TNG API  1.7.8
A flexible binary trajectory format
GROMACS data block IDs

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_T_SYSTEM   0x1000000010000077LL
 
#define TNG_GMX_ENERGY_LAMB_SYSTEM   0x1000000010000078LL
 
#define TNG_GMX_SELECTION_GROUP_NAMES   0x1000000010000079LL
 
#define TNG_GMX_ATOM_SELECTION_GROUP   0x1000000010000080LL
 

Detailed Description

Block IDs of data blocks specific to GROMACS.

Macro Definition Documentation

#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_T_SYSTEM   0x1000000010000077LL
#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