GMX_ATOM_SELECTION_GROUP 0x1000000010000080LL |
#define TNG_GMX_ENERGY_ANGLE 0x1000000010000001LL |
#define TNG_GMX_ENERGY_BAROSTAT 0x1000000010000076LL |
#define TNG_GMX_ENERGY_BOX_X 0x1000000010000015LL |
#define TNG_GMX_ENERGY_BOX_Y 0x1000000010000016LL |
#define TNG_GMX_ENERGY_BOX_Z 0x1000000010000017LL |
#define TNG_GMX_ENERGY_BOXVELXX 0x1000000010000024LL |
#define TNG_GMX_ENERGY_BOXVELYX 0x1000000010000027LL |
#define TNG_GMX_ENERGY_BOXVELYY 0x1000000010000025LL |
#define TNG_GMX_ENERGY_BOXVELZX 0x1000000010000028LL |
#define TNG_GMX_ENERGY_BOXVELZY 0x1000000010000029LL |
#define TNG_GMX_ENERGY_BOXVELZZ 0x1000000010000026LL |
#define TNG_GMX_ENERGY_BOXXX 0x1000000010000018LL |
#define TNG_GMX_ENERGY_BOXYX 0x1000000010000021LL |
#define TNG_GMX_ENERGY_BOXYY 0x1000000010000019LL |
#define TNG_GMX_ENERGY_BOXZX 0x1000000010000022LL |
#define TNG_GMX_ENERGY_BOXZY 0x1000000010000023LL |
#define TNG_GMX_ENERGY_BOXZZ 0x1000000010000020LL |
#define TNG_GMX_ENERGY_CONSTR2_RMSD 0x1000000010000014LL |
#define TNG_GMX_ENERGY_CONSTR_RMSD 0x1000000010000013LL |
#define TNG_GMX_ENERGY_COUL_RECIP 0x1000000010000007LL |
#define TNG_GMX_ENERGY_COULOMB_14 0x1000000010000004LL |
#define TNG_GMX_ENERGY_DENSITY 0x1000000010000031LL |
#define TNG_GMX_ENERGY_ENTHALPY 0x1000000010000033LL |
#define TNG_GMX_ENERGY_FORCEVIR_XX 0x1000000010000052LL |
#define TNG_GMX_ENERGY_FORCEVIR_XY 0x1000000010000053LL |
#define TNG_GMX_ENERGY_FORCEVIR_XZ 0x1000000010000054LL |
#define TNG_GMX_ENERGY_FORCEVIR_YX 0x1000000010000055LL |
#define TNG_GMX_ENERGY_FORCEVIR_YY 0x1000000010000056LL |
#define TNG_GMX_ENERGY_FORCEVIR_YZ 0x1000000010000057LL |
#define TNG_GMX_ENERGY_FORCEVIR_ZX 0x1000000010000058LL |
#define TNG_GMX_ENERGY_FORCEVIR_ZY 0x1000000010000059LL |
#define TNG_GMX_ENERGY_FORCEVIR_ZZ 0x1000000010000060LL |
#define TNG_GMX_ENERGY_KINETIC_EN 0x1000000010000009LL |
#define TNG_GMX_ENERGY_LAMB_SYSTEM 0x1000000010000078LL |
#define TNG_GMX_ENERGY_LJ_14 0x1000000010000003LL |
#define TNG_GMX_ENERGY_MUX 0x1000000010000071LL |
#define TNG_GMX_ENERGY_MUY 0x1000000010000072LL |
#define TNG_GMX_ENERGY_MUZ 0x1000000010000073LL |
#define TNG_GMX_ENERGY_POTENTIAL 0x1000000010000008LL |
#define TNG_GMX_ENERGY_PRES_XX 0x1000000010000061LL |
#define TNG_GMX_ENERGY_PRES_XY 0x1000000010000062LL |
#define TNG_GMX_ENERGY_PRES_XZ 0x1000000010000063LL |
#define TNG_GMX_ENERGY_PRES_YX 0x1000000010000064LL |
#define TNG_GMX_ENERGY_PRES_YY 0x1000000010000065LL |
#define TNG_GMX_ENERGY_PRES_YZ 0x1000000010000066LL |
#define TNG_GMX_ENERGY_PRES_ZX 0x1000000010000067LL |
#define TNG_GMX_ENERGY_PRES_ZY 0x1000000010000068LL |
#define TNG_GMX_ENERGY_PRES_ZZ 0x1000000010000069LL |
#define TNG_GMX_ENERGY_PRESSURE 0x1000000010000012LL |
#define TNG_GMX_ENERGY_PV 0x1000000010000032LL |
#define TNG_GMX_ENERGY_RYCKAERT_BELL 0x1000000010000002LL |
#define TNG_GMX_ENERGY_SHAKEVIR_XX 0x1000000010000043LL |
#define TNG_GMX_ENERGY_SHAKEVIR_XY 0x1000000010000044LL |
#define TNG_GMX_ENERGY_SHAKEVIR_XZ 0x1000000010000045LL |
#define TNG_GMX_ENERGY_SHAKEVIR_YX 0x1000000010000046LL |
#define TNG_GMX_ENERGY_SHAKEVIR_YY 0x1000000010000047LL |
#define TNG_GMX_ENERGY_SHAKEVIR_YZ 0x1000000010000048LL |
#define TNG_GMX_ENERGY_SHAKEVIR_ZX 0x1000000010000049LL |
#define TNG_GMX_ENERGY_SHAKEVIR_ZY 0x1000000010000050LL |
#define TNG_GMX_ENERGY_SHAKEVIR_ZZ 0x1000000010000051LL |
#define TNG_GMX_ENERGY_SURFXSURFTEN 0x1000000010000070LL |
#define TNG_GMX_ENERGY_TEMPERATURE 0x1000000010000011LL |
#define TNG_GMX_ENERGY_TOTAL_ENERGY 0x1000000010000010LL |
#define TNG_GMX_ENERGY_VCOS 0x1000000010000074LL |
#define TNG_GMX_ENERGY_VIR_XX 0x1000000010000034LL |
#define TNG_GMX_ENERGY_VIR_XY 0x1000000010000035LL |
#define TNG_GMX_ENERGY_VIR_XZ 0x1000000010000036LL |
#define TNG_GMX_ENERGY_VIR_YX 0x1000000010000037LL |
#define TNG_GMX_ENERGY_VIR_YY 0x1000000010000038LL |
#define TNG_GMX_ENERGY_VIR_YZ 0x1000000010000039LL |
#define TNG_GMX_ENERGY_VIR_ZX 0x1000000010000040LL |
#define TNG_GMX_ENERGY_VIR_ZY 0x1000000010000041LL |
#define TNG_GMX_ENERGY_VIR_ZZ 0x1000000010000042LL |
#define TNG_GMX_ENERGY_VISC 0x1000000010000075LL |
#define TNG_GMX_ENERGY_VOLUME 0x1000000010000030LL |
#define TNG_GMX_LAMBDA 0x1000000010000000LL |
#define TNG_GMX_SELECTION_GROUP_NAMES 0x1000000010000079LL |