Project ID: plumID:22.037
Source: metad_setup/11bp_plumed.dat
Originally used with PLUMED version: 2.7
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
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# between atoms 1 and 10
p1:DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,64 p2:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,61 p3:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=8,58 p4:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=11,55 p5:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=14,52 p6:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=17,49 p7:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=20,46 p8:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=23,43 p9:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=26,40 p10:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=29,37 p11:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=32,34the pair of atom that we are calculating the distance between
d1:DISTANCESCalculate the distances between multiple piars of atoms More detailsATOMS1=2,64the pairs of atoms that you would like to calculate the angles forATOMS2=5,61the pairs of atoms that you would like to calculate the angles forATOMS3=8,58the pairs of atoms that you would like to calculate the angles forATOMS4=11,55the pairs of atoms that you would like to calculate the angles forATOMS5=14,52the pairs of atoms that you would like to calculate the angles forATOMS6=17,49the pairs of atoms that you would like to calculate the angles forATOMS7=20,46the pairs of atoms that you would like to calculate the angles forATOMS8=23,43the pairs of atoms that you would like to calculate the angles forATOMS9=26,40the pairs of atoms that you would like to calculate the angles forATOMS10=29,37the pairs of atoms that you would like to calculate the angles forATOMS11=32,34the pairs of atoms that you would like to calculate the angles forMEANcalculate the mean of all the quantitiesMETAD...Used to performed metadynamics on one or more collective variables. More detailsLABEL=metada label for the action so that its output can be referenced in the input to other actionsARG=d1.mean # take the mean of all distanesthe input for this action is the scalar output from one or more other actionsPACE=1000the frequency for hill additionHEIGHT=0.5 #1.2the heights of the Gaussian hillsSIGMA=0.08 #0.35the widths of the Gaussian hillsFILE=HILLSa file in which the list of added hills is storedBIASFACTOR=6.0use well tempered metadynamics and use this bias factorTEMP=315.0the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=0.45the lower bounds for the gridGRID_MAX=7.5 ... METADthe upper bounds for the gridPrint quantities to a file. More detailsARG=p1,p2,p3,p4,p5,p6,p7,p8,p9,p10,p11,d1.mean,metad.biasthe input for this action is the scalar output from one or more other actionsSTRIDE=5000the frequency with which the quantities of interest should be outputFILE=COLVARthe name of the file on which to output these quantities