force_fields.h File Reference

Variable declarations for the creation of the force field database. More...

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Variables
int	amber94_objects [14]
int	amber94_dim [14]
char *	amber94_atoms [2][4]
char *	amber94_equi [2][15]
char *	amber94_bonds [83][5]
char *	amber94_angles [191][6]
char *	amber94_dihedrals [81][9]
char *	amber94_impropers [31][8]
char *	amber94_vdw [34][4]
int	amber96_objects [14]
int	amber96_dim [14]
char *	amber96_atoms [2][4]
char *	amber96_equi [2][15]
char *	amber96_bonds [83][5]
char *	amber96_angles [191][6]
char *	amber96_dihedrals [81][9]
char *	amber96_impropers [31][8]
char *	amber96_vdw [35][4]
int	amber98_objects [14]
int	amber98_dim [14]
char *	amber98_atoms [2][4]
char *	amber98_equi [2][15]
char *	amber98_bonds [83][5]
char *	amber98_angles [191][6]
char *	amber98_dihedrals [83][9]
char *	amber98_impropers [31][8]
char *	amber98_vdw [35][4]
int	amber99_objects [14]
int	amber99_dim [14]
char *	amber99_atoms [2][5]
char *	amber99_equi [2][15]
char *	amber99_bonds [116][5]
char *	amber99_angles [281][6]
char *	amber99_dihedrals [164][9]
char *	amber99_impropers [38][8]
char *	amber99_vdw [42][4]
int	charmm22_prot_objects [14]
int	charmm22_prot_dim [14]
char *	charmm22_prot_atoms [47][5]
char *	charmm22_prot_bonds [122][5]
char *	charmm22_prot_angles [324][8]
char *	charmm22_prot_dihedrals [445][8]
char *	charmm22_prot_impropers [34][8]
char *	charmm22_prot_vdw [47][6]
int	charmm22_prot_metals_objects [14]
int	charmm22_prot_metals_dim [14]
char *	charmm22_prot_metals_atoms [98][5]
char *	charmm22_prot_metals_bonds [139][5]
char *	charmm22_prot_metals_angles [345][8]
char *	charmm22_prot_metals_dihedrals [452][8]
char *	charmm22_prot_metals_impropers [43][8]
char *	charmm22_prot_metals_vdw [98][6]
int	charmm35_ethers_objects [14]
int	charmm35_ethers_dim [14]
char *	charmm35_ethers_atoms [13][5]
char *	charmm35_ethers_bonds [22][5]
char *	charmm35_ethers_angles [55][8]
char *	charmm35_ethers_dihedrals [106][8]
char *	charmm35_ethers_vdw [13][6]
int	charmm36_carb_objects [14]
int	charmm36_carb_dim [14]
char *	charmm36_carb_atoms [59][5]
char *	charmm36_carb_bonds [153][5]
char *	charmm36_carb_angles [438][8]
char *	charmm36_carb_dihedrals [1354][8]
char *	charmm36_carb_impropers [14][8]
char *	charmm36_carb_vdw [57][6]
int	charmm36_cgenff_objects [14]
int	charmm36_cgenff_dim [14]
char *	charmm36_cgenff_atoms [163][5]
char *	charmm36_cgenff_bonds [506][5]
char *	charmm36_cgenff_angles [1561][8]
char *	charmm36_cgenff_dihedrals [3937][8]
char *	charmm36_cgenff_impropers [125][8]
char *	charmm36_cgenff_vdw [156][6]
int	charmm36_lipid_objects [14]
int	charmm36_lipid_dim [14]
char *	charmm36_lipid_atoms [29][5]
char *	charmm36_lipid_bonds [50][5]
char *	charmm36_lipid_angles [131][8]
char *	charmm36_lipid_dihedrals [180][8]
char *	charmm36_lipid_impropers [4][8]
char *	charmm36_lipid_vdw [29][6]
int	charmm36m_prot_objects [14]
int	charmm36m_prot_dim [14]
char *	charmm36m_prot_atoms [53][5]
char *	charmm36m_prot_bonds [132][5]
char *	charmm36m_prot_angles [364][8]
char *	charmm36m_prot_dihedrals [706][8]
char *	charmm36m_prot_impropers [35][8]
char *	charmm36m_prot_vdw [53][6]
int	charmm36_na_objects [14]
int	charmm36_na_dim [14]
char *	charmm36_na_atoms [42][5]
char *	charmm36_na_bonds [89][5]
char *	charmm36_na_angles [226][8]
char *	charmm36_na_dihedrals [502][8]
char *	charmm36_na_impropers [15][8]
char *	charmm36_na_vdw [42][6]
int	charmm36_prot_objects [14]
int	charmm36_prot_dim [14]
char *	charmm36_prot_atoms [53][5]
char *	charmm36_prot_bonds [132][5]
char *	charmm36_prot_angles [364][8]
char *	charmm36_prot_dihedrals [705][8]
char *	charmm36_prot_impropers [35][8]
char *	charmm36_prot_vdw [53][6]
int	charmm_silicates_objects [14]
int	charmm_silicates_dim [14]
char *	charmm_silicates_atoms [13][5]
char *	charmm_silicates_bonds [14][5]
char *	charmm_silicates_angles [27][8]
char *	charmm_silicates_dihedrals [34][8]
char *	charmm_silicates_vdw [13][6]
int	Compass_objects [14]
int	Compass_dim [14]
char *	Compass_atoms [45][5]
char *	Compass_equivalence [46][7]
char *	Compass_bonds [54][7]
char *	Compass_angles [94][8]
char *	Compass_torsions [95][11]
char *	Compass_inversions [22][7]
char *	Compass_vdw [46][4]
char *	Compass_bond_increments [55][5]
int	PCFF_objects [14]
int	PCFF_dim [14]
char *	PCFF_atoms [133][5]
char *	PCFF_equivalence_auto [108][11]
char *	PCFF_equivalence [134][7]
char *	PCFF_bonds_auto [627][5]
char *	PCFF_bonds [126][7]
char *	PCFF_angles_auto [329][6]
char *	PCFF_angles [302][8]
char *	PCFF_torsions_auto [216][8]
char *	PCFF_torsions [492][11]
char *	PCFF_inversions [83][7]
char *	PCFF_vdw [94][4]
char *	PCFF_bond_increments [564][5]
int	CFF91_objects [14]
int	CFF91_dim [14]
char *	CFF91_atoms [93][5]
char *	CFF91_equivalence_auto [97][11]
char *	CFF91_equivalence [95][7]
char *	CFF91_bonds_auto [667][5]
char *	CFF91_bonds [58][7]
char *	CFF91_angles_auto [330][6]
char *	CFF91_angles [155][8]
char *	CFF91_torsions_auto [216][8]
char *	CFF91_torsions [294][11]
char *	CFF91_inversions [70][7]
char *	CFF91_vdw [40][4]
char *	CFF91_bond_increments [560][5]
int	CVFF_objects [14]
int	CVFF_dim [14]
char *	CVFF_atoms [133][5]
char *	CVFF_equivalence_auto [123][11]
char *	CVFF_equivalence [129][7]
char *	CVFF_bonds_auto [776][5]
char *	CVFF_morse_bonds [775][6]
char *	CVFF_angles_auto [563][6]
char *	CVFF_torsions_auto [295][8]
char *	CVFF_impropers [41][8]
char *	CVFF_vdw [45][4]
char *	CVFF_bond_increments [683][5]
int	CVFF_aug_objects [14]
int	CVFF_aug_dim [14]
char *	CVFF_aug_atoms [172][5]
char *	CVFF_aug_equivalence_auto [162][11]
char *	CVFF_aug_equivalence [168][7]
char *	CVFF_aug_bonds_auto [798][5]
char *	CVFF_aug_morse_bonds [752][6]
char *	CVFF_aug_angles_auto [640][6]
char *	CVFF_aug_torsions_auto [342][8]
char *	CVFF_aug_impropers [41][8]
char *	CVFF_aug_vdw [86][4]
char *	CVFF_aug_bond_increments [717][5]
int	OPLSAAM_objects [14]
int	OPLSAAM_dim [14]
char *	OPLSAAM_atoms [78][4]
char *	OPLSAAM_bonds [159][5]
char *	OPLSAAM_angles [437][5]
char *	OPLSAAM_dihedrals [1446][7]
char *	OPLSAAM_impropers [105][7]
char *	OPLSAAM_vdw [78][7]
int	OPLSAAR_objects [14]
int	OPLSAAR_dim [14]
char *	OPLSAAR_atoms [145][4]
char *	OPLSAAR_bonds [242][5]
char *	OPLSAAR_angles [593][5]
char *	OPLSAAR_dihedrals [2482][7]
char *	OPLSAAR_impropers [131][7]
char *	OPLSAAR_vdw [145][7]

Detailed Description

Variable declarations for the creation of the force field database.

Author

Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file force_fields.h.

Variable Documentation

amber94_angles

char* amber94_angles[191][6]

extern

amber94_atoms

char* amber94_atoms[2][4]

extern

amber94_bonds

char* amber94_bonds[83][5]

extern

amber94_dihedrals

char* amber94_dihedrals[81][9]

extern

amber94_dim

int amber94_dim[14]

extern

amber94_equi

char* amber94_equi[2][15]

extern

amber94_impropers

char* amber94_impropers[31][8]

extern

amber94_objects

int amber94_objects[14]

extern

amber94_vdw

char* amber94_vdw[34][4]

extern

amber96_angles

char* amber96_angles[191][6]

extern

amber96_atoms

char* amber96_atoms[2][4]

extern

amber96_bonds

char* amber96_bonds[83][5]

extern

amber96_dihedrals

char* amber96_dihedrals[81][9]

extern

amber96_dim

int amber96_dim[14]

extern

amber96_equi

char* amber96_equi[2][15]

extern

amber96_impropers

char* amber96_impropers[31][8]

extern

amber96_objects

int amber96_objects[14]

extern

amber96_vdw

char* amber96_vdw[35][4]

extern

amber98_angles

char* amber98_angles[191][6]

extern

amber98_atoms

char* amber98_atoms[2][4]

extern

amber98_bonds

char* amber98_bonds[83][5]

extern

amber98_dihedrals

char* amber98_dihedrals[83][9]

extern

amber98_dim

int amber98_dim[14]

extern

amber98_equi

char* amber98_equi[2][15]

extern

amber98_impropers

char* amber98_impropers[31][8]

extern

amber98_objects

int amber98_objects[14]

extern

amber98_vdw

char* amber98_vdw[35][4]

extern

amber99_angles

char* amber99_angles[281][6]

extern

amber99_atoms

char* amber99_atoms[2][5]

extern

amber99_bonds

char* amber99_bonds[116][5]

extern

amber99_dihedrals

char* amber99_dihedrals[164][9]

extern

amber99_dim

int amber99_dim[14]

extern

amber99_equi

char* amber99_equi[2][15]

extern

amber99_impropers

char* amber99_impropers[38][8]

extern

amber99_objects

int amber99_objects[14]

extern

amber99_vdw

char* amber99_vdw[42][4]

extern

CFF91_angles

char* CFF91_angles[155][8]

extern

CFF91_angles_auto

char* CFF91_angles_auto[330][6]

extern

CFF91_atoms

char* CFF91_atoms[93][5]

extern

CFF91_bond_increments

char* CFF91_bond_increments[560][5]

extern

CFF91_bonds

char* CFF91_bonds[58][7]

extern

CFF91_bonds_auto

char* CFF91_bonds_auto[667][5]

extern

CFF91_dim

int CFF91_dim[14]

extern

CFF91_equivalence

char* CFF91_equivalence[95][7]

extern

CFF91_equivalence_auto

char* CFF91_equivalence_auto[97][11]

extern

CFF91_inversions

char* CFF91_inversions[70][7]

extern

CFF91_objects

int CFF91_objects[14]

extern

CFF91_torsions

char* CFF91_torsions[294][11]

extern

CFF91_torsions_auto

char* CFF91_torsions_auto[216][8]

extern

CFF91_vdw

char* CFF91_vdw[40][4]

extern

charmm22_prot_angles

char* charmm22_prot_angles[324][8]

extern

charmm22_prot_atoms

char* charmm22_prot_atoms[47][5]

extern

charmm22_prot_bonds

char* charmm22_prot_bonds[122][5]

extern

charmm22_prot_dihedrals

char* charmm22_prot_dihedrals[445][8]

extern

charmm22_prot_dim

int charmm22_prot_dim[14]

extern

charmm22_prot_impropers

char* charmm22_prot_impropers[34][8]

extern

charmm22_prot_metals_angles

char* charmm22_prot_metals_angles[345][8]

extern

charmm22_prot_metals_atoms

char* charmm22_prot_metals_atoms[98][5]

extern

charmm22_prot_metals_bonds

char* charmm22_prot_metals_bonds[139][5]

extern

charmm22_prot_metals_dihedrals

char* charmm22_prot_metals_dihedrals[452][8]

extern

charmm22_prot_metals_dim

int charmm22_prot_metals_dim[14]

extern

charmm22_prot_metals_impropers

char* charmm22_prot_metals_impropers[43][8]

extern

charmm22_prot_metals_objects

int charmm22_prot_metals_objects[14]

extern

charmm22_prot_metals_vdw

char* charmm22_prot_metals_vdw[98][6]

extern

charmm22_prot_objects

int charmm22_prot_objects[14]

extern

charmm22_prot_vdw

char* charmm22_prot_vdw[47][6]

extern

charmm35_ethers_angles

char* charmm35_ethers_angles[55][8]

extern

charmm35_ethers_atoms

char* charmm35_ethers_atoms[13][5]

extern

charmm35_ethers_bonds

char* charmm35_ethers_bonds[22][5]

extern

charmm35_ethers_dihedrals

char* charmm35_ethers_dihedrals[106][8]

extern

charmm35_ethers_dim

int charmm35_ethers_dim[14]

extern

charmm35_ethers_objects

int charmm35_ethers_objects[14]

extern

charmm35_ethers_vdw

char* charmm35_ethers_vdw[13][6]

extern

charmm36_carb_angles

char* charmm36_carb_angles[438][8]

extern

charmm36_carb_atoms

char* charmm36_carb_atoms[59][5]

extern

charmm36_carb_bonds

char* charmm36_carb_bonds[153][5]

extern

charmm36_carb_dihedrals

char* charmm36_carb_dihedrals[1354][8]

extern

charmm36_carb_dim

int charmm36_carb_dim[14]

extern

charmm36_carb_impropers

char* charmm36_carb_impropers[14][8]

extern

charmm36_carb_objects

int charmm36_carb_objects[14]

extern

charmm36_carb_vdw

char* charmm36_carb_vdw[57][6]

extern

charmm36_cgenff_angles

char* charmm36_cgenff_angles[1561][8]

extern

charmm36_cgenff_atoms

char* charmm36_cgenff_atoms[163][5]

extern

charmm36_cgenff_bonds

char* charmm36_cgenff_bonds[506][5]

extern

charmm36_cgenff_dihedrals

char* charmm36_cgenff_dihedrals[3937][8]

extern

charmm36_cgenff_dim

int charmm36_cgenff_dim[14]

extern

charmm36_cgenff_impropers

char* charmm36_cgenff_impropers[125][8]

extern

charmm36_cgenff_objects

int charmm36_cgenff_objects[14]

extern

charmm36_cgenff_vdw

char* charmm36_cgenff_vdw[156][6]

extern

charmm36_lipid_angles

char* charmm36_lipid_angles[131][8]

extern

charmm36_lipid_atoms

char* charmm36_lipid_atoms[29][5]

extern

charmm36_lipid_bonds

char* charmm36_lipid_bonds[50][5]

extern

charmm36_lipid_dihedrals

char* charmm36_lipid_dihedrals[180][8]

extern

charmm36_lipid_dim

int charmm36_lipid_dim[14]

extern

charmm36_lipid_impropers

char* charmm36_lipid_impropers[4][8]

extern

charmm36_lipid_objects

int charmm36_lipid_objects[14]

extern

charmm36_lipid_vdw

char* charmm36_lipid_vdw[29][6]

extern

charmm36_na_angles

char* charmm36_na_angles[226][8]

extern

charmm36_na_atoms

char* charmm36_na_atoms[42][5]

extern

charmm36_na_bonds

char* charmm36_na_bonds[89][5]

extern

charmm36_na_dihedrals

char* charmm36_na_dihedrals[502][8]

extern

charmm36_na_dim

int charmm36_na_dim[14]

extern

charmm36_na_impropers

char* charmm36_na_impropers[15][8]

extern

charmm36_na_objects

int charmm36_na_objects[14]

extern

charmm36_na_vdw

char* charmm36_na_vdw[42][6]

extern

charmm36_prot_angles

char* charmm36_prot_angles[364][8]

extern

charmm36_prot_atoms

char* charmm36_prot_atoms[53][5]

extern

charmm36_prot_bonds

char* charmm36_prot_bonds[132][5]

extern

charmm36_prot_dihedrals

char* charmm36_prot_dihedrals[705][8]

extern

charmm36_prot_dim

int charmm36_prot_dim[14]

extern

charmm36_prot_impropers

char* charmm36_prot_impropers[35][8]

extern

charmm36_prot_objects

int charmm36_prot_objects[14]

extern

charmm36_prot_vdw

char* charmm36_prot_vdw[53][6]

extern

charmm36m_prot_angles

char* charmm36m_prot_angles[364][8]

extern

charmm36m_prot_atoms

char* charmm36m_prot_atoms[53][5]

extern

charmm36m_prot_bonds

char* charmm36m_prot_bonds[132][5]

extern

charmm36m_prot_dihedrals

char* charmm36m_prot_dihedrals[706][8]

extern

charmm36m_prot_dim

int charmm36m_prot_dim[14]

extern

charmm36m_prot_impropers

char* charmm36m_prot_impropers[35][8]

extern

charmm36m_prot_objects

int charmm36m_prot_objects[14]

extern

charmm36m_prot_vdw

char* charmm36m_prot_vdw[53][6]

extern

charmm_silicates_angles

char* charmm_silicates_angles[27][8]

extern

charmm_silicates_atoms

char* charmm_silicates_atoms[13][5]

extern

charmm_silicates_bonds

char* charmm_silicates_bonds[14][5]

extern

charmm_silicates_dihedrals

char* charmm_silicates_dihedrals[34][8]

extern

charmm_silicates_dim

int charmm_silicates_dim[14]

extern

charmm_silicates_objects

int charmm_silicates_objects[14]

extern

charmm_silicates_vdw

char* charmm_silicates_vdw[13][6]

extern

Compass_angles

char* Compass_angles[94][8]

extern

Compass_atoms

char* Compass_atoms[45][5]

extern

Compass_bond_increments

char* Compass_bond_increments[55][5]

extern

Compass_bonds

char* Compass_bonds[54][7]

extern

Compass_dim

int Compass_dim[14]

extern

Compass_equivalence

char* Compass_equivalence[46][7]

extern

Compass_inversions

char* Compass_inversions[22][7]

extern

Compass_objects

int Compass_objects[14]

extern

Compass_torsions

char* Compass_torsions[95][11]

extern

Compass_vdw

char* Compass_vdw[46][4]

extern

CVFF_angles_auto

char* CVFF_angles_auto[563][6]

extern

CVFF_atoms

char* CVFF_atoms[133][5]

extern

CVFF_aug_angles_auto

char* CVFF_aug_angles_auto[640][6]

extern

CVFF_aug_atoms

char* CVFF_aug_atoms[172][5]

extern

CVFF_aug_bond_increments

char* CVFF_aug_bond_increments[717][5]

extern

CVFF_aug_bonds_auto

char* CVFF_aug_bonds_auto[798][5]

extern

CVFF_aug_dim

int CVFF_aug_dim[14]

extern

CVFF_aug_equivalence

char* CVFF_aug_equivalence[168][7]

extern

CVFF_aug_equivalence_auto

char* CVFF_aug_equivalence_auto[162][11]

extern

CVFF_aug_impropers

char* CVFF_aug_impropers[41][8]

extern

CVFF_aug_morse_bonds

char* CVFF_aug_morse_bonds[752][6]

extern

CVFF_aug_objects

int CVFF_aug_objects[14]

extern

CVFF_aug_torsions_auto

char* CVFF_aug_torsions_auto[342][8]

extern

CVFF_aug_vdw

char* CVFF_aug_vdw[86][4]

extern

CVFF_bond_increments

char* CVFF_bond_increments[683][5]

extern

CVFF_bonds_auto

char* CVFF_bonds_auto[776][5]

extern

CVFF_dim

int CVFF_dim[14]

extern

CVFF_equivalence

char* CVFF_equivalence[129][7]

extern

CVFF_equivalence_auto

char* CVFF_equivalence_auto[123][11]

extern

CVFF_impropers

char* CVFF_impropers[41][8]

extern

CVFF_morse_bonds

char* CVFF_morse_bonds[775][6]

extern

CVFF_objects

int CVFF_objects[14]

extern

CVFF_torsions_auto

char* CVFF_torsions_auto[295][8]

extern

CVFF_vdw

char* CVFF_vdw[45][4]

extern

OPLSAAM_angles

char* OPLSAAM_angles[437][5]

extern

OPLSAAM_atoms

char* OPLSAAM_atoms[78][4]

extern

OPLSAAM_bonds

char* OPLSAAM_bonds[159][5]

extern

OPLSAAM_dihedrals

char* OPLSAAM_dihedrals[1446][7]

extern

OPLSAAM_dim

int OPLSAAM_dim[14]

extern

OPLSAAM_impropers

char* OPLSAAM_impropers[105][7]

extern

OPLSAAM_objects

int OPLSAAM_objects[14]

extern

OPLSAAM_vdw

char* OPLSAAM_vdw[78][7]

extern

OPLSAAR_angles

char* OPLSAAR_angles[593][5]

extern

OPLSAAR_atoms

char* OPLSAAR_atoms[145][4]

extern

OPLSAAR_bonds

char* OPLSAAR_bonds[242][5]

extern

OPLSAAR_dihedrals

char* OPLSAAR_dihedrals[2482][7]

extern

OPLSAAR_dim

int OPLSAAR_dim[14]

extern

OPLSAAR_impropers

char* OPLSAAR_impropers[131][7]

extern

OPLSAAR_objects

int OPLSAAR_objects[14]

extern

OPLSAAR_vdw

char* OPLSAAR_vdw[145][7]

extern

PCFF_angles

char* PCFF_angles[302][8]

extern

PCFF_angles_auto

char* PCFF_angles_auto[329][6]

extern

PCFF_atoms

char* PCFF_atoms[133][5]

extern

PCFF_bond_increments

char* PCFF_bond_increments[564][5]

extern

PCFF_bonds

char* PCFF_bonds[126][7]

extern

PCFF_bonds_auto

char* PCFF_bonds_auto[627][5]

extern

PCFF_dim

int PCFF_dim[14]

extern

PCFF_equivalence

char* PCFF_equivalence[134][7]

extern

PCFF_equivalence_auto

char* PCFF_equivalence_auto[108][11]

extern

PCFF_inversions

char* PCFF_inversions[83][7]

extern

PCFF_objects

int PCFF_objects[14]

extern

PCFF_torsions

char* PCFF_torsions[492][11]

extern

PCFF_torsions_auto

char* PCFF_torsions_auto[216][8]

extern

PCFF_vdw

char* PCFF_vdw[94][4]

extern