Project ID: plumID:22.037
Source: metad_setup/11bp_abasic-6_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=2,63 p2:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,60 p3:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=8,57 p4:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=11,54 p5:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=14,51 p7:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=19,45 p8:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=22,42 p9:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=25,39 p10:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=28,36 p11:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=31,33the pair of atom that we are calculating the distance between
d1:DISTANCESCalculate the distances between multiple piars of atoms More detailsATOMS1=2,63the pairs of atoms that you would like to calculate the angles forATOMS2=5,60the pairs of atoms that you would like to calculate the angles forATOMS3=8,57the pairs of atoms that you would like to calculate the angles forATOMS4=11,54the pairs of atoms that you would like to calculate the angles forATOMS5=14,51the pairs of atoms that you would like to calculate the angles forATOMS6=19,45the pairs of atoms that you would like to calculate the angles forATOMS7=22,42the pairs of atoms that you would like to calculate the angles forATOMS8=25,39the pairs of atoms that you would like to calculate the angles forATOMS9=28,36the pairs of atoms that you would like to calculate the angles forATOMS10=31,33the 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,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