HADDOCK - Input form

Welcome to the Utrecht Biomolecular Interaction Web Portal >>

HADDOCK submission

Distance restraints

Instead of specifying active and passive residues, you can supply a HADDOCK restraints TBL file (ambiguous restraints)

You can supply a HADDOCK restraints TBL file with restraints that will always be enforced (unambiguous restraints)

If one of your molecules is DNA/RNA, restraints are automatically created to preserve its structure. Uncheck this option if you are docking with unstructured DNA/RNA.

Create DNA/RNA restraints?

HADDOCK deletes by default all hydrogens except those bonded to a polar atom (N, O). Uncheck this option if you have NOEs or other specific restraints to non-polar hydrogens.

Remove non-polar hydrogens?

Random patches

Define randomly ambiguous interaction restraints from accessible residues

Center of mass restraints

Define center of mass restraints to enforce contact between the molecules

Use tight center of mass restraints?

Force constant for center of mass contact restraints

Surface contact restraints

Define surface contact restraints to enforce contact between the molecules

Force constant for surface contact restraints

Random exclusion

Randomly exclude a fraction of the ambiguous restraints (AIRs)

Number of partitions for random exclusion (%excluded=100/number of partitions)

Radius of gyration restraint

Do you want to define a radius of gyration restraint (e.g from SAXS)?

Radius of gyration

Sampling parameters

Number of structures for rigid body docking

Number of trials for rigid body minimisation

Sample 180 degrees rotated solutions during rigid body EM

Number of structures for semi-flexible refinement

Sample 180 degrees rotated solutions during semi-flexible SA

Perform final refinement?

Refine with short molecular dynamics in explicit solvent?

Solvent to use

Number of structures for the final refinement

Number of structures to analyze

Solvated docking mode

Perform solvated docking

Cutoff for defining neighbouring flexible regions

Definition of flexible segments of neighboring residues of contacts

Clustering parameters

Clustering method (RMSD or Fraction of Common Contacts (FCC))

RMSD Cutoff for clustering (recommended: 7.5A for RMSD, 0.60 for FCC)

Minimum cluster size

Chain-Agnostic Algorithm (used for FCC clustering in symmetrical complexes)

Dihedral and hydrogen bonds restraints

In addition to distance restraints, you may specify dihedral and hydrogen bond restraints. These restraints can be inter- or intra-molecular.

Dihedral angle restraints TBL file

Hydrogen bond restraints TBL file

Automatically define backbone dihedral restraints from structure?

Error bound for the dihedral restraints (in degrees)

Noncrystallographic symmetry restraints

Use NCS restraints

Force constant

Number of segment pairs

NCS Segment pair 1

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 2

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 3

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 4

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 5

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 6

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 7

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 8

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 9

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 10

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

NCS Segment pair 11

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Symmetry restraints

Use symmetry restraints

Force constant

Number of C2 symmetry segment pairs

Number of C3 symmetry segment pairs

Number of C4 symmetry segment pairs

Number of C5 symmetry segment pairs

Number of C6 symmetry segment pairs

Number of S3 symmetry segment triples

C2 Segment pair 1

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 2

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 3

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 4

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 5

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 6

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 7

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 8

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 9

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 10

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C2 Segment pair 11

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

C3 Segment pair 1

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 2

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 3

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 4

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 5

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 6

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 7

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 8

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 9

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 10

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C3 Segment pair 11

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

C4 Segment pair 1

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 2

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 3

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 4

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 5

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 6

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 7

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 8

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 9

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 10

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C4 Segment pair 11

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

C5 Segment pair 1

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 2

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 3

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 4

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 5

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 6

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 7

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 8

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 9

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 10

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C5 Segment pair 11

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

C6 Segment pair 1

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 2

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 3

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 4

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 5

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 6

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 7

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 8

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 9

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 10

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

C6 Segment pair 11

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Segment 4

1st residue

2nd residue

Segment ID

Segment 5

1st residue

2nd residue

Segment ID

Segment 6

1st residue

2nd residue

Segment ID

S3 Segment pair 1

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 2

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 3

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 4

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 5

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 6

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 7

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 8

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 9

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 10

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

S3 Segment pair 11

Segment 1

1st residue

2nd residue

Segment ID

Segment 2

1st residue

2nd residue

Segment ID

Segment 3

1st residue

2nd residue

Segment ID

Restraints Energy constants

Energy constants for unambiguous restraints

Define the weights for the various terms for the sorting of structures (scoring)
1: Rigid body EM (it0)
2: semi-flexible SA (it1)
3: water refinement

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

Energy constants for ambiguous restraints

Define the weights for the various terms for the sorting of structures (scoring)
1: Rigid body EM (it0)
2: semi-flexible SA (it1)
3: water refinement

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

Energy constants for hydrogen bond restraints

Define the weights for the various terms for the sorting of structures (scoring)
1: Rigid body EM (it0)
2: semi-flexible SA (it1)
3: water refinement

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

Energy constants for dihedral angle restraints

hot

cool1

cool2

cool3

Energy constants for radius-of-gyration restraints

hot

cool1

cool2

cool3

Atom selections for the radius of gyration restraint

Residual dipolar couplings

Number of RDC

Residual dipolar couplings 1

RDC type

SANI energy constants

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

VEAN energy constants

ini_bor energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

ini_cen energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

RDC file

Residual dipolar couplings 2

RDC type

SANI energy constants

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

VEAN energy constants

ini_bor energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

ini_cen energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

RDC file

Residual dipolar couplings 3

RDC type

SANI energy constants

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

VEAN energy constants

ini_bor energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

ini_cen energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

RDC file

Residual dipolar couplings 4

RDC type

SANI energy constants

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

VEAN energy constants

ini_bor energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

ini_cen energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

RDC file

Residual dipolar couplings 5

RDC type

SANI energy constants

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

VEAN energy constants

ini_bor energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

ini_cen energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

RDC file

Residual dipolar couplings 6

RDC type

SANI energy constants

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

VEAN energy constants

ini_bor energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

ini_cen energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

RDC file

Residual dipolar couplings 7

RDC type

SANI energy constants

First iteration

Last iteration

Energy constants per stage

hot

cool1

cool2

cool3

VEAN energy constants

ini_bor energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

ini_cen energy constants per stage

hot

cool1

cool2

cool3

fin_bor energy constants per stage

hot

cool1

cool2

cool3

RDC file

HADDOCK 2.4

@Bonvinlab

HADDOCK submission

Random patches

Center of mass restraints

Surface contact restraints

Random exclusion

Radius of gyration restraint

Solvated docking mode

Cutoff for defining neighbouring flexible regions

Energy constants per stage

Energy constants per stage

Energy constants per stage

Energy constants for dihedral angle restraints

Energy constants for radius-of-gyration restraints

SANI energy constants

VEAN energy constants

SANI energy constants

VEAN energy constants

SANI energy constants

VEAN energy constants

SANI energy constants

VEAN energy constants

SANI energy constants

VEAN energy constants

SANI energy constants

VEAN energy constants

SANI energy constants

VEAN energy constants