Project ID: plumID:19.065
Source: iter_10pc[0.85,0.25].dat
Originally used with PLUMED version: 2.5
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
tested onv2.9
tested onmaster
com_1: 
COM
Calculate the center of mass for a group of atoms. More details
ATOMS
the list of atoms which are involved the virtual atom's definition
=2,5,7,9,15,17,19 p_com:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=com_1 p_0:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=2 p_1:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=5 p_2:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=7 p_3:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=9 p_4:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=15 p_5:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=17 p_6:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=19 l_0_out_0:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_0.x,p_com.x l_0_out_1:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_0.y,p_com.y l_0_out_2:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_0.z,p_com.z l_0_out_3:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_1.x,p_com.x l_0_out_4:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_1.y,p_com.y l_0_out_5:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_1.z,p_com.z l_0_out_6:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_2.x,p_com.x l_0_out_7:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_2.y,p_com.y l_0_out_8:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_2.z,p_com.z l_0_out_9:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_3.x,p_com.x l_0_out_10:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_3.y,p_com.y l_0_out_11:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_3.z,p_com.z l_0_out_12:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_4.x,p_com.x l_0_out_13:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_4.y,p_com.y l_0_out_14:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_4.z,p_com.z l_0_out_15:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_5.x,p_com.x l_0_out_16:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_5.y,p_com.y l_0_out_17:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_5.z,p_com.z l_0_out_18:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_6.x,p_com.x l_0_out_19:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_6.y,p_com.y l_0_out_20:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
COEFFICIENTS
the coefficients of the arguments in your function
=2.000000,-2.000000
ARG
the input to this function
=p_6.z,p_com.z ann_force:
ANN
Calculates the ANN-function. More details
ARG
the input for this action is the scalar output from one or more other actions
=l_0_out_0,l_0_out_1,l_0_out_2,l_0_out_3,l_0_out_4,l_0_out_5,l_0_out_6,l_0_out_7,l_0_out_8,l_0_out_9,l_0_out_10,l_0_out_11,l_0_out_12,l_0_out_13,l_0_out_14,l_0_out_15,l_0_out_16,l_0_out_17,l_0_out_18,l_0_out_19,l_0_out_20
NUM_LAYERS
number of layers of the neural network
=3
NUM_NODES
numbers of nodes in each layer of the neural network
=21,40,2
ACTIVATIONS
activation functions for the neural network
=Tanh,Tanh
WEIGHTS0
flattened weight arrays connecting adjacent layers, WEIGHTS0 represents flattened weight array connecting layer 0 and layer 1, WEIGHTS1 represents flattened weight array connecting layer 1 and layer 2,
=0.13987583,0.26415795,0.094360493,-0.18946418,0.53385878,-0.20047298,-0.036153372,0.19182011,0.49418068,-0.70487386,0.23159948,0.014220564,-0.24646579,-0.63583744,0.086460233,0.065823473,0.11421653,-0.45453489,0.66145843,0.054777112,-0.1936903,0.44278848,-0.098487005,-0.80080974,0.019091543,0.039730046,0.019826679,-0.074036248,-0.0048938165,-0.28527814,0.021635776,-0.34953821,0.22836483,0.70774716,-0.014183694,-0.6198746,-0.65167511,-0.28773293,0.60251284,-0.019424222,-0.18058701,0.11222731,-0.35325977,0.51981115,-0.96178192,1.0646397,0.56247956,1.253358,-0.48680428,0.013624298,-0.68584597,-0.49143004,-0.13549812,0.84923697,-0.45193172,-0.65204042,-0.56669474,0.55349982,0.1125632,0.60020101,0.42356923,-0.0013237076,-0.38586017,-0.63212657,0.47466955,0.37426299,0.27545068,-0.021120112,0.15774716,-0.10468721,0.16504098,0.11849122,0.16006806,-0.51532614,0.020741805,-0.42017403,0.53029442,0.5205887,0.36222139,-0.87471646,-0.44424519,0.16828914,-0.27506283,0.017113004,0.27377704,0.55677319,0.35905582,-0.024141146,0.1256576,-0.13651708,-0.19031338,-0.17143315,0.1491276,-0.2723501,-0.33544892,0.069212146,0.42600152,-0.70871818,0.59561747,-0.30132008,0.043713994,-0.046565652,0.48450986,0.42890149,-0.16567826,0.51270628,-0.15038148,-0.95898277,-0.40031463,-0.82796246,1.3939456,0.055310331,0.24602573,-0.9488852,-0.7219668,-0.04530691,0.29218853,0.1448718,1.0627643,-1.2576782,-0.07299076,-0.27787986,0.64302361,0.81732166,0.078344174,-0.13925198,-0.48299101,-0.74583721,-0.23936404,0.6520372,0.81693065,0.07053113,-0.62748361,-0.71666348,-0.15658741,-0.094541535,0.032680225,-0.081146799,0.82810825,1.2440903,0.5127424,-0.39299959,-0.86234099,-0.133596,0.093420602,0.1211158,-0.11351255,0.72740179,0.79012215,0.68785763,-0.28791305,-1.8740214,-0.62533188,0.32390034,0.63019282,-0.24251089,-0.66821647,-0.52068716,-1.1597655,-0.21578538,1.0280677,0.11533312,-0.20542282,-0.62668079,0.18258016,-0.25411206,0.13999161,0.2225295,0.85850781,0.0097939931,0.11733259,-0.19117424,0.040327609,0.01685551,0.51249564,0.098693088,0.017623316,-0.23312317,-0.090214103,0.27110544,0.53545749,0.093826041,-0.39405486,-1.0216218,0.22849356,0.099314891,-0.18798032,-0.095601678,0.21700327,-0.43934351,-0.29520205,-0.64761984,-0.19850551,0.077464916,0.0093014808,0.046027079,-0.027840022,-0.12782791,0.14787163,0.0041889683,0.1455895,-0.8343184,-0.071231849,-0.75821561,0.60174453,0.21899156,0.93454492,0.052402791,0.078387223,0.067307569,-0.11394116,-0.26696399,1.1892419,0.96840769,0.55506474,-1.0780843,-0.094756208,-0.78564662,0.32148826,-0.26678288,0.052973002,-1.0373559,-1.0225607,-0.61851788,0.49862599,0.32999417,0.78350341,-0.27913669,-0.047990814,0.30112123,0.55420685,-0.70327663,-0.075569183,-0.39555407,-0.15647042,-0.1771864,-0.1082353,-0.39820129,0.16942716,0.38289973,0.065628588,-0.07310845,0.3179816,-0.10714433,0.31535393,-0.034692701,0.35923764,-0.1505394,-0.42372239,0.48910457,-0.21976161,-0.74791217,0.82731867,-0.41271073,-0.35555121,-1.1258107,0.27435428,0.30324322,0.88261837,-0.5981397,-0.058102433,0.019586856,0.14094299,-0.2681506,-1.3140967,0.60246772,0.077660948,0.8632049,-0.42561519,-0.050917264,-0.18758279,-0.051409408,-0.05610618,0.32596245,-0.094518013,-0.21002139,0.080423445,0.27723029,0.090376906,-0.28022197,-0.23205486,0.15255591,-0.36762074,0.19958916,0.36742198,-0.24127917,0.22655083,-0.12245553,0.16638961,-0.27627963,0.11578454,0.15133983,-0.25174874,-0.34604788,-0.79542869,-1.24891,0.038179193,0.21083461,1.1957104,0.84141821,-0.43380305,-0.14617339,-0.38682345,0.2842665,1.1199974,-0.077668078,-0.080805436,-0.65115237,-0.95752287,0.11569913,0.33764929,0.5966872,0.24397814,-0.766716,0.24468029,0.59345812,0.74314058,0.55267698,-1.3945358,-0.54612207,0.13499831,0.78413284,0.045812804,0.29738143,-0.29081076,-1.0102271,-0.23918194,1.2532966,0.14786294,-0.50196946,-0.7998423,0.088720135,0.13248356,0.018095337,0.63374984,-0.18357833,0.10482501,0.45491984,0.36227992,-0.41963944,0.53160286,-0.56902868,0.20600516,-0.15712976,0.63712412,-0.21270421,-0.057469033,-0.019666418,-0.21604159,-0.19984472,0.38477442,0.17451881,0.015548335,-0.033549692,0.27666536,0.2017584,0.016127843,0.57272869,-0.52379555,-0.53485173,-1.3775141,0.41652837,0.014511939,0.35867196,-0.44397417,0.25415885,-0.27239263,0.1496328,0.77666605,1.2206219,-0.012696067,0.61889118,-0.65178907,0.1243059,-0.23456296,0.39399621,0.53213763,-0.21858662,-0.11007427,0.018962467,0.17693789,0.3039628,-0.062333714,-0.20822538,0.24905926,0.14575426,-0.37904334,-0.1985914,0.29568252,0.33813176,0.1692425,0.26020437,-0.11568037,-0.35176462,0.0010229259,0.24110341,0.18316226,0.043574773,-0.15246171,-0.90526348,0.48548326,-0.088550381,0.68181711,-0.87827319,-1.0572108,-0.30852509,0.21321367,0.71730834,0.43645465,-0.70527881,0.33365682,-0.16244116,0.75996596,1.0421518,0.48262557,-0.36825985,-0.7487191,-0.016516389,0.7137832,-0.20329413,-0.55343336,-1.1785481,-0.082194231,-0.17654845,1.4549285,-0.97469443,0.32451412,-0.7366274,0.18918964,0.7108621,0.49063116,0.069308586,-0.048524722,-0.9003223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WEIGHTS1
flattened weight arrays connecting adjacent layers, WEIGHTS0 represents flattened weight array connecting layer 0 and layer 1, WEIGHTS1 represents flattened weight array connecting layer 1 and layer 2,
=0.77344841,-0.29414463,-1.6978056,-0.13063663,0.39704907,1.8736819,0.72373867,2.0881131,0.18313161,0.355308,-1.916425,0.67006516,-0.92443782,-0.11423839,1.7971238,1.7798725,1.0098712,-1.7111522,-0.15189299,1.7747121,1.9996315,-0.24853724,-1.7898036,1.9107976,-2.1558392,1.3657448,0.0084374342,-0.13056301,1.795984,1.3411089,1.9075364,-0.31848818,-1.4542729,-1.775088,-0.58084404,-0.58970803,0.029906295,1.7895145,-1.7188559,1.7851392,-0.25304312,-1.6836355,0.3721332,-1.175071,-0.62329441,-0.39465141,1.4007956,-0.40331012,1.1107358,1.9117254,0.43985713,-0.14437149,-1.296436,0.24451791,-0.35389248,-0.37311333,0.49437895,0.30872315,-0.22298311,-0.38789687,-0.43545952,-1.645131,0.41830021,-0.3956145,0.46518299,-0.24318275,-0.41142401,-1.247003,-0.37899557,-0.29322559,-0.38944328,-0.93914151,0.34314537,0.37776199,-1.4658709,-0.74603903,-0.12951267,-0.37005571,0.37495339,-0.37983003
BIASES0
bias array for each layer of the neural network, BIASES0 represents bias array for layer 1, BIASES1 represents bias array for layer 2,
=-0.0055254959,0.78720057,0.014547006,0.80796558,-0.13996057,-0.024399251,0.93444455,-0.030929221,-0.72495371,-0.88794476,0.046587817,-0.012610422,-0.77836734,0.21859954,-0.017470572,-0.030374831,-0.19417678,0.041147519,-0.10680339,-0.034718998,-0.02578192,0.68725622,0.035567258,-0.030912522,0.028020585,0.0083604837,0.059522483,0.78927821,-0.01162482,-0.060221627,-0.031542361,0.34519917,0.05392414,0.0096205194,-0.88806677,-0.83240187,0.068880782,-0.014645247,0.049268197,-0.033397291
BIASES1
bias array for each layer of the neural network, BIASES0 represents bias array for layer 1, BIASES1 represents bias array for layer 2,
=0.30446702,1.768932 restraint:
RESTRAINT
Adds harmonic and/or linear restraints on one or more variables. More details
ARG
the arguments on which the bias is acting
=ann_force.node-0,ann_force.node-1
AT
the position of the restraint
=0.85,0.25
KAPPA
specifies that the restraint is harmonic and what the values of the force constants on each of the variables are
=3000,3000