**Project ID:** plumID:23.000

**Source:** plumed_PT.9.dat

**Originally used with PLUMED version:** 2.3.1

**Stable:** zipped raw stdout - zipped raw stderr - stderr

**Master:** zipped raw stdout - zipped raw stderr - stderr

WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsSTRIDE=1the frequency with which molecules are reassembledENTITY0=1-328the atoms that make up a molecule that you wish to alignene:ENERGYCalculate the total potential energy of the simulation box. More detailswte:METADUsed to performed metadynamics on one or more collective variables. More detailsARG=the input for this action is the scalar output from one or more other actionsenePACE=2000the frequency for hill additionHEIGHT=1.5the heights of the Gaussian hillsSIGMA=600.0the widths of the Gaussian hillsFILE=data/hills/HILLS_PTWTEa file in which the list of added hills is storedBIASFACTOR=25.0use well tempered metadynamics and use this bias factorTEMP=412.4the system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=-540477.6the lower bounds for the gridGRID_MAX=360318.4the upper bounds for the grid

#monitor energy and bias potentialPrint quantities to a file. More detailsSTRIDE=5000the frequency with which the quantities of interest should be outputARG=the input for this action is the scalar output from one or more other actionseneFILE=data/colvar/COLVAR_PTWTEthe name of the file on which to output these quantitiesCONTACTMAP...Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More detailsATOMS1=15,315the atoms involved in each of the contacts you wish to calculateSWITCH1={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.744}The switching functions to use for each of the contacts in your mapWEIGHT1=0.00877192982A weight value for a given contact, by default is 1ATOMS2=16,314the atoms involved in each of the contacts you wish to calculateSWITCH2={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.621}The switching functions to use for each of the contacts in your mapWEIGHT2=0.00877192982A weight value for a given contact, by default is 1ATOMS3=16,315the atoms involved in each of the contacts you wish to calculateSWITCH3={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.539}The switching functions to use for each of the contacts in your mapWEIGHT3=0.00877192982A weight value for a given contact, by default is 1ATOMS4=16,318the atoms involved in each of the contacts you wish to calculateSWITCH4={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.553}The switching functions to use for each of the contacts in your mapWEIGHT4=0.00877192982A weight value for a given contact, by default is 1ATOMS5=16,319the atoms involved in each of the contacts you wish to calculateSWITCH5={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.721}The switching functions to use for each of the contacts in your mapWEIGHT5=0.00877192982A weight value for a given contact, by default is 1ATOMS6=17,284the atoms involved in each of the contacts you wish to calculateSWITCH6={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.733}The switching functions to use for each of the contacts in your mapWEIGHT6=0.00877192982A weight value for a given contact, by default is 1ATOMS7=17,312the atoms involved in each of the contacts you wish to calculateSWITCH7={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.743}The switching functions to use for each of the contacts in your mapWEIGHT7=0.00877192982A weight value for a given contact, by default is 1ATOMS8=17,314the atoms involved in each of the contacts you wish to calculateSWITCH8={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.536}The switching functions to use for each of the contacts in your mapWEIGHT8=0.00877192982A weight value for a given contact, by default is 1ATOMS9=17,315the atoms involved in each of the contacts you wish to calculateSWITCH9={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.408}The switching functions to use for each of the contacts in your mapWEIGHT9=0.00877192982A weight value for a given contact, by default is 1ATOMS10=17,318the atoms involved in each of the contacts you wish to calculateSWITCH10={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.528}The switching functions to use for each of the contacts in your mapWEIGHT10=0.00877192982A weight value for a given contact, by default is 1ATOMS11=17,319the atoms involved in each of the contacts you wish to calculateSWITCH11={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.722}The switching functions to use for each of the contacts in your mapWEIGHT11=0.00877192982A weight value for a given contact, by default is 1ATOMS12=18,314the atoms involved in each of the contacts you wish to calculateSWITCH12={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.564}The switching functions to use for each of the contacts in your mapWEIGHT12=0.00877192982A weight value for a given contact, by default is 1ATOMS13=18,315the atoms involved in each of the contacts you wish to calculateSWITCH13={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.551}The switching functions to use for each of the contacts in your mapWEIGHT13=0.00877192982A weight value for a given contact, by default is 1ATOMS14=18,318the atoms involved in each of the contacts you wish to calculateSWITCH14={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.436}The switching functions to use for each of the contacts in your mapWEIGHT14=0.00877192982A weight value for a given contact, by default is 1ATOMS15=18,319the atoms involved in each of the contacts you wish to calculateSWITCH15={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.565}The switching functions to use for each of the contacts in your mapWEIGHT15=0.00877192982A weight value for a given contact, by default is 1ATOMS16=18,320the atoms involved in each of the contacts you wish to calculateSWITCH16={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.565}The switching functions to use for each of the contacts in your mapWEIGHT16=0.00877192982A weight value for a given contact, by default is 1ATOMS17=20,314the atoms involved in each of the contacts you wish to calculateSWITCH17={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.736}The switching functions to use for each of the contacts in your mapWEIGHT17=0.00877192982A weight value for a given contact, by default is 1ATOMS18=20,318the atoms involved in each of the contacts you wish to calculateSWITCH18={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.577}The switching functions to use for each of the contacts in your mapWEIGHT18=0.00877192982A weight value for a given contact, by default is 1ATOMS19=20,319the atoms involved in each of the contacts you wish to calculateSWITCH19={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.650}The switching functions to use for each of the contacts in your mapWEIGHT19=0.00877192982A weight value for a given contact, by default is 1ATOMS20=20,320the atoms involved in each of the contacts you wish to calculateSWITCH20={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.589}The switching functions to use for each of the contacts in your mapWEIGHT20=0.00877192982A weight value for a given contact, by default is 1ATOMS21=21,314the atoms involved in each of the contacts you wish to calculateSWITCH21={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.747}The switching functions to use for each of the contacts in your mapWEIGHT21=0.00877192982A weight value for a given contact, by default is 1ATOMS22=21,318the atoms involved in each of the contacts you wish to calculateSWITCH22={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.560}The switching functions to use for each of the contacts in your mapWEIGHT22=0.00877192982A weight value for a given contact, by default is 1ATOMS23=21,319the atoms involved in each of the contacts you wish to calculateSWITCH23={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.569}The switching functions to use for each of the contacts in your mapWEIGHT23=0.00877192982A weight value for a given contact, by default is 1ATOMS24=21,320the atoms involved in each of the contacts you wish to calculateSWITCH24={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.462}The switching functions to use for each of the contacts in your mapWEIGHT24=0.00877192982A weight value for a given contact, by default is 1ATOMS25=49,284the atoms involved in each of the contacts you wish to calculateSWITCH25={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.745}The switching functions to use for each of the contacts in your mapWEIGHT25=0.00877192982A weight value for a given contact, by default is 1ATOMS26=49,315the atoms involved in each of the contacts you wish to calculateSWITCH26={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.737}The switching functions to use for each of the contacts in your mapWEIGHT26=0.00877192982A weight value for a given contact, by default is 1ATOMS27=49,318the atoms involved in each of the contacts you wish to calculateSWITCH27={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.703}The switching functions to use for each of the contacts in your mapWEIGHT27=0.00877192982A weight value for a given contact, by default is 1ATOMS28=50,250the atoms involved in each of the contacts you wish to calculateSWITCH28={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.713}The switching functions to use for each of the contacts in your mapWEIGHT28=0.00877192982A weight value for a given contact, by default is 1ATOMS29=50,283the atoms involved in each of the contacts you wish to calculateSWITCH29={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.618}The switching functions to use for each of the contacts in your mapWEIGHT29=0.00877192982A weight value for a given contact, by default is 1ATOMS30=50,284the atoms involved in each of the contacts you wish to calculateSWITCH30={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.538}The switching functions to use for each of the contacts in your mapWEIGHT30=0.00877192982A weight value for a given contact, by default is 1ATOMS31=50,287the atoms involved in each of the contacts you wish to calculateSWITCH31={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.553}The switching functions to use for each of the contacts in your mapWEIGHT31=0.00877192982A weight value for a given contact, by default is 1ATOMS32=50,288the atoms involved in each of the contacts you wish to calculateSWITCH32={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.720}The switching functions to use for each of the contacts in your mapWEIGHT32=0.00877192982A weight value for a given contact, by default is 1ATOMS33=50,314the atoms involved in each of the contacts you wish to calculateSWITCH33={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.622}The switching functions to use for each of the contacts in your mapWEIGHT33=0.00877192982A weight value for a given contact, by default is 1ATOMS34=50,315the atoms involved in each of the contacts you wish to calculateSWITCH34={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.579}The switching functions to use for each of the contacts in your mapWEIGHT34=0.00877192982A weight value for a given contact, by default is 1ATOMS35=50,318the atoms involved in each of the contacts you wish to calculateSWITCH35={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.602}The switching functions to use for each of the contacts in your mapWEIGHT35=0.00877192982A weight value for a given contact, by default is 1ATOMS36=50,319the atoms involved in each of the contacts you wish to calculateSWITCH36={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.730}The switching functions to use for each of the contacts in your mapWEIGHT36=0.00877192982A weight value for a given contact, by default is 1ATOMS37=51,249the atoms involved in each of the contacts you wish to calculateSWITCH37={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.713}The switching functions to use for each of the contacts in your mapWEIGHT37=0.00877192982A weight value for a given contact, by default is 1ATOMS38=51,250the atoms involved in each of the contacts you wish to calculateSWITCH38={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.628}The switching functions to use for each of the contacts in your mapWEIGHT38=0.00877192982A weight value for a given contact, by default is 1ATOMS39=51,251the atoms involved in each of the contacts you wish to calculateSWITCH39={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.736}The switching functions to use for each of the contacts in your mapWEIGHT39=0.00877192982A weight value for a given contact, by default is 1ATOMS40=51,281the atoms involved in each of the contacts you wish to calculateSWITCH40={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.742}The switching functions to use for each of the contacts in your mapWEIGHT40=0.00877192982A weight value for a given contact, by default is 1ATOMS41=51,283the atoms involved in each of the contacts you wish to calculateSWITCH41={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.534}The switching functions to use for each of the contacts in your mapWEIGHT41=0.00877192982A weight value for a given contact, by default is 1ATOMS42=51,284the atoms involved in each of the contacts you wish to calculateSWITCH42={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.408}The switching functions to use for each of the contacts in your mapWEIGHT42=0.00877192982A weight value for a given contact, by default is 1ATOMS43=51,287the atoms involved in each of the contacts you wish to calculateSWITCH43={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.529}The switching functions to use for each of the contacts in your mapWEIGHT43=0.00877192982A weight value for a given contact, by default is 1ATOMS44=51,288the atoms involved in each of the contacts you wish to calculateSWITCH44={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.723}The switching functions to use for each of the contacts in your mapWEIGHT44=0.00877192982A weight value for a given contact, by default is 1ATOMS45=51,312the atoms involved in each of the contacts you wish to calculateSWITCH45={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.742}The switching functions to use for each of the contacts in your mapWEIGHT45=0.00877192982A weight value for a given contact, by default is 1ATOMS46=51,314the atoms involved in each of the contacts you wish to calculateSWITCH46={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.592}The switching functions to use for each of the contacts in your mapWEIGHT46=0.00877192982A weight value for a given contact, by default is 1ATOMS47=51,315the atoms involved in each of the contacts you wish to calculateSWITCH47={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.495}The switching functions to use for each of the contacts in your mapWEIGHT47=0.00877192982A weight value for a given contact, by default is 1ATOMS48=51,318the atoms involved in each of the contacts you wish to calculateSWITCH48={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.623}The switching functions to use for each of the contacts in your mapWEIGHT48=0.00877192982A weight value for a given contact, by default is 1ATOMS49=52,250the atoms involved in each of the contacts you wish to calculateSWITCH49={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.737}The switching functions to use for each of the contacts in your mapWEIGHT49=0.00877192982A weight value for a given contact, by default is 1ATOMS50=52,251the atoms involved in each of the contacts you wish to calculateSWITCH50={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.689}The switching functions to use for each of the contacts in your mapWEIGHT50=0.00877192982A weight value for a given contact, by default is 1ATOMS51=52,283the atoms involved in each of the contacts you wish to calculateSWITCH51={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.563}The switching functions to use for each of the contacts in your mapWEIGHT51=0.00877192982A weight value for a given contact, by default is 1ATOMS52=52,284the atoms involved in each of the contacts you wish to calculateSWITCH52={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.552}The switching functions to use for each of the contacts in your mapWEIGHT52=0.00877192982A weight value for a given contact, by default is 1ATOMS53=52,287the atoms involved in each of the contacts you wish to calculateSWITCH53={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.437}The switching functions to use for each of the contacts in your mapWEIGHT53=0.00877192982A weight value for a given contact, by default is 1ATOMS54=52,288the atoms involved in each of the contacts you wish to calculateSWITCH54={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.567}The switching functions to use for each of the contacts in your mapWEIGHT54=0.00877192982A weight value for a given contact, by default is 1ATOMS55=52,289the atoms involved in each of the contacts you wish to calculateSWITCH55={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.566}The switching functions to use for each of the contacts in your mapWEIGHT55=0.00877192982A weight value for a given contact, by default is 1ATOMS56=52,309the atoms involved in each of the contacts you wish to calculateSWITCH56={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.738}The switching functions to use for each of the contacts in your mapWEIGHT56=0.00877192982A weight value for a given contact, by default is 1ATOMS57=52,312the atoms involved in each of the contacts you wish to calculateSWITCH57={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.695}The switching functions to use for each of the contacts in your mapWEIGHT57=0.00877192982A weight value for a given contact, by default is 1ATOMS58=52,314the atoms involved in each of the contacts you wish to calculateSWITCH58={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.589}The switching functions to use for each of the contacts in your mapWEIGHT58=0.00877192982A weight value for a given contact, by default is 1ATOMS59=52,315the atoms involved in each of the contacts you wish to calculateSWITCH59={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.606}The switching functions to use for each of the contacts in your mapWEIGHT59=0.00877192982A weight value for a given contact, by default is 1ATOMS60=52,318the atoms involved in each of the contacts you wish to calculateSWITCH60={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.564}The switching functions to use for each of the contacts in your mapWEIGHT60=0.00877192982A weight value for a given contact, by default is 1ATOMS61=52,319the atoms involved in each of the contacts you wish to calculateSWITCH61={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.645}The switching functions to use for each of the contacts in your mapWEIGHT61=0.00877192982A weight value for a given contact, by default is 1ATOMS62=52,320the atoms involved in each of the contacts you wish to calculateSWITCH62={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.709}The switching functions to use for each of the contacts in your mapWEIGHT62=0.00877192982A weight value for a given contact, by default is 1ATOMS63=54,283the atoms involved in each of the contacts you wish to calculateSWITCH63={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.734}The switching functions to use for each of the contacts in your mapWEIGHT63=0.00877192982A weight value for a given contact, by default is 1ATOMS64=54,284the atoms involved in each of the contacts you wish to calculateSWITCH64={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.749}The switching functions to use for each of the contacts in your mapWEIGHT64=0.00877192982A weight value for a given contact, by default is 1ATOMS65=54,287the atoms involved in each of the contacts you wish to calculateSWITCH65={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.575}The switching functions to use for each of the contacts in your mapWEIGHT65=0.00877192982A weight value for a given contact, by default is 1ATOMS66=54,288the atoms involved in each of the contacts you wish to calculateSWITCH66={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.649}The switching functions to use for each of the contacts in your mapWEIGHT66=0.00877192982A weight value for a given contact, by default is 1ATOMS67=54,289the atoms involved in each of the contacts you wish to calculateSWITCH67={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.589}The switching functions to use for each of the contacts in your mapWEIGHT67=0.00877192982A weight value for a given contact, by default is 1ATOMS68=54,314the atoms involved in each of the contacts you wish to calculateSWITCH68={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.710}The switching functions to use for each of the contacts in your mapWEIGHT68=0.00877192982A weight value for a given contact, by default is 1ATOMS69=54,318the atoms involved in each of the contacts you wish to calculateSWITCH69={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.639}The switching functions to use for each of the contacts in your mapWEIGHT69=0.00877192982A weight value for a given contact, by default is 1ATOMS70=54,319the atoms involved in each of the contacts you wish to calculateSWITCH70={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.662}The switching functions to use for each of the contacts in your mapWEIGHT70=0.00877192982A weight value for a given contact, by default is 1ATOMS71=54,320the atoms involved in each of the contacts you wish to calculateSWITCH71={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.680}The switching functions to use for each of the contacts in your mapWEIGHT71=0.00877192982A weight value for a given contact, by default is 1ATOMS72=55,254the atoms involved in each of the contacts you wish to calculateSWITCH72={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.729}The switching functions to use for each of the contacts in your mapWEIGHT72=0.00877192982A weight value for a given contact, by default is 1ATOMS73=55,283the atoms involved in each of the contacts you wish to calculateSWITCH73={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.746}The switching functions to use for each of the contacts in your mapWEIGHT73=0.00877192982A weight value for a given contact, by default is 1ATOMS74=55,287the atoms involved in each of the contacts you wish to calculateSWITCH74={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.560}The switching functions to use for each of the contacts in your mapWEIGHT74=0.00877192982A weight value for a given contact, by default is 1ATOMS75=55,288the atoms involved in each of the contacts you wish to calculateSWITCH75={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.569}The switching functions to use for each of the contacts in your mapWEIGHT75=0.00877192982A weight value for a given contact, by default is 1ATOMS76=55,289the atoms involved in each of the contacts you wish to calculateSWITCH76={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.462}The switching functions to use for each of the contacts in your mapWEIGHT76=0.00877192982A weight value for a given contact, by default is 1ATOMS77=55,309the atoms involved in each of the contacts you wish to calculateSWITCH77={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.704}The switching functions to use for each of the contacts in your mapWEIGHT77=0.00877192982A weight value for a given contact, by default is 1ATOMS78=55,314the atoms involved in each of the contacts you wish to calculateSWITCH78={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.749}The switching functions to use for each of the contacts in your mapWEIGHT78=0.00877192982A weight value for a given contact, by default is 1ATOMS79=55,318the atoms involved in each of the contacts you wish to calculateSWITCH79={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.689}The switching functions to use for each of the contacts in your mapWEIGHT79=0.00877192982A weight value for a given contact, by default is 1ATOMS80=55,319the atoms involved in each of the contacts you wish to calculateSWITCH80={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.664}The switching functions to use for each of the contacts in your mapWEIGHT80=0.00877192982A weight value for a given contact, by default is 1ATOMS81=55,320the atoms involved in each of the contacts you wish to calculateSWITCH81={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.686}The switching functions to use for each of the contacts in your mapWEIGHT81=0.00877192982A weight value for a given contact, by default is 1ATOMS82=58,318the atoms involved in each of the contacts you wish to calculateSWITCH82={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.739}The switching functions to use for each of the contacts in your mapWEIGHT82=0.00877192982A weight value for a given contact, by default is 1ATOMS83=58,320the atoms involved in each of the contacts you wish to calculateSWITCH83={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.730}The switching functions to use for each of the contacts in your mapWEIGHT83=0.00877192982A weight value for a given contact, by default is 1ATOMS84=82,250the atoms involved in each of the contacts you wish to calculateSWITCH84={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.741}The switching functions to use for each of the contacts in your mapWEIGHT84=0.00877192982A weight value for a given contact, by default is 1ATOMS85=84,249the atoms involved in each of the contacts you wish to calculateSWITCH85={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.619}The switching functions to use for each of the contacts in your mapWEIGHT85=0.00877192982A weight value for a given contact, by default is 1ATOMS86=84,250the atoms involved in each of the contacts you wish to calculateSWITCH86={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.534}The switching functions to use for each of the contacts in your mapWEIGHT86=0.00877192982A weight value for a given contact, by default is 1ATOMS87=84,251the atoms involved in each of the contacts you wish to calculateSWITCH87={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.564}The switching functions to use for each of the contacts in your mapWEIGHT87=0.00877192982A weight value for a given contact, by default is 1ATOMS88=84,253the atoms involved in each of the contacts you wish to calculateSWITCH88={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.736}The switching functions to use for each of the contacts in your mapWEIGHT88=0.00877192982A weight value for a given contact, by default is 1ATOMS89=84,254the atoms involved in each of the contacts you wish to calculateSWITCH89={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.747}The switching functions to use for each of the contacts in your mapWEIGHT89=0.00877192982A weight value for a given contact, by default is 1ATOMS90=84,284the atoms involved in each of the contacts you wish to calculateSWITCH90={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.717}The switching functions to use for each of the contacts in your mapWEIGHT90=0.00877192982A weight value for a given contact, by default is 1ATOMS91=84,287the atoms involved in each of the contacts you wish to calculateSWITCH91={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.732}The switching functions to use for each of the contacts in your mapWEIGHT91=0.00877192982A weight value for a given contact, by default is 1ATOMS92=85,248the atoms involved in each of the contacts you wish to calculateSWITCH92={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.746}The switching functions to use for each of the contacts in your mapWEIGHT92=0.00877192982A weight value for a given contact, by default is 1ATOMS93=85,249the atoms involved in each of the contacts you wish to calculateSWITCH93={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.538}The switching functions to use for each of the contacts in your mapWEIGHT93=0.00877192982A weight value for a given contact, by default is 1ATOMS94=85,250the atoms involved in each of the contacts you wish to calculateSWITCH94={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.408}The switching functions to use for each of the contacts in your mapWEIGHT94=0.00877192982A weight value for a given contact, by default is 1ATOMS95=85,251the atoms involved in each of the contacts you wish to calculateSWITCH95={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.551}The switching functions to use for each of the contacts in your mapWEIGHT95=0.00877192982A weight value for a given contact, by default is 1ATOMS96=85,283the atoms involved in each of the contacts you wish to calculateSWITCH96={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.717}The switching functions to use for each of the contacts in your mapWEIGHT96=0.00877192982A weight value for a given contact, by default is 1ATOMS97=85,284the atoms involved in each of the contacts you wish to calculateSWITCH97={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.610}The switching functions to use for each of the contacts in your mapWEIGHT97=0.00877192982A weight value for a given contact, by default is 1ATOMS98=85,287the atoms involved in each of the contacts you wish to calculateSWITCH98={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.716}The switching functions to use for each of the contacts in your mapWEIGHT98=0.00877192982A weight value for a given contact, by default is 1ATOMS99=88,249the atoms involved in each of the contacts you wish to calculateSWITCH99={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.551}The switching functions to use for each of the contacts in your mapWEIGHT99=0.00877192982A weight value for a given contact, by default is 1ATOMS100=88,250the atoms involved in each of the contacts you wish to calculateSWITCH100={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.527}The switching functions to use for each of the contacts in your mapWEIGHT100=0.00877192982A weight value for a given contact, by default is 1ATOMS101=88,251the atoms involved in each of the contacts you wish to calculateSWITCH101={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.435}The switching functions to use for each of the contacts in your mapWEIGHT101=0.00877192982A weight value for a given contact, by default is 1ATOMS102=88,253the atoms involved in each of the contacts you wish to calculateSWITCH102={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.575}The switching functions to use for each of the contacts in your mapWEIGHT102=0.00877192982A weight value for a given contact, by default is 1ATOMS103=88,254the atoms involved in each of the contacts you wish to calculateSWITCH103={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.560}The switching functions to use for each of the contacts in your mapWEIGHT103=0.00877192982A weight value for a given contact, by default is 1ATOMS104=88,283the atoms involved in each of the contacts you wish to calculateSWITCH104={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.731}The switching functions to use for each of the contacts in your mapWEIGHT104=0.00877192982A weight value for a given contact, by default is 1ATOMS105=88,284the atoms involved in each of the contacts you wish to calculateSWITCH105={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.715}The switching functions to use for each of the contacts in your mapWEIGHT105=0.00877192982A weight value for a given contact, by default is 1ATOMS106=88,287the atoms involved in each of the contacts you wish to calculateSWITCH106={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.664}The switching functions to use for each of the contacts in your mapWEIGHT106=0.00877192982A weight value for a given contact, by default is 1ATOMS107=89,249the atoms involved in each of the contacts you wish to calculateSWITCH107={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.720}The switching functions to use for each of the contacts in your mapWEIGHT107=0.00877192982A weight value for a given contact, by default is 1ATOMS108=89,250the atoms involved in each of the contacts you wish to calculateSWITCH108={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.722}The switching functions to use for each of the contacts in your mapWEIGHT108=0.00877192982A weight value for a given contact, by default is 1ATOMS109=89,251the atoms involved in each of the contacts you wish to calculateSWITCH109={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.566}The switching functions to use for each of the contacts in your mapWEIGHT109=0.00877192982A weight value for a given contact, by default is 1ATOMS110=89,253the atoms involved in each of the contacts you wish to calculateSWITCH110={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.650}The switching functions to use for each of the contacts in your mapWEIGHT110=0.00877192982A weight value for a given contact, by default is 1ATOMS111=89,254the atoms involved in each of the contacts you wish to calculateSWITCH111={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.570}The switching functions to use for each of the contacts in your mapWEIGHT111=0.00877192982A weight value for a given contact, by default is 1ATOMS112=90,251the atoms involved in each of the contacts you wish to calculateSWITCH112={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.564}The switching functions to use for each of the contacts in your mapWEIGHT112=0.00877192982A weight value for a given contact, by default is 1ATOMS113=90,253the atoms involved in each of the contacts you wish to calculateSWITCH113={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.587}The switching functions to use for each of the contacts in your mapWEIGHT113=0.00877192982A weight value for a given contact, by default is 1ATOMS114=90,254the atoms involved in each of the contacts you wish to calculateSWITCH114={Q R_0=0.01 BETA=50 LAMBDA=1.0 REF=0.461}The switching functions to use for each of the contacts in your mapWEIGHT114=0.00877192982A weight value for a given contact, by default is 1LABEL=a label for the action so that its output can be referenced in the input to other actionscmapSUMcalculate the sum of all the contacts in the inputNOPBC... CONTACTMAPignore the periodic boundary conditions when calculating distanceswtm:METADUsed to performed metadynamics on one or more collective variables. More detailsARG=the input for this action is the scalar output from one or more other actionscmapPACE=1000the frequency for hill additionHEIGHT=1.8the heights of the Gaussian hillsSIGMA=0.01the widths of the Gaussian hillsFILE=data/hills/hillsa file in which the list of added hills is storedBIASFACTOR=25use well tempered metadynamics and use this bias factorTEMP=412.4the system temperature - this is only needed if you are doing well-tempered metadynamicsINTERVAL=0.01,0.99one dimensional lower and upper limits, outside the limits the system will not feel the biasing forceGRID_MIN=-0.05the lower bounds for the gridGRID_MAX=1.05the upper bounds for the gridlw:LOWER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=the arguments on which the bias is actingcmapAT=0.01the positions of the wallKAPPA=75000the force constant for the walluw:UPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=the arguments on which the bias is actingcmapAT=0.99the positions of the wallKAPPA=75000the force constant for the wallPrint quantities to a file. More detailsSTRIDE=1000the frequency with which the quantities of interest should be outputARG=the input for this action is the scalar output from one or more other actionscmap,wtm.bias,lw.bias,uw.biasFILE=data/colvar/colvarthe name of the file on which to output these quantities