PLUMED-NEST

Project ID: plumID:24.032
Source: analysis/PremiR21/OPES/plumed_DeepLNE.dat
Originally used with PLUMED version: 2.9
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
LOADLoads a library, possibly defining new actions. More details FILEfile to be loaded=MultiANN_tanh.cpp


The LOAD action with label  calculates somethingd1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,751 #A-G
The DISTANCE action with label d1 calculates the following quantities:
 Quantity   
 Description  
d1.value
the DISTANCE between this pair of atomsd2: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,784 #A-C
The DISTANCE action with label d2 calculates the following quantities:
 Quantity   
 Description  
d2.value
the DISTANCE between this pair of atomsd3: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,787 #A-C
The DISTANCE action with label d3 calculates the following quantities:
 Quantity   
 Description  
d3.value
the DISTANCE between this pair of atomsd4: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,794 #A-RIB
The DISTANCE action with label d4 calculates the following quantities:
 Quantity   
 Description  
d4.value
the DISTANCE between this pair of atomsd5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,800 #A-O
The DISTANCE action with label d5 calculates the following quantities:
 Quantity   
 Description  
d5.value
the DISTANCE between this pair of atomsd6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,751 #A-G
The DISTANCE action with label d6 calculates the following quantities:
 Quantity   
 Description  
d6.value
the DISTANCE between this pair of atomsd7: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,784 #A-C
The DISTANCE action with label d7 calculates the following quantities:
 Quantity   
 Description  
d7.value
the DISTANCE between this pair of atomsd8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,787 #A-C
The DISTANCE action with label d8 calculates the following quantities:
 Quantity   
 Description  
d8.value
the DISTANCE between this pair of atomsd9: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,794 #A-RIB
The DISTANCE action with label d9 calculates the following quantities:
 Quantity   
 Description  
d9.value
the DISTANCE between this pair of atomsd10: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,800 #A-O

The DISTANCE action with label d10 calculates the following quantities:
 Quantity   
 Description  
d10.value
the DISTANCE between this pair of atomsd1n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d1 FUNCthe function you wish to evaluate=x/2.11 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d1n calculates the following quantities:
 Quantity   
 Description  
d1n.value
an arbitrary functiond2n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d2 FUNCthe function you wish to evaluate=x/2.25 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d2n calculates the following quantities:
 Quantity   
 Description  
d2n.value
an arbitrary functiond3n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d3 FUNCthe function you wish to evaluate=x/2.17 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d3n calculates the following quantities:
 Quantity   
 Description  
d3n.value
an arbitrary functiond4n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d4 FUNCthe function you wish to evaluate=x/2.53 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d4n calculates the following quantities:
 Quantity   
 Description  
d4n.value
an arbitrary functiond5n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d5 FUNCthe function you wish to evaluate=x/2.78 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d5n calculates the following quantities:
 Quantity   
 Description  
d5n.value
an arbitrary functiond6n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d6 FUNCthe function you wish to evaluate=x/2.07 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d6n calculates the following quantities:
 Quantity   
 Description  
d6n.value
an arbitrary functiond7n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d7 FUNCthe function you wish to evaluate=x/2.22 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d7n calculates the following quantities:
 Quantity   
 Description  
d7n.value
an arbitrary functiond8n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d8 FUNCthe function you wish to evaluate=x/2.13 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d8n calculates the following quantities:
 Quantity   
 Description  
d8n.value
an arbitrary functiond9n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d1 FUNCthe function you wish to evaluate=x/2.49 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
The CUSTOM action with label d9n calculates the following quantities:
 Quantity   
 Description  
d9n.value
an arbitrary functiond10n: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=d10 FUNCthe function you wish to evaluate=x/2.71 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO


#hlda: COMBINE ARG=d1,d2,d3,d4,d5,d6,d7,d8,d9,d10 COEFFICIENTS=-14.815268,-15.319241,-13.384423,-7.26893,-7.971926,-16.557427,-14.808337,-14.668623,-9.334746,-9.811748 PERIODIC=NO
The CUSTOM action with label d10n calculates the following quantities:
 Quantity   
 Description  
d10n.value
an arbitrary functionhldaN: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=d1n,d2n,d3n,d4n,d5n,d6n,d7n,d8n,d9n,d10n COEFFICIENTS the coefficients of the arguments in your function=-11.63344,-11.311855,-12.316635,-10.216072,-10.565613,-10.745473,-9.307333,-11.834765,-11.317639,-12.201419 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO

The COMBINE action with label hldaN calculates the following quantities:
 Quantity   
 Description  
hldaN.value
a linear compbinationWO: GROUPDefine 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 ATOMSthe numerical indexes for the set of atoms in the group=1020-45543:4 # water molecules
The GROUP action with label WO calculates somethingAWO: COORDINATIONCalculate coordination numbers. More details GROUPAFirst list of atoms=243 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=WO SWITCHThis keyword is used if you want to employ an alternative to the continuous switching function defined above. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL D_0=0.0 R_0=0.35 NN=6 MM=10} NLIST Use a neighbor list to speed up the calculation NL_CUTOFFThe cutoff for the neighbor list=2.0 NL_STRIDEThe frequency with which we are updating the atoms in the neighbor list=20

The COORDINATION action with label AWO calculates the following quantities:
 Quantity   
 Description  
AWO.value
the value of the coordinationt1: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=225,228,229,232 #A, P-O-C-C
The TORSION action with label t1 calculates the following quantities:
 Quantity   
 Description  
t1.value
the TORSION involving these atomst2: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=228,229,232,251 #A, O-C-C-C
The TORSION action with label t2 calculates the following quantities:
 Quantity   
 Description  
t2.value
the TORSION involving these atomst3: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=229,232,251,257 #A C-C-C_O
The TORSION action with label t3 calculates the following quantities:
 Quantity   
 Description  
t3.value
the TORSION involving these atomst4: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=232,251,257,258 #A C-C-O-P
The TORSION action with label t4 calculates the following quantities:
 Quantity   
 Description  
t4.value
the TORSION involving these atomst5: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=251,257,258,261 #A C-O-P-O
The TORSION action with label t5 calculates the following quantities:
 Quantity   
 Description  
t5.value
the TORSION involving these atomst6: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=257,258,261,262 #A-C  O-P-O-C
The TORSION action with label t6 calculates the following quantities:
 Quantity   
 Description  
t6.value
the TORSION involving these atomst7: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=258,261,262,265 #C P-O-C-C
The TORSION action with label t7 calculates the following quantities:
 Quantity   
 Description  
t7.value
the TORSION involving these atomst8: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=261,262,265,282 #C O-C-C-C
The TORSION action with label t8 calculates the following quantities:
 Quantity   
 Description  
t8.value
the TORSION involving these atomst9: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=262,265,282,288 #C C-C-C-O
The TORSION action with label t9 calculates the following quantities:
 Quantity   
 Description  
t9.value
the TORSION involving these atomst10: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=265,282,288,289 #C C-C-O-P

The TORSION action with label t10 calculates the following quantities:
 Quantity   
 Description  
t10.value
the TORSION involving these atomst-1: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=218,224,225,228 #G-A C-O-P-O
The TORSION action with label t-1 calculates the following quantities:
 Quantity   
 Description  
t-1.value
the TORSION involving these atomst-2: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=198,218,224,225 #G-A C-C-O-P
    
The TORSION action with label t-2 calculates the following quantities:
 Quantity   
 Description  
t-2.value
the TORSION involving these atomsdA8G24C25_1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=242,750 
The DISTANCE action with label dA8G24C25_1 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_1.value
the DISTANCE between this pair of atomsdA8G24C25_2: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=242,751 
The DISTANCE action with label dA8G24C25_2 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_2.value
the DISTANCE between this pair of atomsdA8G24C25_3: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,750 
The DISTANCE action with label dA8G24C25_3 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_3.value
the DISTANCE between this pair of atomsdA8G24C25_4: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,751 
The DISTANCE action with label dA8G24C25_4 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_4.value
the DISTANCE between this pair of atomsdA8G24C25_5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,750 
The DISTANCE action with label dA8G24C25_5 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_5.value
the DISTANCE between this pair of atomsdA8G24C25_6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,751 
The DISTANCE action with label dA8G24C25_6 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_6.value
the DISTANCE between this pair of atomsdA8G24C25_7: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,787 
The DISTANCE action with label dA8G24C25_7 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_7.value
the DISTANCE between this pair of atomsdA8G24C25_8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,787 
The DISTANCE action with label dA8G24C25_8 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_8.value
the DISTANCE between this pair of atomsdA8G24C25_9: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,789 
The DISTANCE action with label dA8G24C25_9 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_9.value
the DISTANCE between this pair of atomsdA8G24C25_10: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=247,789 
The DISTANCE action with label dA8G24C25_10 calculates the following quantities:
 Quantity   
 Description  
dA8G24C25_10.value
the DISTANCE between this pair of atomsA8G24C25_cmap: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=dA8G24C25_1,dA8G24C25_2,dA8G24C25_3,dA8G24C25_4,dA8G24C25_5,dA8G24C25_6,dA8G24C25_7,dA8G24C25_8,dA8G24C25_9,dA8G24C25_10 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO 
The COMBINE action with label A8G24C25_cmap calculates the following quantities:
 Quantity   
 Description  
A8G24C25_cmap.value
a linear compbinationdA8G7C9_1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=242,276 
The DISTANCE action with label dA8G7C9_1 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_1.value
the DISTANCE between this pair of atomsdA8G7C9_2: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=242,279 
The DISTANCE action with label dA8G7C9_2 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_2.value
the DISTANCE between this pair of atomsdA8G7C9_3: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,276 
The DISTANCE action with label dA8G7C9_3 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_3.value
the DISTANCE between this pair of atomsdA8G7C9_4: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,276 
The DISTANCE action with label dA8G7C9_4 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_4.value
the DISTANCE between this pair of atomsdA8G7C9_5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,279 
The DISTANCE action with label dA8G7C9_5 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_5.value
the DISTANCE between this pair of atomsdA8G7C9_6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,281 
The DISTANCE action with label dA8G7C9_6 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_6.value
the DISTANCE between this pair of atomsdA8G7C9_7: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=247,270 
The DISTANCE action with label dA8G7C9_7 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_7.value
the DISTANCE between this pair of atomsdA8G7C9_8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=247,279 
The DISTANCE action with label dA8G7C9_8 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_8.value
the DISTANCE between this pair of atomsdA8G7C9_9: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=247,281 
The DISTANCE action with label dA8G7C9_9 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_9.value
the DISTANCE between this pair of atomsdA8G7C9_10: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=249,270 
The DISTANCE action with label dA8G7C9_10 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_10.value
the DISTANCE between this pair of atomsdA8G7C9_11: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=249,279 
The DISTANCE action with label dA8G7C9_11 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_11.value
the DISTANCE between this pair of atomsdA8G7C9_12: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=249,281 
The DISTANCE action with label dA8G7C9_12 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_12.value
the DISTANCE between this pair of atomsdA8G7C9_13: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=242,210 
The DISTANCE action with label dA8G7C9_13 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_13.value
the DISTANCE between this pair of atomsdA8G7C9_14: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=242,213 
The DISTANCE action with label dA8G7C9_14 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_14.value
the DISTANCE between this pair of atomsdA8G7C9_15: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,209 
The DISTANCE action with label dA8G7C9_15 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_15.value
the DISTANCE between this pair of atomsdA8G7C9_16: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=243,210 
The DISTANCE action with label dA8G7C9_16 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_16.value
the DISTANCE between this pair of atomsdA8G7C9_17: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,210 
The DISTANCE action with label dA8G7C9_17 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_17.value
the DISTANCE between this pair of atomsdA8G7C9_18: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=246,213 
The DISTANCE action with label dA8G7C9_18 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_18.value
the DISTANCE between this pair of atomsdA8G7C9_19: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=247,213 
The DISTANCE action with label dA8G7C9_19 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_19.value
the DISTANCE between this pair of atomsdA8G7C9_20: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=249,213 
The DISTANCE action with label dA8G7C9_20 calculates the following quantities:
 Quantity   
 Description  
dA8G7C9_20.value
the DISTANCE between this pair of atomsA8G7C9_cmap: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=dA8G7C9_1,dA8G7C9_2,dA8G7C9_3,dA8G7C9_4,dA8G7C9_5,dA8G7C9_6,dA8G7C9_7,dA8G7C9_8,dA8G7C9_9,dA8G7C9_10,dA8G7C9_11,dA8G7C9_12,dA8G7C9_13,dA8G7C9_14,dA8G7C9_15,dA8G7C9_16,dA8G7C9_17,dA8G7C9_18,dA8G7C9_19,dA8G7C9_20 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO 
The COMBINE action with label A8G7C9_cmap calculates the following quantities:
 Quantity   
 Description  
A8G7C9_cmap.value
a linear compbinationdG7C9_1: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=207,273 
The DISTANCE action with label dG7C9_1 calculates the following quantities:
 Quantity   
 Description  
dG7C9_1.value
the DISTANCE between this pair of atomsdG7C9_2: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=207,275 
The DISTANCE action with label dG7C9_2 calculates the following quantities:
 Quantity   
 Description  
dG7C9_2.value
the DISTANCE between this pair of atomsdG7C9_3: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=207,280 
The DISTANCE action with label dG7C9_3 calculates the following quantities:
 Quantity   
 Description  
dG7C9_3.value
the DISTANCE between this pair of atomsdG7C9_4: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=208,273 
The DISTANCE action with label dG7C9_4 calculates the following quantities:
 Quantity   
 Description  
dG7C9_4.value
the DISTANCE between this pair of atomsdG7C9_5: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=208,275 
The DISTANCE action with label dG7C9_5 calculates the following quantities:
 Quantity   
 Description  
dG7C9_5.value
the DISTANCE between this pair of atomsdG7C9_6: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=208,280 
The DISTANCE action with label dG7C9_6 calculates the following quantities:
 Quantity   
 Description  
dG7C9_6.value
the DISTANCE between this pair of atomsdG7C9_7: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=212,267 
The DISTANCE action with label dG7C9_7 calculates the following quantities:
 Quantity   
 Description  
dG7C9_7.value
the DISTANCE between this pair of atomsdG7C9_8: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=212,268 
The DISTANCE action with label dG7C9_8 calculates the following quantities:
 Quantity   
 Description  
dG7C9_8.value
the DISTANCE between this pair of atomsdG7C9_9: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=212,271 
The DISTANCE action with label dG7C9_9 calculates the following quantities:
 Quantity   
 Description  
dG7C9_9.value
the DISTANCE between this pair of atomsdG7C9_10: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=212,273 
The DISTANCE action with label dG7C9_10 calculates the following quantities:
 Quantity   
 Description  
dG7C9_10.value
the DISTANCE between this pair of atomsdG7C9_11: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=212,275 
The DISTANCE action with label dG7C9_11 calculates the following quantities:
 Quantity   
 Description  
dG7C9_11.value
the DISTANCE between this pair of atomsdG7C9_12: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=212,280 
The DISTANCE action with label dG7C9_12 calculates the following quantities:
 Quantity   
 Description  
dG7C9_12.value
the DISTANCE between this pair of atomsdG7C9_13: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=217,271 
The DISTANCE action with label dG7C9_13 calculates the following quantities:
 Quantity   
 Description  
dG7C9_13.value
the DISTANCE between this pair of atomsdG7C9_14: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=217,273 
The DISTANCE action with label dG7C9_14 calculates the following quantities:
 Quantity   
 Description  
dG7C9_14.value
the DISTANCE between this pair of atomsdG7C9_15: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=217,275 
The DISTANCE action with label dG7C9_15 calculates the following quantities:
 Quantity   
 Description  
dG7C9_15.value
the DISTANCE between this pair of atomsdG7C9_16: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=217,280 
The DISTANCE action with label dG7C9_16 calculates the following quantities:
 Quantity   
 Description  
dG7C9_16.value
the DISTANCE between this pair of atomsdG7C9_17: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=220,267 
The DISTANCE action with label dG7C9_17 calculates the following quantities:
 Quantity   
 Description  
dG7C9_17.value
the DISTANCE between this pair of atomsdG7C9_18: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=220,271 
The DISTANCE action with label dG7C9_18 calculates the following quantities:
 Quantity   
 Description  
dG7C9_18.value
the DISTANCE between this pair of atomsdG7C9_19: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=220,273 
The DISTANCE action with label dG7C9_19 calculates the following quantities:
 Quantity   
 Description  
dG7C9_19.value
the DISTANCE between this pair of atomsdG7C9_20: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=220,275 
The DISTANCE action with label dG7C9_20 calculates the following quantities:
 Quantity   
 Description  
dG7C9_20.value
the DISTANCE between this pair of atomsG7C9_cmap: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=dG7C9_1,dG7C9_2,dG7C9_3,dG7C9_4,dG7C9_5,dG7C9_6,dG7C9_7,dG7C9_8,dG7C9_9,dG7C9_10,dG7C9_11,dG7C9_12,dG7C9_13,dG7C9_14,dG7C9_15,dG7C9_16,dG7C9_17,dG7C9_18,dG7C9_19,dG7C9_20 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO 
The COMBINE action with label G7C9_cmap calculates the following quantities:
 Quantity   
 Description  
G7C9_cmap.value
a linear compbinationmodel_s: MULTI_ANNThis action is not part of PLUMED and was included by using a LOAD command More details ARG=A8G24C25_cmap,A8G7C9_cmap,G7C9_cmap PARAMETERS=ann_multi_s.dat groupby=3 
model_z: MULTI_ANNThis action is not part of PLUMED and was included by using a LOAD command More details ARG=A8G24C25_cmap,A8G7C9_cmap,G7C9_cmap  PARAMETERS=ann_multi_z.dat groupby=3 
ene: ENERGYCalculate the total potential energy of the simulation box. More details
The ENERGY action with label ene calculates somethingOPES_METADOn-the-fly probability enhanced sampling with metadynamics-like target distribution. More details ...
  LABELa label for the action so that its output can be referenced in the input to other actions=opes
  ARGthe labels of the scalars on which the bias will act=model_s
  FILE a file in which the list of all deposited kernels is stored=Kernels.data
  STATE_RFILEread from this file the compressed kernels and all the info needed to RESTART the simulation=compressed.Kernels
  STATE_WFILEwrite to this file the compressed kernels and all the info needed to RESTART the simulation=compressed.Kernels
  PACEthe frequency for kernel deposition=5000
  BARRIERthe free energy barrier to be overcome=35
  CALC_WORK calculate the total accumulated work done by the bias since last restart
... OPES_METAD
The OPES_METAD action with label opes calculates the following quantities:
 Quantity   
 Description  
opes.bias
the instantaneous value of the bias potential
opes.rct
estimate of c(t)
opes.zed
estimate of Z_n
opes.neff
effective sample size
opes.nker
total number of compressed kernels used to represent the bias
opes.work
total accumulated work done by the biasPRINTPrint quantities to a file. More details FMTthe format that should be used to output real numbers=%8.4f STRIDE the frequency with which the quantities of interest should be output=500 FILEthe name of the file on which to output these quantities=COLVAR_DeepLNE ARGthe labels of the values that you would like to print to the file=A8G24C25_cmap,A8G7C9_cmap,G7C9_cmap,model_s,model_z,ene,opes.bias,opes.work,hldaN,AWO,t2,t3,t4,t5,t6