PLUMED-NEST

Project ID: plumID:20.034
Source: plumed_SL5A.dat
Originally used with PLUMED version: 2.5.3
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

RESTARTActivate restart. More details
The RESTART action with label  calculates somethingMOLINFOThis 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=SL5a_ext_gmx.pdb MOLTYPE what kind of molecule is contained in the pdb file - usually not needed since protein/RNA/DNA are compatible=rna


ermsd0_p1: ERMSDCalculate eRMSD with respect to a reference structure. More details REFERENCEa file in pdb format containing the reference structure and the atoms involved in the CV=SL5a_H1_template.pdb ATOMSthe list of atoms (use lcs)=@lcs-1an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 1. Click here for more information. ,@lcs-2an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 2. Click here for more information. ,@lcs-3an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 3. Click here for more information. ,@lcs-4an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 4. Click here for more information. ,@lcs-5an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 5. Click here for more information. ,@lcs-6an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 6. Click here for more information. ,@lcs-7an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 7. Click here for more information. ,@lcs-27an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 27. Click here for more information. ,@lcs-28an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 28. Click here for more information. ,@lcs-29an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 29. Click here for more information. ,@lcs-30an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 30. Click here for more information. ,@lcs-31an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 31. Click here for more information. ,@lcs-32an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 32. Click here for more information. ,@lcs-33an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 33. Click here for more information. 
The ERMSD action with label ermsd0_p1 calculates the following quantities:
 Quantity   
 Description  
ermsd0_p1.value
the eRMSD between the instantaneous structure and the reference structure that was inputermsd1_p1: ERMSDCalculate eRMSD with respect to a reference structure. More details REFERENCEa file in pdb format containing the reference structure and the atoms involved in the CV=SL5a_H1_template.pdb ATOMSthe list of atoms (use lcs)=@lcs-1an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 1. Click here for more information. ,@lcs-2an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 2. Click here for more information. ,@lcs-3an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 3. Click here for more information. ,@lcs-4an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 4. Click here for more information. ,@lcs-5an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 5. Click here for more information. ,@lcs-6an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 6. Click here for more information. ,@lcs-7an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 7. Click here for more information. ,@lcs-27an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 27. Click here for more information. ,@lcs-28an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 28. Click here for more information. ,@lcs-29an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 29. Click here for more information. ,@lcs-30an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 30. Click here for more information. ,@lcs-31an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 31. Click here for more information. ,@lcs-32an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 32. Click here for more information. ,@lcs-33an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 33. Click here for more information.  CUTOFF only pairs of atoms closer than CUTOFF are considered in the calculation=12

The ERMSD action with label ermsd1_p1 calculates the following quantities:
 Quantity   
 Description  
ermsd1_p1.value
the eRMSD between the instantaneous structure and the reference structure that was inputermsd0_p2: ERMSDCalculate eRMSD with respect to a reference structure. More details REFERENCEa file in pdb format containing the reference structure and the atoms involved in the CV=SL5a_H2_template.pdb ATOMSthe list of atoms (use lcs)=@lcs-9an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 9. Click here for more information. ,@lcs-10an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 10. Click here for more information. ,@lcs-11an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 11. Click here for more information. ,@lcs-12an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 12. Click here for more information. ,@lcs-13an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 13. Click here for more information. ,@lcs-20an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 20. Click here for more information. ,@lcs-21an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 21. Click here for more information. ,@lcs-22an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 22. Click here for more information. ,@lcs-23an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 23. Click here for more information. ,@lcs-24an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 24. Click here for more information. 
The ERMSD action with label ermsd0_p2 calculates the following quantities:
 Quantity   
 Description  
ermsd0_p2.value
the eRMSD between the instantaneous structure and the reference structure that was inputermsd1_p2: ERMSDCalculate eRMSD with respect to a reference structure. More details REFERENCEa file in pdb format containing the reference structure and the atoms involved in the CV=SL5a_H2_template.pdb ATOMSthe list of atoms (use lcs)=@lcs-9an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 9. Click here for more information. ,@lcs-10an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 10. Click here for more information. ,@lcs-11an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 11. Click here for more information. ,@lcs-12an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 12. Click here for more information. ,@lcs-13an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 13. Click here for more information. ,@lcs-20an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 20. Click here for more information. ,@lcs-21an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 21. Click here for more information. ,@lcs-22an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 22. Click here for more information. ,@lcs-23an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 23. Click here for more information. ,@lcs-24an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 24. Click here for more information.  CUTOFF only pairs of atoms closer than CUTOFF are considered in the calculation=12


# HELIX1 
The ERMSD action with label ermsd1_p2 calculates the following quantities:
 Quantity   
 Description  
ermsd1_p2.value
the eRMSD between the instantaneous structure and the reference structure that was inputc1: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-1an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 1. Click here for more information. 
The CENTER action with label c1 calculates the following quantities:
 Quantity   
 Description  
c1.value
the position of the center of massc2: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-2an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 2. Click here for more information. 
The CENTER action with label c2 calculates the following quantities:
 Quantity   
 Description  
c2.value
the position of the center of massc3: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-3an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 3. Click here for more information. 
The CENTER action with label c3 calculates the following quantities:
 Quantity   
 Description  
c3.value
the position of the center of massc4: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-4an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 4. Click here for more information. 
The CENTER action with label c4 calculates the following quantities:
 Quantity   
 Description  
c4.value
the position of the center of massc5: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-5an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 5. Click here for more information. 
The CENTER action with label c5 calculates the following quantities:
 Quantity   
 Description  
c5.value
the position of the center of massc6: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-6an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 6. Click here for more information. 
The CENTER action with label c6 calculates the following quantities:
 Quantity   
 Description  
c6.value
the position of the center of massc7: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-7an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 7. Click here for more information. 

The CENTER action with label c7 calculates the following quantities:
 Quantity   
 Description  
c7.value
the position of the center of massc27: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-27an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 27. Click here for more information. 
The CENTER action with label c27 calculates the following quantities:
 Quantity   
 Description  
c27.value
the position of the center of massc28: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-28an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 28. Click here for more information. 
The CENTER action with label c28 calculates the following quantities:
 Quantity   
 Description  
c28.value
the position of the center of massc29: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-29an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 29. Click here for more information. 
The CENTER action with label c29 calculates the following quantities:
 Quantity   
 Description  
c29.value
the position of the center of massc30: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-30an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 30. Click here for more information. 
The CENTER action with label c30 calculates the following quantities:
 Quantity   
 Description  
c30.value
the position of the center of massc31: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-31an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 31. Click here for more information. 
The CENTER action with label c31 calculates the following quantities:
 Quantity   
 Description  
c31.value
the position of the center of massc32: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-32an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 32. Click here for more information. 
The CENTER action with label c32 calculates the following quantities:
 Quantity   
 Description  
c32.value
the position of the center of massc33: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-33an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 33. Click here for more information. 

# HELIX2
The CENTER action with label c33 calculates the following quantities:
 Quantity   
 Description  
c33.value
the position of the center of massc9: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-9an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 9. Click here for more information. 
The CENTER action with label c9 calculates the following quantities:
 Quantity   
 Description  
c9.value
the position of the center of massc10: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-10an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 10. Click here for more information. 
The CENTER action with label c10 calculates the following quantities:
 Quantity   
 Description  
c10.value
the position of the center of massc11: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-11an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 11. Click here for more information. 
The CENTER action with label c11 calculates the following quantities:
 Quantity   
 Description  
c11.value
the position of the center of massc12: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-12an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 12. Click here for more information. 
The CENTER action with label c12 calculates the following quantities:
 Quantity   
 Description  
c12.value
the position of the center of massc13: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-13an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 13. Click here for more information. 

The CENTER action with label c13 calculates the following quantities:
 Quantity   
 Description  
c13.value
the position of the center of massc20: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-20an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 20. Click here for more information. 
The CENTER action with label c20 calculates the following quantities:
 Quantity   
 Description  
c20.value
the position of the center of massc21: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-21an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 21. Click here for more information. 
The CENTER action with label c21 calculates the following quantities:
 Quantity   
 Description  
c21.value
the position of the center of massc22: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-22an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 22. Click here for more information. 
The CENTER action with label c22 calculates the following quantities:
 Quantity   
 Description  
c22.value
the position of the center of massc23: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-23an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 23. Click here for more information. 
The CENTER action with label c23 calculates the following quantities:
 Quantity   
 Description  
c23.value
the position of the center of massc24: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-24an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 24. Click here for more information. 


The CENTER action with label c24 calculates the following quantities:
 Quantity   
 Description  
c24.value
the position of the center of massdp1_1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c1,c33
The DISTANCE action with label dp1_1 calculates the following quantities:
 Quantity   
 Description  
dp1_1.value
the DISTANCE between this pair of atomsdp1_2: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c2,c32
The DISTANCE action with label dp1_2 calculates the following quantities:
 Quantity   
 Description  
dp1_2.value
the DISTANCE between this pair of atomsdp1_3: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c3,c31
The DISTANCE action with label dp1_3 calculates the following quantities:
 Quantity   
 Description  
dp1_3.value
the DISTANCE between this pair of atomsdp1_4: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c4,c30
The DISTANCE action with label dp1_4 calculates the following quantities:
 Quantity   
 Description  
dp1_4.value
the DISTANCE between this pair of atomsdp1_5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c5,c29
The DISTANCE action with label dp1_5 calculates the following quantities:
 Quantity   
 Description  
dp1_5.value
the DISTANCE between this pair of atomsdp1_6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c6,c28
The DISTANCE action with label dp1_6 calculates the following quantities:
 Quantity   
 Description  
dp1_6.value
the DISTANCE between this pair of atomsdp1_7: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c7,c27

The DISTANCE action with label dp1_7 calculates the following quantities:
 Quantity   
 Description  
dp1_7.value
the DISTANCE between this pair of atomsdp2_1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c9,c24
The DISTANCE action with label dp2_1 calculates the following quantities:
 Quantity   
 Description  
dp2_1.value
the DISTANCE between this pair of atomsdp2_2: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c10,c23
The DISTANCE action with label dp2_2 calculates the following quantities:
 Quantity   
 Description  
dp2_2.value
the DISTANCE between this pair of atomsdp2_3: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c11,c22
The DISTANCE action with label dp2_3 calculates the following quantities:
 Quantity   
 Description  
dp2_3.value
the DISTANCE between this pair of atomsdp2_4: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c12,c21
The DISTANCE action with label dp2_4 calculates the following quantities:
 Quantity   
 Description  
dp2_4.value
the DISTANCE between this pair of atomsdp2_5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c13,c20


# other 
The DISTANCE action with label dp2_5 calculates the following quantities:
 Quantity   
 Description  
dp2_5.value
the DISTANCE between this pair of atomsc8: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-8an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 8. Click here for more information. 
The CENTER action with label c8 calculates the following quantities:
 Quantity   
 Description  
c8.value
the position of the center of massc14: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-14an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 14. Click here for more information. 
The CENTER action with label c14 calculates the following quantities:
 Quantity   
 Description  
c14.value
the position of the center of massc15: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-15an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 15. Click here for more information. 
The CENTER action with label c15 calculates the following quantities:
 Quantity   
 Description  
c15.value
the position of the center of massc18: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-18an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 18. Click here for more information. 
The CENTER action with label c18 calculates the following quantities:
 Quantity   
 Description  
c18.value
the position of the center of massc19: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-19an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 19. Click here for more information. 
The CENTER action with label c19 calculates the following quantities:
 Quantity   
 Description  
c19.value
the position of the center of massc25: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-25an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 25. Click here for more information. 
The CENTER action with label c25 calculates the following quantities:
 Quantity   
 Description  
c25.value
the position of the center of massc26: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that appear in the definition of this center=@lcs-26an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 26. Click here for more information. 

The CENTER action with label c26 calculates the following quantities:
 Quantity   
 Description  
c26.value
the position of the center of massD8_25: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c8,c25
The DISTANCE action with label D8_25 calculates the following quantities:
 Quantity   
 Description  
D8_25.value
the DISTANCE between this pair of atomsD8_26: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c8,c26
The DISTANCE action with label D8_26 calculates the following quantities:
 Quantity   
 Description  
D8_26.value
the DISTANCE between this pair of atomsD14_19: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c14,c19
The DISTANCE action with label D14_19 calculates the following quantities:
 Quantity   
 Description  
D14_19.value
the DISTANCE between this pair of atomsD15_18: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=c15,c18

The DISTANCE action with label D15_18 calculates the following quantities:
 Quantity   
 Description  
D15_18.value
the DISTANCE between this pair of atomschi: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=@chi-18the four atoms that are required to alcullate the chi dihedral for residue 18. Click here for more information. 

The TORSION action with label chi calculates the following quantities:
 Quantity   
 Description  
chi.value
the TORSION involving these atomsABMDAdds a ratchet-and-pawl like restraint on one or more variables. More details ... 
ARGthe labels of the scalars on which the bias will act=ermsd1_p1,ermsd1_p2
KAPPAThe array of force constants=1,1
TOThe array of target values=1,1 
LABELa label for the action so that its output can be referenced in the input to other actions=qq 
... ABMD

The ABMD action with label qq calculates the following quantities:
 Quantity   
 Description  
qq.bias
the instantaneous value of the bias potential
qq.force2
the instantaneous value of the squared force due to this bias potential
qq._min
one or multiple instances of this quantity can be referenced elsewhere in the input filePRINTPrint quantities to a file. More details FILEthe name of the file on which to output these quantities=ERMSD_YYY ARGthe labels of the values that you would like to print to the file=ermsd0_p1,ermsd0_p2,ermsd1_p1,ermsd1_p2,qq.bias STRIDE the frequency with which the quantities of interest should be output=5000
PRINTPrint quantities to a file. More details FILEthe name of the file on which to output these quantities=DIST_YYY ARGthe labels of the values that you would like to print to the file=dp1_1,dp1_2,dp1_3,dp1_4,dp1_5,dp1_6,dp1_7,dp2_1,dp2_2,dp2_3,dp2_4,dp2_5,D8_25,D8_26,D14_19,D15_18,chi STRIDE the frequency with which the quantities of interest should be output=5000