PLUMED-NEST

Project ID: plumID:22.035
Source: swap.dat
Originally used with PLUMED version: 2.6.1
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes

# RESTART
# Define CVs. Phi, psi and Rg
MOLINFOThis command is used to provide information on the molecules that are present in your system. More details STRUCTUREa file in pdb format containing a reference structure=swap.pdb
The MOLINFO action with label  calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=1-1082

# Rg on CA atoms
rgThe GYRATION action with label rg calculates the following quantities:
 Quantity   
 Type   
 Description  
rg
scalar
the radius of gyration: GYRATIONCalculate the radius of gyration, or other properties related to it. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=5,22,33,57,67,77,104,110,121,140,152,166,185,197,212,227,242,254,274,286,301,321,331,345,357,371,403,409,426,448,463,477,489,508,523,537,544,559,574,588,607,631,643,657,671,695,710,725,737,752,771,778,793,808,823,843,854,870,887,906,923,933,945,964,986,1008,1030,1037,1053,1063,1073 NOPBC ignore the periodic boundary conditions when calculating distances

# Dihedral angles
psi1The TORSION action with label psi1 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi1
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-1the four atoms that are required to calculate the psi dihedral for residue 1. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi2The TORSION action with label psi2 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi2
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-2the four atoms that are required to calculate the psi dihedral for residue 2. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi2The TORSION action with label phi2 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi2
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-2the four atoms that are required to calculate the phi dihedral for residue 2. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi3The TORSION action with label psi3 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi3
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-3the four atoms that are required to calculate the psi dihedral for residue 3. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi3The TORSION action with label phi3 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi3
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-3the four atoms that are required to calculate the phi dihedral for residue 3. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi4The TORSION action with label psi4 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi4
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-4the four atoms that are required to calculate the psi dihedral for residue 4. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi4The TORSION action with label phi4 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi4
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-4the four atoms that are required to calculate the phi dihedral for residue 4. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi5The TORSION action with label psi5 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi5
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-5the four atoms that are required to calculate the psi dihedral for residue 5. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi5The TORSION action with label phi5 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi5
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-5the four atoms that are required to calculate the phi dihedral for residue 5. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi6The TORSION action with label psi6 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi6
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-6the four atoms that are required to calculate the psi dihedral for residue 6. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi6The TORSION action with label phi6 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi6
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-6the four atoms that are required to calculate the phi dihedral for residue 6. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi7The TORSION action with label psi7 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi7
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-7the four atoms that are required to calculate the psi dihedral for residue 7. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi7The TORSION action with label phi7 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi7
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-7the four atoms that are required to calculate the phi dihedral for residue 7. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi8The TORSION action with label psi8 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi8
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-8the four atoms that are required to calculate the psi dihedral for residue 8. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi8The TORSION action with label phi8 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi8
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-8the four atoms that are required to calculate the phi dihedral for residue 8. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi9The TORSION action with label psi9 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi9
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-9the four atoms that are required to calculate the psi dihedral for residue 9. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi9The TORSION action with label phi9 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi9
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-9the four atoms that are required to calculate the phi dihedral for residue 9. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi10The TORSION action with label psi10 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi10
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-10the four atoms that are required to calculate the psi dihedral for residue 10. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi10The TORSION action with label phi10 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi10
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-10the four atoms that are required to calculate the phi dihedral for residue 10. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi11The TORSION action with label psi11 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi11
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-11the four atoms that are required to calculate the psi dihedral for residue 11. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi11The TORSION action with label phi11 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi11
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-11the four atoms that are required to calculate the phi dihedral for residue 11. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi12The TORSION action with label psi12 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi12
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-12the four atoms that are required to calculate the psi dihedral for residue 12. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi12The TORSION action with label phi12 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi12
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-12the four atoms that are required to calculate the phi dihedral for residue 12. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi13The TORSION action with label psi13 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi13
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-13the four atoms that are required to calculate the psi dihedral for residue 13. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi13The TORSION action with label phi13 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi13
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-13the four atoms that are required to calculate the phi dihedral for residue 13. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi14The TORSION action with label psi14 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi14
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-14the four atoms that are required to calculate the psi dihedral for residue 14. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi14The TORSION action with label phi14 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi14
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-14the four atoms that are required to calculate the phi dihedral for residue 14. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi15The TORSION action with label psi15 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi15
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-15the four atoms that are required to calculate the psi dihedral for residue 15. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi15The TORSION action with label phi15 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi15
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-15the four atoms that are required to calculate the phi dihedral for residue 15. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi16The TORSION action with label psi16 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi16
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-16the four atoms that are required to calculate the psi dihedral for residue 16. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi16The TORSION action with label phi16 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi16
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-16the four atoms that are required to calculate the phi dihedral for residue 16. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi17The TORSION action with label psi17 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi17
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-17the four atoms that are required to calculate the psi dihedral for residue 17. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi17The TORSION action with label phi17 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi17
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-17the four atoms that are required to calculate the phi dihedral for residue 17. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi18The TORSION action with label psi18 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi18
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-18the four atoms that are required to calculate the psi dihedral for residue 18. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi18The TORSION action with label phi18 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi18
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-18the four atoms that are required to calculate the phi dihedral for residue 18. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi19The TORSION action with label psi19 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi19
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-19the four atoms that are required to calculate the psi dihedral for residue 19. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi19The TORSION action with label phi19 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi19
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-19the four atoms that are required to calculate the phi dihedral for residue 19. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi20The TORSION action with label psi20 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi20
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-20the four atoms that are required to calculate the psi dihedral for residue 20. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi20The TORSION action with label phi20 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi20
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-20the four atoms that are required to calculate the phi dihedral for residue 20. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi21The TORSION action with label psi21 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi21
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-21the four atoms that are required to calculate the psi dihedral for residue 21. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi21The TORSION action with label phi21 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi21
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-21the four atoms that are required to calculate the phi dihedral for residue 21. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi22The TORSION action with label psi22 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi22
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-22the four atoms that are required to calculate the psi dihedral for residue 22. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi22The TORSION action with label phi22 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi22
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-22the four atoms that are required to calculate the phi dihedral for residue 22. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi23The TORSION action with label psi23 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi23
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-23the four atoms that are required to calculate the psi dihedral for residue 23. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi23The TORSION action with label phi23 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi23
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-23the four atoms that are required to calculate the phi dihedral for residue 23. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi24The TORSION action with label psi24 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi24
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-24the four atoms that are required to calculate the psi dihedral for residue 24. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi24The TORSION action with label phi24 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi24
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-24the four atoms that are required to calculate the phi dihedral for residue 24. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi25The TORSION action with label psi25 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi25
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-25the four atoms that are required to calculate the psi dihedral for residue 25. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi25The TORSION action with label phi25 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi25
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-25the four atoms that are required to calculate the phi dihedral for residue 25. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi26The TORSION action with label psi26 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi26
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-26the four atoms that are required to calculate the psi dihedral for residue 26. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi26The TORSION action with label phi26 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi26
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-26the four atoms that are required to calculate the phi dihedral for residue 26. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi27The TORSION action with label psi27 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi27
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-27the four atoms that are required to calculate the psi dihedral for residue 27. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi27The TORSION action with label phi27 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi27
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-27the four atoms that are required to calculate the phi dihedral for residue 27. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi28The TORSION action with label psi28 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi28
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-28the four atoms that are required to calculate the psi dihedral for residue 28. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi28The TORSION action with label phi28 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi28
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-28the four atoms that are required to calculate the phi dihedral for residue 28. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi29The TORSION action with label psi29 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi29
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-29the four atoms that are required to calculate the psi dihedral for residue 29. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi29The TORSION action with label phi29 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi29
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-29the four atoms that are required to calculate the phi dihedral for residue 29. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi30The TORSION action with label psi30 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi30
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-30the four atoms that are required to calculate the psi dihedral for residue 30. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi30The TORSION action with label phi30 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi30
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-30the four atoms that are required to calculate the phi dihedral for residue 30. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi31The TORSION action with label psi31 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi31
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-31the four atoms that are required to calculate the psi dihedral for residue 31. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi31The TORSION action with label phi31 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi31
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-31the four atoms that are required to calculate the phi dihedral for residue 31. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi32The TORSION action with label psi32 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi32
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-32the four atoms that are required to calculate the psi dihedral for residue 32. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi32The TORSION action with label phi32 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi32
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-32the four atoms that are required to calculate the phi dihedral for residue 32. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi33The TORSION action with label psi33 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi33
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-33the four atoms that are required to calculate the psi dihedral for residue 33. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi33The TORSION action with label phi33 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi33
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-33the four atoms that are required to calculate the phi dihedral for residue 33. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi34The TORSION action with label psi34 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi34
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-34the four atoms that are required to calculate the psi dihedral for residue 34. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi34The TORSION action with label phi34 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi34
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-34the four atoms that are required to calculate the phi dihedral for residue 34. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi35The TORSION action with label psi35 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi35
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-35the four atoms that are required to calculate the psi dihedral for residue 35. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi35The TORSION action with label phi35 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi35
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-35the four atoms that are required to calculate the phi dihedral for residue 35. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi36The TORSION action with label psi36 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi36
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-36the four atoms that are required to calculate the psi dihedral for residue 36. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi36The TORSION action with label phi36 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi36
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-36the four atoms that are required to calculate the phi dihedral for residue 36. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi37The TORSION action with label psi37 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi37
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-37the four atoms that are required to calculate the psi dihedral for residue 37. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi37The TORSION action with label phi37 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi37
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-37the four atoms that are required to calculate the phi dihedral for residue 37. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi38The TORSION action with label psi38 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi38
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-38the four atoms that are required to calculate the psi dihedral for residue 38. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi38The TORSION action with label phi38 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi38
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-38the four atoms that are required to calculate the phi dihedral for residue 38. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi39The TORSION action with label psi39 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi39
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-39the four atoms that are required to calculate the psi dihedral for residue 39. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi39The TORSION action with label phi39 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi39
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-39the four atoms that are required to calculate the phi dihedral for residue 39. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi40The TORSION action with label psi40 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi40
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-40the four atoms that are required to calculate the psi dihedral for residue 40. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi40The TORSION action with label phi40 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi40
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-40the four atoms that are required to calculate the phi dihedral for residue 40. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi41The TORSION action with label psi41 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi41
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-41the four atoms that are required to calculate the psi dihedral for residue 41. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi41The TORSION action with label phi41 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi41
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-41the four atoms that are required to calculate the phi dihedral for residue 41. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi42The TORSION action with label psi42 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi42
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-42the four atoms that are required to calculate the psi dihedral for residue 42. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi42The TORSION action with label phi42 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi42
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-42the four atoms that are required to calculate the phi dihedral for residue 42. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi43The TORSION action with label psi43 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi43
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-43the four atoms that are required to calculate the psi dihedral for residue 43. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi43The TORSION action with label phi43 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi43
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-43the four atoms that are required to calculate the phi dihedral for residue 43. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi44The TORSION action with label psi44 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi44
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-44the four atoms that are required to calculate the psi dihedral for residue 44. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi44The TORSION action with label phi44 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi44
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-44the four atoms that are required to calculate the phi dihedral for residue 44. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi45The TORSION action with label psi45 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi45
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-45the four atoms that are required to calculate the psi dihedral for residue 45. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi45The TORSION action with label phi45 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi45
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-45the four atoms that are required to calculate the phi dihedral for residue 45. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi46The TORSION action with label psi46 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi46
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-46the four atoms that are required to calculate the psi dihedral for residue 46. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi46The TORSION action with label phi46 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi46
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-46the four atoms that are required to calculate the phi dihedral for residue 46. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi47The TORSION action with label psi47 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi47
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-47the four atoms that are required to calculate the psi dihedral for residue 47. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi47The TORSION action with label phi47 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi47
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-47the four atoms that are required to calculate the phi dihedral for residue 47. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi48The TORSION action with label psi48 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi48
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-48the four atoms that are required to calculate the psi dihedral for residue 48. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi48The TORSION action with label phi48 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi48
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-48the four atoms that are required to calculate the phi dihedral for residue 48. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi49The TORSION action with label psi49 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi49
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-49the four atoms that are required to calculate the psi dihedral for residue 49. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi49The TORSION action with label phi49 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi49
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-49the four atoms that are required to calculate the phi dihedral for residue 49. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi50The TORSION action with label psi50 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi50
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-50the four atoms that are required to calculate the psi dihedral for residue 50. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi50The TORSION action with label phi50 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi50
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-50the four atoms that are required to calculate the phi dihedral for residue 50. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi51The TORSION action with label psi51 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi51
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-51the four atoms that are required to calculate the psi dihedral for residue 51. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi51The TORSION action with label phi51 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi51
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-51the four atoms that are required to calculate the phi dihedral for residue 51. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi52The TORSION action with label psi52 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi52
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-52the four atoms that are required to calculate the psi dihedral for residue 52. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi52The TORSION action with label phi52 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi52
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-52the four atoms that are required to calculate the phi dihedral for residue 52. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi53The TORSION action with label psi53 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi53
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-53the four atoms that are required to calculate the psi dihedral for residue 53. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi53The TORSION action with label phi53 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi53
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-53the four atoms that are required to calculate the phi dihedral for residue 53. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi54The TORSION action with label psi54 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi54
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-54the four atoms that are required to calculate the psi dihedral for residue 54. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi54The TORSION action with label phi54 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi54
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-54the four atoms that are required to calculate the phi dihedral for residue 54. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi55The TORSION action with label psi55 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi55
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-55the four atoms that are required to calculate the psi dihedral for residue 55. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi55The TORSION action with label phi55 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi55
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-55the four atoms that are required to calculate the phi dihedral for residue 55. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi56The TORSION action with label psi56 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi56
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-56the four atoms that are required to calculate the psi dihedral for residue 56. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi56The TORSION action with label phi56 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi56
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-56the four atoms that are required to calculate the phi dihedral for residue 56. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi57The TORSION action with label psi57 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi57
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-57the four atoms that are required to calculate the psi dihedral for residue 57. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi57The TORSION action with label phi57 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi57
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-57the four atoms that are required to calculate the phi dihedral for residue 57. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi58The TORSION action with label psi58 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi58
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-58the four atoms that are required to calculate the psi dihedral for residue 58. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi58The TORSION action with label phi58 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi58
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-58the four atoms that are required to calculate the phi dihedral for residue 58. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi59The TORSION action with label psi59 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi59
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-59the four atoms that are required to calculate the psi dihedral for residue 59. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi59The TORSION action with label phi59 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi59
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-59the four atoms that are required to calculate the phi dihedral for residue 59. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi60The TORSION action with label psi60 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi60
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-60the four atoms that are required to calculate the psi dihedral for residue 60. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi60The TORSION action with label phi60 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi60
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-60the four atoms that are required to calculate the phi dihedral for residue 60. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi61The TORSION action with label psi61 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi61
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-61the four atoms that are required to calculate the psi dihedral for residue 61. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi61The TORSION action with label phi61 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi61
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-61the four atoms that are required to calculate the phi dihedral for residue 61. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi62The TORSION action with label psi62 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi62
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-62the four atoms that are required to calculate the psi dihedral for residue 62. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi62The TORSION action with label phi62 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi62
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-62the four atoms that are required to calculate the phi dihedral for residue 62. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi63The TORSION action with label psi63 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi63
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-63the four atoms that are required to calculate the psi dihedral for residue 63. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi63The TORSION action with label phi63 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi63
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-63the four atoms that are required to calculate the phi dihedral for residue 63. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi64The TORSION action with label psi64 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi64
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-64the four atoms that are required to calculate the psi dihedral for residue 64. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi64The TORSION action with label phi64 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi64
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-64the four atoms that are required to calculate the phi dihedral for residue 64. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi65The TORSION action with label psi65 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi65
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-65the four atoms that are required to calculate the psi dihedral for residue 65. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi65The TORSION action with label phi65 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi65
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-65the four atoms that are required to calculate the phi dihedral for residue 65. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi66The TORSION action with label psi66 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi66
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-66the four atoms that are required to calculate the psi dihedral for residue 66. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi66The TORSION action with label phi66 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi66
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-66the four atoms that are required to calculate the phi dihedral for residue 66. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi67The TORSION action with label psi67 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi67
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-67the four atoms that are required to calculate the psi dihedral for residue 67. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi67The TORSION action with label phi67 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi67
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-67the four atoms that are required to calculate the phi dihedral for residue 67. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi68The TORSION action with label psi68 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi68
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-68the four atoms that are required to calculate the psi dihedral for residue 68. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi68The TORSION action with label phi68 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi68
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-68the four atoms that are required to calculate the phi dihedral for residue 68. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi69The TORSION action with label psi69 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi69
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-69the four atoms that are required to calculate the psi dihedral for residue 69. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi69The TORSION action with label phi69 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi69
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-69the four atoms that are required to calculate the phi dihedral for residue 69. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
psi70The TORSION action with label psi70 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi70
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@psi-70the four atoms that are required to calculate the psi dihedral for residue 70. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi70The TORSION action with label phi70 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi70
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-70the four atoms that are required to calculate the phi dihedral for residue 70. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances
phi71The TORSION action with label phi71 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi71
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@phi-71the four atoms that are required to calculate the phi dihedral for residue 71. Click here for more information.  NOPBC ignore the periodic boundary conditions when calculating distances

PBMETADUsed to performed Parallel Bias metadynamics. More details ...
ARGthe labels of the scalars on which the bias will act=rg,psi1,psi2,phi2,psi3,phi3,psi4,phi4,psi5,phi5,psi6,phi6,psi7,phi7,psi8,phi8,psi9,phi9,psi10,phi10,psi11,phi11,psi12,phi12,psi13,phi13,psi14,phi14,psi15,phi15,psi16,phi16,psi17,phi17,psi18,phi18,psi19,phi19,psi20,phi20,psi21,phi21,psi22,phi22,psi23,phi23,psi24,phi24,psi25,phi25,psi26,phi26,psi27,phi27,psi28,phi28,psi29,phi29,psi30,phi30,psi31,phi31,psi32,phi32,psi33,phi33,psi34,phi34,psi35,phi35,psi36,phi36,psi37,phi37,psi38,phi38,psi39,phi39,psi40,phi40,psi41,phi41,psi42,phi42,psi43,phi43,psi44,phi44,psi45,phi45,psi46,phi46,psi47,phi47,psi48,phi48,psi49,phi49,psi50,phi50,psi51,phi51,psi52,phi52,psi53,phi53,psi54,phi54,psi55,phi55,psi56,phi56,psi57,phi57,psi58,phi58,psi59,phi59,psi60,phi60,psi61,phi61,psi62,phi62,psi63,phi63,psi64,phi64,psi65,phi65,psi66,phi66,psi67,phi67,psi68,phi68,psi69,phi69,psi70,phi70,phi71
ADAPTIVEuse a geometric (=GEOM) or diffusion (=DIFF) based hills width scheme=DIFF SIGMAthe widths of the Gaussian hills=1000 PACEthe frequency for hill addition, one for all biases=200 HEIGHTthe height of the Gaussian hills, one for all biases=0.3 BIASFACTORuse well tempered metadynamics with this bias factor, one for all biases=32 LABELa label for the action so that its output can be referenced in the input to other actions=pbThe PBMETAD action with label pb calculates the following quantities:
 Quantity   
 Type   
 Description  
pb.bias
scalar
the instantaneous value of the bias potential
SIGMA_MINthe lower bounds for the sigmas (in CV units) when using adaptive hills=0.001,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05
SIGMA_MAXthe upper bounds for the sigmas (in CV units) when using adaptive hills=0.04,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6
INTERVAL_MINone dimensional lower limits, outside the limits the system will not feel the biasing force=1.3,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi
INTERVAL_MAXone dimensional upper limits, outside the limits the system will not feel the biasing force=4.0,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi
GRID_MINthe lower bounds for the grid=1.0,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi
GRID_MAXthe upper bounds for the grid=5.5,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi
GRID_WSTRIDEfrequency for dumping the grid=5000000
WALKERS_MPI Switch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIR


... PBMETAD