**Project ID:** plumID:20.017

**Source:** beaded-helix/helix_sf_f-4.5_eps7.5_10000000.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

#UNITS LENGTH=A TIME=fs ENERGY=kcal/molb1: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 detailsATOMS=1the numerical indexes for the set of atoms in the groupb2: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 detailsATOMS=12the numerical indexes for the set of atoms in the groupcas: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 detailsATOMS=1-12the numerical indexes for the set of atoms in the groupdend:DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=the pair of atom that we are calculating the distance betweenb1,b2rg:GYRATIONCalculate the radius of gyration, or other properties related to it. More detailsTYPE=RADIUSThe type of calculation relative to the Gyration Tensor you want to performATOMS=the group of atoms that you are calculating the Gyration Tensor forcasENERGYCalculate the total potential energy of the simulation box. More detailsLABEL=a label for the action so that its output can be referenced in the input to other actionsen

#The conversion factor is 69.4786 pN = 1 kcal/mol/Angstrom #100pN = 1.4425 kcal/mol/Ap:RESTRAINT...Adds harmonic and/or linear restraints on one or more variables. More detailsARG=the arguments on which the bias is actingdendAT=0the position of the restraintSLOPE=-4.5specifies that the restraint is linear and what the values of the force constants on each of the variables areKAPPA=0 ... p:specifies that the restraint is harmonic and what the values of the force constants on each of the variables arePrint quantities to a file. More detailsARG=the input for this action is the scalar output from one or more other actionsdend,en,p.bias,p.force2STRIDE=1000the frequency with which the quantities of interest should be outputFILE=helix_sf_f-4.5_eps7.5_10000000.en.colvars.datthe name of the file on which to output these quantitiesFMT=%8.4fthe format that should be used to output real numbers