PLUMED-NEST

Project ID: plumID:23.008
Source: plumed.dat
Originally used with PLUMED version: 2.5.0
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

MOLINFO
This command is used to provide information on the molecules that are present in your system. More details
 
STRUCTURE
a file in pdb format containing a reference structure
=hst5.pdb

The MOLINFO action with label  calculates something
WHOLEMOLECULES
This action is used to rebuild molecules that can become split by the periodic boundary conditions. More details
 
ENTITY0
the atoms that make up a molecule that you wish to align
=1-417

phi2The TORSION action with label phi2 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi2
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-2
the 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
phi3The TORSION action with label phi3 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi3
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-3
the 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
phi4The TORSION action with label phi4 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi4
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-4
the 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
phi5The TORSION action with label phi5 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi5
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-5
the 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
phi6The TORSION action with label phi6 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi6
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-6
the 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
phi7The TORSION action with label phi7 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi7
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-7
the 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
phi8The TORSION action with label phi8 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi8
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-8
the 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
phi9The TORSION action with label phi9 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi9
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-9
the 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
phi10The TORSION action with label phi10 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi10
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-10
the 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
phi11The TORSION action with label phi11 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi11
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-11
the 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
phi12The TORSION action with label phi12 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi12
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-12
the 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
phi13The TORSION action with label phi13 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi13
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-13
the 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
phi14The TORSION action with label phi14 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi14
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-14
the 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
phi15The TORSION action with label phi15 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi15
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-15
the 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
phi16The TORSION action with label phi16 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi16
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-16
the 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
phi17The TORSION action with label phi17 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi17
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-17
the 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
phi18The TORSION action with label phi18 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi18
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-18
the 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
phi19The TORSION action with label phi19 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi19
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-19
the 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
phi20The TORSION action with label phi20 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi20
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-20
the 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
phi21The TORSION action with label phi21 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi21
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-21
the 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
phi22The TORSION action with label phi22 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi22
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-22
the 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
phi23The TORSION action with label phi23 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi23
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-23
the 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
phi24The TORSION action with label phi24 calculates the following quantities:
 Quantity   
 Type   
 Description  
phi24
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@phi-24
the 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

psi1The TORSION action with label psi1 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi1
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-1
the 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: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-2
the 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
psi3The TORSION action with label psi3 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi3
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-3
the 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
psi4The TORSION action with label psi4 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi4
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-4
the 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
psi5The TORSION action with label psi5 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi5
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-5
the 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
psi6The TORSION action with label psi6 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi6
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-6
the 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
psi7The TORSION action with label psi7 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi7
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-7
the 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
psi8The TORSION action with label psi8 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi8
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-8
the 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
psi9The TORSION action with label psi9 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi9
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-9
the 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
psi10The TORSION action with label psi10 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi10
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-10
the 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
psi11The TORSION action with label psi11 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi11
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-11
the 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
psi12The TORSION action with label psi12 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi12
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-12
the 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
psi13The TORSION action with label psi13 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi13
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-13
the 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
psi14The TORSION action with label psi14 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi14
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-14
the 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
psi15The TORSION action with label psi15 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi15
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-15
the 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
psi16The TORSION action with label psi16 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi16
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-16
the 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
psi17The TORSION action with label psi17 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi17
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-17
the 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
psi18The TORSION action with label psi18 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi18
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-18
the 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
psi19The TORSION action with label psi19 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi19
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-19
the 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
psi20The TORSION action with label psi20 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi20
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-20
the 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
psi21The TORSION action with label psi21 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi21
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-21
the 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
psi22The TORSION action with label psi22 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi22
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-22
the 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
psi23The TORSION action with label psi23 calculates the following quantities:
 Quantity   
 Type   
 Description  
psi23
scalar
the TORSION involving these atoms: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=
@psi-23
the 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

caThe GROUP action with label ca calculates the following quantities:
 Quantity   
 Type   
 Description  
ca
atoms
indices of atoms specified in GROUP: 
GROUP
Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details
 
NDX_FILE
the name of index file (gromacs syntax)
=hst5.ndx 
NDX_GROUP
the name of the group to be imported (gromacs syntax) - first group found is used by default
=C-alpha
rgThe GYRATION action with label rg calculates the following quantities:
 Quantity   
 Type   
 Description  
rg
scalar
the radius of gyration: 
GYRATION
Calculate the radius of gyration, or other properties related to it. More details
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=ca 
NOPBC
 ignore the periodic boundary conditions when calculating distances

PBMETAD
Used to performed Parallel Bias metadynamics. More details
 ...
 
LABEL
a label for the action so that its output can be referenced in the input to other actions
=pbmetadThe PBMETAD action with label pbmetad calculates the following quantities:
 Quantity   
 Type   
 Description  
pbmetad.bias
scalar
the instantaneous value of the bias potential
 
WALKERS_MPI
 Switch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIR
 
ARG
the labels of the scalars on which the bias will act
=phi2,phi3,phi4,phi5,phi6,phi7,phi8,phi9,phi10,phi11,phi12,phi13,phi14,phi15,phi16,phi17,phi18,phi19,phi20,phi21,phi22,phi23,phi24,psi1,psi2,psi3,psi4,psi5,psi6,psi7,psi8,psi9,psi10,psi11,psi12,psi13,psi14,psi15,psi16,psi17,psi18,psi19,psi20,psi21,psi22,psi23,rg
 
PACE
the frequency for hill addition, one for all biases
=200
 
BIASFACTOR
use well tempered metadynamics with this bias factor, one for all biases
=24
 
HEIGHT
the height of the Gaussian hills, one for all biases
=0.3
 
ADAPTIVE
use a geometric (=GEOM) or diffusion (=DIFF) based hills width scheme
=DIFF 
SIGMA
the widths of the Gaussian hills
=1000
 
SIGMA_MIN
the lower bounds for the sigmas (in CV units) when using adaptive hills
=0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.001
 
SIGMA_MAX
the upper bounds for the sigmas (in CV units) when using adaptive hills
=0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.4
 
GRID_MIN
the lower bounds for the grid
=-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,0.4
 
GRID_MAX
the upper bounds for the grid
=pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,2.8
 
INTERVAL_MIN
one dimensional lower limits, outside the limits the system will not feel the biasing force
=-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,-pi,0.60
 
INTERVAL_MAX
one dimensional upper limits, outside the limits the system will not feel the biasing force
=pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,pi,2.50
 
GRID_WSTRIDE
frequency for dumping the grid
=500000
 #GRID_RFILES=GRID.phi2,GRID.phi3,GRID.phi4,GRID.phi5,GRID.phi6,GRID.phi7,GRID.phi8,GRID.phi9,GRID.phi10,GRID.phi11,GRID.phi12,GRID.phi13,GRID.phi14,GRID.phi15,GRID.phi16,GRID.phi17,GRID.phi18,GRID.phi19,GRID.phi20,GRID.phi21,GRID.phi22,GRID.phi23,GRID.phi24,GRID.psi1,GRID.psi2,GRID.psi3,GRID.psi4,GRID.psi5,GRID.psi6,GRID.psi7,GRID.psi8,GRID.psi9,GRID.psi10,GRID.psi11,GRID.psi12,GRID.psi13,GRID.psi14,GRID.psi15,GRID.psi16,GRID.psi17,GRID.psi18,GRID.psi19,GRID.psi20,GRID.psi21,GRID.psi22,GRID.psi23,GRID.rg
... PBMETAD