**Project ID:** plumID:21.017

**Source:** plumed/md/nmr_disp.dat

**Originally used with PLUMED version:** 2.5

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

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

MOLINFOThis command is used to provide information on the molecules that are present in your system. More detailsSTRUCTURE=../topologies/nmr_disp.pdba file in pdb format containing a reference structureprot: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=1-3410the numerical indexes for the set of atoms in the groupWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=the atoms that make up a molecule that you wish to alignprotCONTACTMAP...Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More detailsATOMS1=1,2655the atoms involved in each of the contacts you wish to calculateSWITCH1={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5062361359596252}The switching functions to use for each of the contacts in your mapWEIGHT1=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS2=1,2658the atoms involved in each of the contacts you wish to calculateSWITCH2={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47566166520118713}The switching functions to use for each of the contacts in your mapWEIGHT2=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS3=1,2659the atoms involved in each of the contacts you wish to calculateSWITCH3={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4620974659919739}The switching functions to use for each of the contacts in your mapWEIGHT3=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS4=1,2660the atoms involved in each of the contacts you wish to calculateSWITCH4={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.517569363117218}The switching functions to use for each of the contacts in your mapWEIGHT4=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS5=5,2655the atoms involved in each of the contacts you wish to calculateSWITCH5={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5799629092216492}The switching functions to use for each of the contacts in your mapWEIGHT5=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS6=5,2658the atoms involved in each of the contacts you wish to calculateSWITCH6={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5540722012519836}The switching functions to use for each of the contacts in your mapWEIGHT6=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS7=5,2659the atoms involved in each of the contacts you wish to calculateSWITCH7={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5640904307365417}The switching functions to use for each of the contacts in your mapWEIGHT7=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS8=5,2660the atoms involved in each of the contacts you wish to calculateSWITCH8={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5676760077476501}The switching functions to use for each of the contacts in your mapWEIGHT8=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS9=16,52the atoms involved in each of the contacts you wish to calculateSWITCH9={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49136337637901306}The switching functions to use for each of the contacts in your mapWEIGHT9=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS10=16,54the atoms involved in each of the contacts you wish to calculateSWITCH10={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5910549759864807}The switching functions to use for each of the contacts in your mapWEIGHT10=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS11=16,56the atoms involved in each of the contacts you wish to calculateSWITCH11={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.56410813331604}The switching functions to use for each of the contacts in your mapWEIGHT11=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS12=16,62the atoms involved in each of the contacts you wish to calculateSWITCH12={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47472304105758667}The switching functions to use for each of the contacts in your mapWEIGHT12=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS13=16,65the atoms involved in each of the contacts you wish to calculateSWITCH13={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5234940052032471}The switching functions to use for each of the contacts in your mapWEIGHT13=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS14=16,2655the atoms involved in each of the contacts you wish to calculateSWITCH14={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5159001350402832}The switching functions to use for each of the contacts in your mapWEIGHT14=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS15=16,2658the atoms involved in each of the contacts you wish to calculateSWITCH15={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5091837048530579}The switching functions to use for each of the contacts in your mapWEIGHT15=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS16=16,2659the atoms involved in each of the contacts you wish to calculateSWITCH16={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5523567795753479}The switching functions to use for each of the contacts in your mapWEIGHT16=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS17=16,2660the atoms involved in each of the contacts you wish to calculateSWITCH17={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5052128434181213}The switching functions to use for each of the contacts in your mapWEIGHT17=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS18=17,52the atoms involved in each of the contacts you wish to calculateSWITCH18={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3881970942020416}The switching functions to use for each of the contacts in your mapWEIGHT18=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS19=17,54the atoms involved in each of the contacts you wish to calculateSWITCH19={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49285799264907837}The switching functions to use for each of the contacts in your mapWEIGHT19=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS20=17,56the atoms involved in each of the contacts you wish to calculateSWITCH20={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4862705171108246}The switching functions to use for each of the contacts in your mapWEIGHT20=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS21=17,62the atoms involved in each of the contacts you wish to calculateSWITCH21={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39949092268943787}The switching functions to use for each of the contacts in your mapWEIGHT21=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS22=17,65the atoms involved in each of the contacts you wish to calculateSWITCH22={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47690775990486145}The switching functions to use for each of the contacts in your mapWEIGHT22=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS23=17,2655the atoms involved in each of the contacts you wish to calculateSWITCH23={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.596199631690979}The switching functions to use for each of the contacts in your mapWEIGHT23=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS24=17,2660the atoms involved in each of the contacts you wish to calculateSWITCH24={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5953394174575806}The switching functions to use for each of the contacts in your mapWEIGHT24=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS25=18,2652the atoms involved in each of the contacts you wish to calculateSWITCH25={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4996258616447449}The switching functions to use for each of the contacts in your mapWEIGHT25=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS26=18,2655the atoms involved in each of the contacts you wish to calculateSWITCH26={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4003623127937317}The switching functions to use for each of the contacts in your mapWEIGHT26=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS27=18,2658the atoms involved in each of the contacts you wish to calculateSWITCH27={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3868371844291687}The switching functions to use for each of the contacts in your mapWEIGHT27=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS28=18,2659the atoms involved in each of the contacts you wish to calculateSWITCH28={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4444153308868408}The switching functions to use for each of the contacts in your mapWEIGHT28=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS29=18,2660the atoms involved in each of the contacts you wish to calculateSWITCH29={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37471455335617065}The switching functions to use for each of the contacts in your mapWEIGHT29=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS30=20,71the atoms involved in each of the contacts you wish to calculateSWITCH30={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.582779586315155}The switching functions to use for each of the contacts in your mapWEIGHT30=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS31=20,2599the atoms involved in each of the contacts you wish to calculateSWITCH31={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918015241622925}The switching functions to use for each of the contacts in your mapWEIGHT31=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS32=20,2600the atoms involved in each of the contacts you wish to calculateSWITCH32={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5393978357315063}The switching functions to use for each of the contacts in your mapWEIGHT32=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS33=20,2601the atoms involved in each of the contacts you wish to calculateSWITCH33={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.592608630657196}The switching functions to use for each of the contacts in your mapWEIGHT33=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS34=20,2603the atoms involved in each of the contacts you wish to calculateSWITCH34={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5306655764579773}The switching functions to use for each of the contacts in your mapWEIGHT34=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS35=20,2615the atoms involved in each of the contacts you wish to calculateSWITCH35={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5829184651374817}The switching functions to use for each of the contacts in your mapWEIGHT35=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS36=20,2616the atoms involved in each of the contacts you wish to calculateSWITCH36={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5276447534561157}The switching functions to use for each of the contacts in your mapWEIGHT36=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS37=20,2648the atoms involved in each of the contacts you wish to calculateSWITCH37={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5869088172912598}The switching functions to use for each of the contacts in your mapWEIGHT37=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS38=20,2650the atoms involved in each of the contacts you wish to calculateSWITCH38={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5724342465400696}The switching functions to use for each of the contacts in your mapWEIGHT38=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS39=20,2652the atoms involved in each of the contacts you wish to calculateSWITCH39={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44032374024391174}The switching functions to use for each of the contacts in your mapWEIGHT39=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS40=20,2655the atoms involved in each of the contacts you wish to calculateSWITCH40={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3831670582294464}The switching functions to use for each of the contacts in your mapWEIGHT40=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS41=20,2658the atoms involved in each of the contacts you wish to calculateSWITCH41={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.395224004983902}The switching functions to use for each of the contacts in your mapWEIGHT41=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS42=20,2659the atoms involved in each of the contacts you wish to calculateSWITCH42={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4856809675693512}The switching functions to use for each of the contacts in your mapWEIGHT42=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS43=20,2660the atoms involved in each of the contacts you wish to calculateSWITCH43={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3588007688522339}The switching functions to use for each of the contacts in your mapWEIGHT43=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS44=23,71the atoms involved in each of the contacts you wish to calculateSWITCH44={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4711315929889679}The switching functions to use for each of the contacts in your mapWEIGHT44=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS45=23,73the atoms involved in each of the contacts you wish to calculateSWITCH45={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5875456929206848}The switching functions to use for each of the contacts in your mapWEIGHT45=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS46=23,75the atoms involved in each of the contacts you wish to calculateSWITCH46={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5759522318840027}The switching functions to use for each of the contacts in your mapWEIGHT46=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS47=23,78the atoms involved in each of the contacts you wish to calculateSWITCH47={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.58194500207901}The switching functions to use for each of the contacts in your mapWEIGHT47=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS48=23,88the atoms involved in each of the contacts you wish to calculateSWITCH48={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5418717265129089}The switching functions to use for each of the contacts in your mapWEIGHT48=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS49=23,2603the atoms involved in each of the contacts you wish to calculateSWITCH49={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5772113800048828}The switching functions to use for each of the contacts in your mapWEIGHT49=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS50=23,2607the atoms involved in each of the contacts you wish to calculateSWITCH50={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5870833992958069}The switching functions to use for each of the contacts in your mapWEIGHT50=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS51=23,2616the atoms involved in each of the contacts you wish to calculateSWITCH51={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5591064095497131}The switching functions to use for each of the contacts in your mapWEIGHT51=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS52=23,2650the atoms involved in each of the contacts you wish to calculateSWITCH52={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5908621549606323}The switching functions to use for each of the contacts in your mapWEIGHT52=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS53=23,2652the atoms involved in each of the contacts you wish to calculateSWITCH53={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4422149062156677}The switching functions to use for each of the contacts in your mapWEIGHT53=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS54=23,2655the atoms involved in each of the contacts you wish to calculateSWITCH54={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4025965929031372}The switching functions to use for each of the contacts in your mapWEIGHT54=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS55=23,2658the atoms involved in each of the contacts you wish to calculateSWITCH55={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4659882187843323}The switching functions to use for each of the contacts in your mapWEIGHT55=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS56=23,2659the atoms involved in each of the contacts you wish to calculateSWITCH56={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5609714388847351}The switching functions to use for each of the contacts in your mapWEIGHT56=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS57=23,2660the atoms involved in each of the contacts you wish to calculateSWITCH57={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4569956362247467}The switching functions to use for each of the contacts in your mapWEIGHT57=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS58=24,71the atoms involved in each of the contacts you wish to calculateSWITCH58={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35121220350265503}The switching functions to use for each of the contacts in your mapWEIGHT58=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS59=24,73the atoms involved in each of the contacts you wish to calculateSWITCH59={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4714498519897461}The switching functions to use for each of the contacts in your mapWEIGHT59=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS60=24,75the atoms involved in each of the contacts you wish to calculateSWITCH60={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47410544753074646}The switching functions to use for each of the contacts in your mapWEIGHT60=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS61=24,78the atoms involved in each of the contacts you wish to calculateSWITCH61={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48543691635131836}The switching functions to use for each of the contacts in your mapWEIGHT61=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS62=24,79the atoms involved in each of the contacts you wish to calculateSWITCH62={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5698289275169373}The switching functions to use for each of the contacts in your mapWEIGHT62=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS63=24,86the atoms involved in each of the contacts you wish to calculateSWITCH63={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5378698706626892}The switching functions to use for each of the contacts in your mapWEIGHT63=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS64=24,88the atoms involved in each of the contacts you wish to calculateSWITCH64={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46801918745040894}The switching functions to use for each of the contacts in your mapWEIGHT64=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS65=24,90the atoms involved in each of the contacts you wish to calculateSWITCH65={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739772915840149}The switching functions to use for each of the contacts in your mapWEIGHT65=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS66=24,92the atoms involved in each of the contacts you wish to calculateSWITCH66={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5533579587936401}The switching functions to use for each of the contacts in your mapWEIGHT66=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS67=24,2603the atoms involved in each of the contacts you wish to calculateSWITCH67={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5438951849937439}The switching functions to use for each of the contacts in your mapWEIGHT67=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS68=24,2605the atoms involved in each of the contacts you wish to calculateSWITCH68={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5625699758529663}The switching functions to use for each of the contacts in your mapWEIGHT68=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS69=24,2607the atoms involved in each of the contacts you wish to calculateSWITCH69={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5122362971305847}The switching functions to use for each of the contacts in your mapWEIGHT69=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS70=24,2611the atoms involved in each of the contacts you wish to calculateSWITCH70={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5487740635871887}The switching functions to use for each of the contacts in your mapWEIGHT70=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS71=24,2616the atoms involved in each of the contacts you wish to calculateSWITCH71={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5546503663063049}The switching functions to use for each of the contacts in your mapWEIGHT71=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS72=24,2652the atoms involved in each of the contacts you wish to calculateSWITCH72={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4974685609340668}The switching functions to use for each of the contacts in your mapWEIGHT72=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS73=24,2655the atoms involved in each of the contacts you wish to calculateSWITCH73={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49047020077705383}The switching functions to use for each of the contacts in your mapWEIGHT73=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS74=24,2658the atoms involved in each of the contacts you wish to calculateSWITCH74={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619804859161377}The switching functions to use for each of the contacts in your mapWEIGHT74=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS75=24,2660the atoms involved in each of the contacts you wish to calculateSWITCH75={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.53935706615448}The switching functions to use for each of the contacts in your mapWEIGHT75=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS76=25,2650the atoms involved in each of the contacts you wish to calculateSWITCH76={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5907706618309021}The switching functions to use for each of the contacts in your mapWEIGHT76=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS77=25,2652the atoms involved in each of the contacts you wish to calculateSWITCH77={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4394928812980652}The switching functions to use for each of the contacts in your mapWEIGHT77=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS78=25,2655the atoms involved in each of the contacts you wish to calculateSWITCH78={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37627914547920227}The switching functions to use for each of the contacts in your mapWEIGHT78=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS79=25,2658the atoms involved in each of the contacts you wish to calculateSWITCH79={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4615766704082489}The switching functions to use for each of the contacts in your mapWEIGHT79=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS80=25,2659the atoms involved in each of the contacts you wish to calculateSWITCH80={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5402601361274719}The switching functions to use for each of the contacts in your mapWEIGHT80=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS81=25,2660the atoms involved in each of the contacts you wish to calculateSWITCH81={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4895886182785034}The switching functions to use for each of the contacts in your mapWEIGHT81=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS82=27,92the atoms involved in each of the contacts you wish to calculateSWITCH82={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5802853107452393}The switching functions to use for each of the contacts in your mapWEIGHT82=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS83=27,99the atoms involved in each of the contacts you wish to calculateSWITCH83={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5483183860778809}The switching functions to use for each of the contacts in your mapWEIGHT83=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS84=27,104the atoms involved in each of the contacts you wish to calculateSWITCH84={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.567409873008728}The switching functions to use for each of the contacts in your mapWEIGHT84=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS85=27,2652the atoms involved in each of the contacts you wish to calculateSWITCH85={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5050831437110901}The switching functions to use for each of the contacts in your mapWEIGHT85=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS86=27,2655the atoms involved in each of the contacts you wish to calculateSWITCH86={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4623299837112427}The switching functions to use for each of the contacts in your mapWEIGHT86=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS87=27,2658the atoms involved in each of the contacts you wish to calculateSWITCH87={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732050538063049}The switching functions to use for each of the contacts in your mapWEIGHT87=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS88=27,2734the atoms involved in each of the contacts you wish to calculateSWITCH88={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5859965682029724}The switching functions to use for each of the contacts in your mapWEIGHT88=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS89=29,99the atoms involved in each of the contacts you wish to calculateSWITCH89={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5778563618659973}The switching functions to use for each of the contacts in your mapWEIGHT89=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS90=29,104the atoms involved in each of the contacts you wish to calculateSWITCH90={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5355455279350281}The switching functions to use for each of the contacts in your mapWEIGHT90=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS91=29,2652the atoms involved in each of the contacts you wish to calculateSWITCH91={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5591564774513245}The switching functions to use for each of the contacts in your mapWEIGHT91=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS92=29,2655the atoms involved in each of the contacts you wish to calculateSWITCH92={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49339839816093445}The switching functions to use for each of the contacts in your mapWEIGHT92=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS93=29,2731the atoms involved in each of the contacts you wish to calculateSWITCH93={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5631207823753357}The switching functions to use for each of the contacts in your mapWEIGHT93=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS94=29,2734the atoms involved in each of the contacts you wish to calculateSWITCH94={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5182479619979858}The switching functions to use for each of the contacts in your mapWEIGHT94=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS95=29,2737the atoms involved in each of the contacts you wish to calculateSWITCH95={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.584810197353363}The switching functions to use for each of the contacts in your mapWEIGHT95=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS96=29,2740the atoms involved in each of the contacts you wish to calculateSWITCH96={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5456775426864624}The switching functions to use for each of the contacts in your mapWEIGHT96=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS97=32,104the atoms involved in each of the contacts you wish to calculateSWITCH97={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5988038182258606}The switching functions to use for each of the contacts in your mapWEIGHT97=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS98=32,2652the atoms involved in each of the contacts you wish to calculateSWITCH98={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269240736961365}The switching functions to use for each of the contacts in your mapWEIGHT98=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS99=32,2655the atoms involved in each of the contacts you wish to calculateSWITCH99={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4797280430793762}The switching functions to use for each of the contacts in your mapWEIGHT99=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS100=32,2728the atoms involved in each of the contacts you wish to calculateSWITCH100={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5602812170982361}The switching functions to use for each of the contacts in your mapWEIGHT100=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS101=32,2731the atoms involved in each of the contacts you wish to calculateSWITCH101={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4208301305770874}The switching functions to use for each of the contacts in your mapWEIGHT101=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS102=32,2734the atoms involved in each of the contacts you wish to calculateSWITCH102={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36700138449668884}The switching functions to use for each of the contacts in your mapWEIGHT102=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS103=32,2737the atoms involved in each of the contacts you wish to calculateSWITCH103={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4367218613624573}The switching functions to use for each of the contacts in your mapWEIGHT103=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS104=32,2740the atoms involved in each of the contacts you wish to calculateSWITCH104={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4112578332424164}The switching functions to use for each of the contacts in your mapWEIGHT104=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS105=33,2650the atoms involved in each of the contacts you wish to calculateSWITCH105={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5385499000549316}The switching functions to use for each of the contacts in your mapWEIGHT105=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS106=33,2652the atoms involved in each of the contacts you wish to calculateSWITCH106={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42145463824272156}The switching functions to use for each of the contacts in your mapWEIGHT106=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS107=33,2655the atoms involved in each of the contacts you wish to calculateSWITCH107={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39850470423698425}The switching functions to use for each of the contacts in your mapWEIGHT107=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS108=33,2658the atoms involved in each of the contacts you wish to calculateSWITCH108={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5424988269805908}The switching functions to use for each of the contacts in your mapWEIGHT108=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS109=33,2663the atoms involved in each of the contacts you wish to calculateSWITCH109={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5490728616714478}The switching functions to use for each of the contacts in your mapWEIGHT109=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS110=33,2664the atoms involved in each of the contacts you wish to calculateSWITCH110={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.523310661315918}The switching functions to use for each of the contacts in your mapWEIGHT110=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS111=33,2726the atoms involved in each of the contacts you wish to calculateSWITCH111={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5870476961135864}The switching functions to use for each of the contacts in your mapWEIGHT111=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS112=33,2728the atoms involved in each of the contacts you wish to calculateSWITCH112={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4671595096588135}The switching functions to use for each of the contacts in your mapWEIGHT112=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS113=33,2731the atoms involved in each of the contacts you wish to calculateSWITCH113={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33478501439094543}The switching functions to use for each of the contacts in your mapWEIGHT113=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS114=33,2734the atoms involved in each of the contacts you wish to calculateSWITCH114={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31778135895729065}The switching functions to use for each of the contacts in your mapWEIGHT114=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS115=33,2737the atoms involved in each of the contacts you wish to calculateSWITCH115={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41935545206069946}The switching functions to use for each of the contacts in your mapWEIGHT115=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS116=33,2740the atoms involved in each of the contacts you wish to calculateSWITCH116={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4368020296096802}The switching functions to use for each of the contacts in your mapWEIGHT116=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS117=34,104the atoms involved in each of the contacts you wish to calculateSWITCH117={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5802050828933716}The switching functions to use for each of the contacts in your mapWEIGHT117=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS118=34,2655the atoms involved in each of the contacts you wish to calculateSWITCH118={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5830342769622803}The switching functions to use for each of the contacts in your mapWEIGHT118=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS119=34,2728the atoms involved in each of the contacts you wish to calculateSWITCH119={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.565544843673706}The switching functions to use for each of the contacts in your mapWEIGHT119=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS120=34,2731the atoms involved in each of the contacts you wish to calculateSWITCH120={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4263167977333069}The switching functions to use for each of the contacts in your mapWEIGHT120=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS121=34,2734the atoms involved in each of the contacts you wish to calculateSWITCH121={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3359970152378082}The switching functions to use for each of the contacts in your mapWEIGHT121=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS122=34,2737the atoms involved in each of the contacts you wish to calculateSWITCH122={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3691774606704712}The switching functions to use for each of the contacts in your mapWEIGHT122=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS123=34,2740the atoms involved in each of the contacts you wish to calculateSWITCH123={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3096368908882141}The switching functions to use for each of the contacts in your mapWEIGHT123=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS124=35,92the atoms involved in each of the contacts you wish to calculateSWITCH124={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4642133116722107}The switching functions to use for each of the contacts in your mapWEIGHT124=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS125=35,94the atoms involved in each of the contacts you wish to calculateSWITCH125={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488979816436768}The switching functions to use for each of the contacts in your mapWEIGHT125=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS126=35,96the atoms involved in each of the contacts you wish to calculateSWITCH126={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4989769458770752}The switching functions to use for each of the contacts in your mapWEIGHT126=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS127=35,99the atoms involved in each of the contacts you wish to calculateSWITCH127={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4252552092075348}The switching functions to use for each of the contacts in your mapWEIGHT127=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS128=35,102the atoms involved in each of the contacts you wish to calculateSWITCH128={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4974474608898163}The switching functions to use for each of the contacts in your mapWEIGHT128=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS129=35,104the atoms involved in each of the contacts you wish to calculateSWITCH129={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4686843156814575}The switching functions to use for each of the contacts in your mapWEIGHT129=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS130=36,92the atoms involved in each of the contacts you wish to calculateSWITCH130={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3500528633594513}The switching functions to use for each of the contacts in your mapWEIGHT130=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS131=36,94the atoms involved in each of the contacts you wish to calculateSWITCH131={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4358004331588745}The switching functions to use for each of the contacts in your mapWEIGHT131=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS132=36,96the atoms involved in each of the contacts you wish to calculateSWITCH132={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40144363045692444}The switching functions to use for each of the contacts in your mapWEIGHT132=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS133=36,99the atoms involved in each of the contacts you wish to calculateSWITCH133={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33044666051864624}The switching functions to use for each of the contacts in your mapWEIGHT133=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS134=36,102the atoms involved in each of the contacts you wish to calculateSWITCH134={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4292656183242798}The switching functions to use for each of the contacts in your mapWEIGHT134=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS135=36,103the atoms involved in each of the contacts you wish to calculateSWITCH135={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5437251329421997}The switching functions to use for each of the contacts in your mapWEIGHT135=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS136=36,104the atoms involved in each of the contacts you wish to calculateSWITCH136={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.425189346075058}The switching functions to use for each of the contacts in your mapWEIGHT136=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS137=36,105the atoms involved in each of the contacts you wish to calculateSWITCH137={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5624597668647766}The switching functions to use for each of the contacts in your mapWEIGHT137=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS138=36,107the atoms involved in each of the contacts you wish to calculateSWITCH138={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.575584888458252}The switching functions to use for each of the contacts in your mapWEIGHT138=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS139=39,107the atoms involved in each of the contacts you wish to calculateSWITCH139={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5676847100257874}The switching functions to use for each of the contacts in your mapWEIGHT139=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS140=39,116the atoms involved in each of the contacts you wish to calculateSWITCH140={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5261891484260559}The switching functions to use for each of the contacts in your mapWEIGHT140=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS141=41,116the atoms involved in each of the contacts you wish to calculateSWITCH141={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5332269668579102}The switching functions to use for each of the contacts in your mapWEIGHT141=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS142=44,116the atoms involved in each of the contacts you wish to calculateSWITCH142={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5894896388053894}The switching functions to use for each of the contacts in your mapWEIGHT142=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS143=50,107the atoms involved in each of the contacts you wish to calculateSWITCH143={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4583917260169983}The switching functions to use for each of the contacts in your mapWEIGHT143=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS144=50,109the atoms involved in each of the contacts you wish to calculateSWITCH144={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.56342613697052}The switching functions to use for each of the contacts in your mapWEIGHT144=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS145=50,111the atoms involved in each of the contacts you wish to calculateSWITCH145={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5460485219955444}The switching functions to use for each of the contacts in your mapWEIGHT145=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS146=50,114the atoms involved in each of the contacts you wish to calculateSWITCH146={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5445419549942017}The switching functions to use for each of the contacts in your mapWEIGHT146=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS147=50,116the atoms involved in each of the contacts you wish to calculateSWITCH147={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4548252820968628}The switching functions to use for each of the contacts in your mapWEIGHT147=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS148=50,119the atoms involved in each of the contacts you wish to calculateSWITCH148={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5761700868606567}The switching functions to use for each of the contacts in your mapWEIGHT148=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS149=50,2467the atoms involved in each of the contacts you wish to calculateSWITCH149={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5215869545936584}The switching functions to use for each of the contacts in your mapWEIGHT149=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS150=50,2469the atoms involved in each of the contacts you wish to calculateSWITCH150={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4756511151790619}The switching functions to use for each of the contacts in your mapWEIGHT150=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS151=50,2471the atoms involved in each of the contacts you wish to calculateSWITCH151={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5373173356056213}The switching functions to use for each of the contacts in your mapWEIGHT151=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS152=51,107the atoms involved in each of the contacts you wish to calculateSWITCH152={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.351203590631485}The switching functions to use for each of the contacts in your mapWEIGHT152=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS153=51,109the atoms involved in each of the contacts you wish to calculateSWITCH153={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4492549002170563}The switching functions to use for each of the contacts in your mapWEIGHT153=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS154=51,111the atoms involved in each of the contacts you wish to calculateSWITCH154={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42769378423690796}The switching functions to use for each of the contacts in your mapWEIGHT154=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS155=51,114the atoms involved in each of the contacts you wish to calculateSWITCH155={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42310866713523865}The switching functions to use for each of the contacts in your mapWEIGHT155=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS156=51,115the atoms involved in each of the contacts you wish to calculateSWITCH156={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5373955368995667}The switching functions to use for each of the contacts in your mapWEIGHT156=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS157=51,116the atoms involved in each of the contacts you wish to calculateSWITCH157={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3392948508262634}The switching functions to use for each of the contacts in your mapWEIGHT157=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS158=51,117the atoms involved in each of the contacts you wish to calculateSWITCH158={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.532347559928894}The switching functions to use for each of the contacts in your mapWEIGHT158=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS159=51,119the atoms involved in each of the contacts you wish to calculateSWITCH159={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4923524558544159}The switching functions to use for each of the contacts in your mapWEIGHT159=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS160=51,123the atoms involved in each of the contacts you wish to calculateSWITCH160={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5943962931632996}The switching functions to use for each of the contacts in your mapWEIGHT160=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS161=51,2465the atoms involved in each of the contacts you wish to calculateSWITCH161={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5987828969955444}The switching functions to use for each of the contacts in your mapWEIGHT161=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS162=51,2467the atoms involved in each of the contacts you wish to calculateSWITCH162={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4938642978668213}The switching functions to use for each of the contacts in your mapWEIGHT162=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS163=51,2469the atoms involved in each of the contacts you wish to calculateSWITCH163={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4193268120288849}The switching functions to use for each of the contacts in your mapWEIGHT163=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS164=51,2471the atoms involved in each of the contacts you wish to calculateSWITCH164={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.472708135843277}The switching functions to use for each of the contacts in your mapWEIGHT164=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS165=51,2473the atoms involved in each of the contacts you wish to calculateSWITCH165={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5826576352119446}The switching functions to use for each of the contacts in your mapWEIGHT165=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS166=52,119the atoms involved in each of the contacts you wish to calculateSWITCH166={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5727643370628357}The switching functions to use for each of the contacts in your mapWEIGHT166=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS167=52,123the atoms involved in each of the contacts you wish to calculateSWITCH167={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5799266695976257}The switching functions to use for each of the contacts in your mapWEIGHT167=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS168=52,2465the atoms involved in each of the contacts you wish to calculateSWITCH168={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5586277842521667}The switching functions to use for each of the contacts in your mapWEIGHT168=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS169=52,2467the atoms involved in each of the contacts you wish to calculateSWITCH169={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48920953273773193}The switching functions to use for each of the contacts in your mapWEIGHT169=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS170=52,2469the atoms involved in each of the contacts you wish to calculateSWITCH170={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46481287479400635}The switching functions to use for each of the contacts in your mapWEIGHT170=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS171=52,2471the atoms involved in each of the contacts you wish to calculateSWITCH171={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5161675810813904}The switching functions to use for each of the contacts in your mapWEIGHT171=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS172=52,2473the atoms involved in each of the contacts you wish to calculateSWITCH172={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5834671854972839}The switching functions to use for each of the contacts in your mapWEIGHT172=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS173=54,119the atoms involved in each of the contacts you wish to calculateSWITCH173={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46885713934898376}The switching functions to use for each of the contacts in your mapWEIGHT173=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS174=54,121the atoms involved in each of the contacts you wish to calculateSWITCH174={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5248894691467285}The switching functions to use for each of the contacts in your mapWEIGHT174=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS175=54,123the atoms involved in each of the contacts you wish to calculateSWITCH175={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44589123129844666}The switching functions to use for each of the contacts in your mapWEIGHT175=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS176=54,126the atoms involved in each of the contacts you wish to calculateSWITCH176={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5581764578819275}The switching functions to use for each of the contacts in your mapWEIGHT176=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS177=54,2461the atoms involved in each of the contacts you wish to calculateSWITCH177={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.582439661026001}The switching functions to use for each of the contacts in your mapWEIGHT177=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS178=54,2464the atoms involved in each of the contacts you wish to calculateSWITCH178={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47980305552482605}The switching functions to use for each of the contacts in your mapWEIGHT178=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS179=54,2465the atoms involved in each of the contacts you wish to calculateSWITCH179={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4580884277820587}The switching functions to use for each of the contacts in your mapWEIGHT179=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS180=54,2467the atoms involved in each of the contacts you wish to calculateSWITCH180={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41009020805358887}The switching functions to use for each of the contacts in your mapWEIGHT180=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS181=54,2469the atoms involved in each of the contacts you wish to calculateSWITCH181={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3808766007423401}The switching functions to use for each of the contacts in your mapWEIGHT181=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS182=54,2471the atoms involved in each of the contacts you wish to calculateSWITCH182={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40514808893203735}The switching functions to use for each of the contacts in your mapWEIGHT182=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS183=54,2473the atoms involved in each of the contacts you wish to calculateSWITCH183={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45462289452552795}The switching functions to use for each of the contacts in your mapWEIGHT183=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS184=54,2611the atoms involved in each of the contacts you wish to calculateSWITCH184={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550179481506348}The switching functions to use for each of the contacts in your mapWEIGHT184=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS185=56,119the atoms involved in each of the contacts you wish to calculateSWITCH185={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5571544170379639}The switching functions to use for each of the contacts in your mapWEIGHT185=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS186=56,121the atoms involved in each of the contacts you wish to calculateSWITCH186={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5771732926368713}The switching functions to use for each of the contacts in your mapWEIGHT186=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS187=56,123the atoms involved in each of the contacts you wish to calculateSWITCH187={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.465721994638443}The switching functions to use for each of the contacts in your mapWEIGHT187=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS188=56,126the atoms involved in each of the contacts you wish to calculateSWITCH188={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5412105917930603}The switching functions to use for each of the contacts in your mapWEIGHT188=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS189=56,2461the atoms involved in each of the contacts you wish to calculateSWITCH189={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5277404189109802}The switching functions to use for each of the contacts in your mapWEIGHT189=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS190=56,2464the atoms involved in each of the contacts you wish to calculateSWITCH190={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4581364095211029}The switching functions to use for each of the contacts in your mapWEIGHT190=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS191=56,2465the atoms involved in each of the contacts you wish to calculateSWITCH191={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4401760995388031}The switching functions to use for each of the contacts in your mapWEIGHT191=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS192=56,2467the atoms involved in each of the contacts you wish to calculateSWITCH192={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43476659059524536}The switching functions to use for each of the contacts in your mapWEIGHT192=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS193=56,2469the atoms involved in each of the contacts you wish to calculateSWITCH193={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4461759626865387}The switching functions to use for each of the contacts in your mapWEIGHT193=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS194=56,2471the atoms involved in each of the contacts you wish to calculateSWITCH194={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46275800466537476}The switching functions to use for each of the contacts in your mapWEIGHT194=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS195=56,2473the atoms involved in each of the contacts you wish to calculateSWITCH195={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4685274660587311}The switching functions to use for each of the contacts in your mapWEIGHT195=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS196=56,2538the atoms involved in each of the contacts you wish to calculateSWITCH196={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5897083282470703}The switching functions to use for each of the contacts in your mapWEIGHT196=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS197=56,2544the atoms involved in each of the contacts you wish to calculateSWITCH197={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5949806571006775}The switching functions to use for each of the contacts in your mapWEIGHT197=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS198=56,2545the atoms involved in each of the contacts you wish to calculateSWITCH198={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5031113028526306}The switching functions to use for each of the contacts in your mapWEIGHT198=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS199=56,2603the atoms involved in each of the contacts you wish to calculateSWITCH199={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5418763160705566}The switching functions to use for each of the contacts in your mapWEIGHT199=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS200=56,2605the atoms involved in each of the contacts you wish to calculateSWITCH200={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5052533745765686}The switching functions to use for each of the contacts in your mapWEIGHT200=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS201=56,2607the atoms involved in each of the contacts you wish to calculateSWITCH201={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49276968836784363}The switching functions to use for each of the contacts in your mapWEIGHT201=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS202=56,2611the atoms involved in each of the contacts you wish to calculateSWITCH202={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4140470623970032}The switching functions to use for each of the contacts in your mapWEIGHT202=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS203=58,119the atoms involved in each of the contacts you wish to calculateSWITCH203={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5058459043502808}The switching functions to use for each of the contacts in your mapWEIGHT203=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS204=58,121the atoms involved in each of the contacts you wish to calculateSWITCH204={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49054867029190063}The switching functions to use for each of the contacts in your mapWEIGHT204=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS205=58,123the atoms involved in each of the contacts you wish to calculateSWITCH205={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36446672677993774}The switching functions to use for each of the contacts in your mapWEIGHT205=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS206=58,126the atoms involved in each of the contacts you wish to calculateSWITCH206={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41433554887771606}The switching functions to use for each of the contacts in your mapWEIGHT206=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS207=58,128the atoms involved in each of the contacts you wish to calculateSWITCH207={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.527395486831665}The switching functions to use for each of the contacts in your mapWEIGHT207=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS208=58,132the atoms involved in each of the contacts you wish to calculateSWITCH208={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5016961097717285}The switching functions to use for each of the contacts in your mapWEIGHT208=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS209=58,2459the atoms involved in each of the contacts you wish to calculateSWITCH209={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5468034744262695}The switching functions to use for each of the contacts in your mapWEIGHT209=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS210=58,2461the atoms involved in each of the contacts you wish to calculateSWITCH210={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4069041609764099}The switching functions to use for each of the contacts in your mapWEIGHT210=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS211=58,2464the atoms involved in each of the contacts you wish to calculateSWITCH211={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36324644088745117}The switching functions to use for each of the contacts in your mapWEIGHT211=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS212=58,2465the atoms involved in each of the contacts you wish to calculateSWITCH212={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3867790102958679}The switching functions to use for each of the contacts in your mapWEIGHT212=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS213=58,2467the atoms involved in each of the contacts you wish to calculateSWITCH213={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42064356803894043}The switching functions to use for each of the contacts in your mapWEIGHT213=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS214=58,2469the atoms involved in each of the contacts you wish to calculateSWITCH214={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43141627311706543}The switching functions to use for each of the contacts in your mapWEIGHT214=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS215=58,2471the atoms involved in each of the contacts you wish to calculateSWITCH215={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40966570377349854}The switching functions to use for each of the contacts in your mapWEIGHT215=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS216=58,2473the atoms involved in each of the contacts you wish to calculateSWITCH216={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3751066327095032}The switching functions to use for each of the contacts in your mapWEIGHT216=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS217=58,2476the atoms involved in each of the contacts you wish to calculateSWITCH217={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5798593759536743}The switching functions to use for each of the contacts in your mapWEIGHT217=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS218=58,2536the atoms involved in each of the contacts you wish to calculateSWITCH218={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5799698233604431}The switching functions to use for each of the contacts in your mapWEIGHT218=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS219=58,2538the atoms involved in each of the contacts you wish to calculateSWITCH219={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5223801136016846}The switching functions to use for each of the contacts in your mapWEIGHT219=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS220=58,2541the atoms involved in each of the contacts you wish to calculateSWITCH220={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825066566467285}The switching functions to use for each of the contacts in your mapWEIGHT220=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS221=58,2544the atoms involved in each of the contacts you wish to calculateSWITCH221={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5131286382675171}The switching functions to use for each of the contacts in your mapWEIGHT221=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS222=58,2545the atoms involved in each of the contacts you wish to calculateSWITCH222={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43519654870033264}The switching functions to use for each of the contacts in your mapWEIGHT222=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS223=58,2546the atoms involved in each of the contacts you wish to calculateSWITCH223={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5814653635025024}The switching functions to use for each of the contacts in your mapWEIGHT223=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS224=58,2548the atoms involved in each of the contacts you wish to calculateSWITCH224={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5824714303016663}The switching functions to use for each of the contacts in your mapWEIGHT224=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS225=58,2559the atoms involved in each of the contacts you wish to calculateSWITCH225={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5425218343734741}The switching functions to use for each of the contacts in your mapWEIGHT225=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS226=58,2601the atoms involved in each of the contacts you wish to calculateSWITCH226={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5872052311897278}The switching functions to use for each of the contacts in your mapWEIGHT226=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS227=58,2603the atoms involved in each of the contacts you wish to calculateSWITCH227={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5295969843864441}The switching functions to use for each of the contacts in your mapWEIGHT227=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS228=58,2605the atoms involved in each of the contacts you wish to calculateSWITCH228={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.458198606967926}The switching functions to use for each of the contacts in your mapWEIGHT228=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS229=58,2607the atoms involved in each of the contacts you wish to calculateSWITCH229={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46102166175842285}The switching functions to use for each of the contacts in your mapWEIGHT229=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS230=58,2611the atoms involved in each of the contacts you wish to calculateSWITCH230={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3391665816307068}The switching functions to use for each of the contacts in your mapWEIGHT230=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS231=62,123the atoms involved in each of the contacts you wish to calculateSWITCH231={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5930843353271484}The switching functions to use for each of the contacts in your mapWEIGHT231=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS232=62,2461the atoms involved in each of the contacts you wish to calculateSWITCH232={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5372951030731201}The switching functions to use for each of the contacts in your mapWEIGHT232=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS233=62,2464the atoms involved in each of the contacts you wish to calculateSWITCH233={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4698350727558136}The switching functions to use for each of the contacts in your mapWEIGHT233=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS234=62,2465the atoms involved in each of the contacts you wish to calculateSWITCH234={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41139885783195496}The switching functions to use for each of the contacts in your mapWEIGHT234=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS235=62,2467the atoms involved in each of the contacts you wish to calculateSWITCH235={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4066939949989319}The switching functions to use for each of the contacts in your mapWEIGHT235=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS236=62,2469the atoms involved in each of the contacts you wish to calculateSWITCH236={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4599880278110504}The switching functions to use for each of the contacts in your mapWEIGHT236=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS237=62,2471the atoms involved in each of the contacts you wish to calculateSWITCH237={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5118290185928345}The switching functions to use for each of the contacts in your mapWEIGHT237=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS238=62,2473the atoms involved in each of the contacts you wish to calculateSWITCH238={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5162479877471924}The switching functions to use for each of the contacts in your mapWEIGHT238=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS239=62,2536the atoms involved in each of the contacts you wish to calculateSWITCH239={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5698596835136414}The switching functions to use for each of the contacts in your mapWEIGHT239=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS240=62,2538the atoms involved in each of the contacts you wish to calculateSWITCH240={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5144258737564087}The switching functions to use for each of the contacts in your mapWEIGHT240=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS241=62,2541the atoms involved in each of the contacts you wish to calculateSWITCH241={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5126606822013855}The switching functions to use for each of the contacts in your mapWEIGHT241=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS242=62,2542the atoms involved in each of the contacts you wish to calculateSWITCH242={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5366646647453308}The switching functions to use for each of the contacts in your mapWEIGHT242=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS243=62,2543the atoms involved in each of the contacts you wish to calculateSWITCH243={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5333160161972046}The switching functions to use for each of the contacts in your mapWEIGHT243=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS244=62,2544the atoms involved in each of the contacts you wish to calculateSWITCH244={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.549654483795166}The switching functions to use for each of the contacts in your mapWEIGHT244=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS245=62,2545the atoms involved in each of the contacts you wish to calculateSWITCH245={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46315982937812805}The switching functions to use for each of the contacts in your mapWEIGHT245=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS246=62,2601the atoms involved in each of the contacts you wish to calculateSWITCH246={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.598014235496521}The switching functions to use for each of the contacts in your mapWEIGHT246=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS247=62,2603the atoms involved in each of the contacts you wish to calculateSWITCH247={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5578117966651917}The switching functions to use for each of the contacts in your mapWEIGHT247=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS248=62,2605the atoms involved in each of the contacts you wish to calculateSWITCH248={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5557886362075806}The switching functions to use for each of the contacts in your mapWEIGHT248=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS249=62,2607the atoms involved in each of the contacts you wish to calculateSWITCH249={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5759896039962769}The switching functions to use for each of the contacts in your mapWEIGHT249=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS250=62,2611the atoms involved in each of the contacts you wish to calculateSWITCH250={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45893463492393494}The switching functions to use for each of the contacts in your mapWEIGHT250=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS251=65,2461the atoms involved in each of the contacts you wish to calculateSWITCH251={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.514797031879425}The switching functions to use for each of the contacts in your mapWEIGHT251=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS252=65,2464the atoms involved in each of the contacts you wish to calculateSWITCH252={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4881341755390167}The switching functions to use for each of the contacts in your mapWEIGHT252=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS253=65,2465the atoms involved in each of the contacts you wish to calculateSWITCH253={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4367527961730957}The switching functions to use for each of the contacts in your mapWEIGHT253=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS254=65,2467the atoms involved in each of the contacts you wish to calculateSWITCH254={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47396835684776306}The switching functions to use for each of the contacts in your mapWEIGHT254=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS255=65,2469the atoms involved in each of the contacts you wish to calculateSWITCH255={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5524011254310608}The switching functions to use for each of the contacts in your mapWEIGHT255=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS256=65,2471the atoms involved in each of the contacts you wish to calculateSWITCH256={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5931483507156372}The switching functions to use for each of the contacts in your mapWEIGHT256=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS257=65,2473the atoms involved in each of the contacts you wish to calculateSWITCH257={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5642286539077759}The switching functions to use for each of the contacts in your mapWEIGHT257=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS258=65,2534the atoms involved in each of the contacts you wish to calculateSWITCH258={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5855545401573181}The switching functions to use for each of the contacts in your mapWEIGHT258=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS259=65,2536the atoms involved in each of the contacts you wish to calculateSWITCH259={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4398113191127777}The switching functions to use for each of the contacts in your mapWEIGHT259=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS260=65,2538the atoms involved in each of the contacts you wish to calculateSWITCH260={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4140555262565613}The switching functions to use for each of the contacts in your mapWEIGHT260=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS261=65,2541the atoms involved in each of the contacts you wish to calculateSWITCH261={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42745405435562134}The switching functions to use for each of the contacts in your mapWEIGHT261=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS262=65,2542the atoms involved in each of the contacts you wish to calculateSWITCH262={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4373202323913574}The switching functions to use for each of the contacts in your mapWEIGHT262=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS263=65,2543the atoms involved in each of the contacts you wish to calculateSWITCH263={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48121926188468933}The switching functions to use for each of the contacts in your mapWEIGHT263=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS264=65,2544the atoms involved in each of the contacts you wish to calculateSWITCH264={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4164300560951233}The switching functions to use for each of the contacts in your mapWEIGHT264=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS265=65,2545the atoms involved in each of the contacts you wish to calculateSWITCH265={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3261701762676239}The switching functions to use for each of the contacts in your mapWEIGHT265=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS266=65,2546the atoms involved in each of the contacts you wish to calculateSWITCH266={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.53398597240448}The switching functions to use for each of the contacts in your mapWEIGHT266=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS267=65,2548the atoms involved in each of the contacts you wish to calculateSWITCH267={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825890302658081}The switching functions to use for each of the contacts in your mapWEIGHT267=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS268=65,2564the atoms involved in each of the contacts you wish to calculateSWITCH268={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5870212316513062}The switching functions to use for each of the contacts in your mapWEIGHT268=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS269=65,2586the atoms involved in each of the contacts you wish to calculateSWITCH269={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5915479063987732}The switching functions to use for each of the contacts in your mapWEIGHT269=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS270=65,2588the atoms involved in each of the contacts you wish to calculateSWITCH270={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5352625846862793}The switching functions to use for each of the contacts in your mapWEIGHT270=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS271=65,2599the atoms involved in each of the contacts you wish to calculateSWITCH271={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5282433032989502}The switching functions to use for each of the contacts in your mapWEIGHT271=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS272=65,2600the atoms involved in each of the contacts you wish to calculateSWITCH272={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.564246416091919}The switching functions to use for each of the contacts in your mapWEIGHT272=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS273=65,2601the atoms involved in each of the contacts you wish to calculateSWITCH273={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48008018732070923}The switching functions to use for each of the contacts in your mapWEIGHT273=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS274=65,2603the atoms involved in each of the contacts you wish to calculateSWITCH274={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47031688690185547}The switching functions to use for each of the contacts in your mapWEIGHT274=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS275=65,2605the atoms involved in each of the contacts you wish to calculateSWITCH275={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4844264090061188}The switching functions to use for each of the contacts in your mapWEIGHT275=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS276=65,2607the atoms involved in each of the contacts you wish to calculateSWITCH276={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5429861545562744}The switching functions to use for each of the contacts in your mapWEIGHT276=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS277=65,2611the atoms involved in each of the contacts you wish to calculateSWITCH277={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38192272186279297}The switching functions to use for each of the contacts in your mapWEIGHT277=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS278=69,119the atoms involved in each of the contacts you wish to calculateSWITCH278={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37284448742866516}The switching functions to use for each of the contacts in your mapWEIGHT278=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS279=69,121the atoms involved in each of the contacts you wish to calculateSWITCH279={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4268149137496948}The switching functions to use for each of the contacts in your mapWEIGHT279=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS280=69,123the atoms involved in each of the contacts you wish to calculateSWITCH280={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3519900143146515}The switching functions to use for each of the contacts in your mapWEIGHT280=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS281=69,126the atoms involved in each of the contacts you wish to calculateSWITCH281={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4733909070491791}The switching functions to use for each of the contacts in your mapWEIGHT281=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS282=69,128the atoms involved in each of the contacts you wish to calculateSWITCH282={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5413861274719238}The switching functions to use for each of the contacts in your mapWEIGHT282=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS283=69,132the atoms involved in each of the contacts you wish to calculateSWITCH283={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5894725918769836}The switching functions to use for each of the contacts in your mapWEIGHT283=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS284=69,136the atoms involved in each of the contacts you wish to calculateSWITCH284={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5276097059249878}The switching functions to use for each of the contacts in your mapWEIGHT284=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS285=69,138the atoms involved in each of the contacts you wish to calculateSWITCH285={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5249733328819275}The switching functions to use for each of the contacts in your mapWEIGHT285=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS286=69,2464the atoms involved in each of the contacts you wish to calculateSWITCH286={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269506573677063}The switching functions to use for each of the contacts in your mapWEIGHT286=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS287=69,2465the atoms involved in each of the contacts you wish to calculateSWITCH287={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5415283441543579}The switching functions to use for each of the contacts in your mapWEIGHT287=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS288=69,2467the atoms involved in each of the contacts you wish to calculateSWITCH288={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5013920068740845}The switching functions to use for each of the contacts in your mapWEIGHT288=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS289=69,2469the atoms involved in each of the contacts you wish to calculateSWITCH289={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43850767612457275}The switching functions to use for each of the contacts in your mapWEIGHT289=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS290=69,2471the atoms involved in each of the contacts you wish to calculateSWITCH290={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4189164340496063}The switching functions to use for each of the contacts in your mapWEIGHT290=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS291=69,2473the atoms involved in each of the contacts you wish to calculateSWITCH291={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4670652747154236}The switching functions to use for each of the contacts in your mapWEIGHT291=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS292=69,2607the atoms involved in each of the contacts you wish to calculateSWITCH292={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5837138891220093}The switching functions to use for each of the contacts in your mapWEIGHT292=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS293=69,2611the atoms involved in each of the contacts you wish to calculateSWITCH293={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5749373435974121}The switching functions to use for each of the contacts in your mapWEIGHT293=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS294=70,119the atoms involved in each of the contacts you wish to calculateSWITCH294={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.251882940530777}The switching functions to use for each of the contacts in your mapWEIGHT294=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS295=70,121the atoms involved in each of the contacts you wish to calculateSWITCH295={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3234733045101166}The switching functions to use for each of the contacts in your mapWEIGHT295=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS296=70,123the atoms involved in each of the contacts you wish to calculateSWITCH296={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2846067249774933}The switching functions to use for each of the contacts in your mapWEIGHT296=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS297=70,126the atoms involved in each of the contacts you wish to calculateSWITCH297={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4275265634059906}The switching functions to use for each of the contacts in your mapWEIGHT297=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS298=70,128the atoms involved in each of the contacts you wish to calculateSWITCH298={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.496599406003952}The switching functions to use for each of the contacts in your mapWEIGHT298=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS299=70,132the atoms involved in each of the contacts you wish to calculateSWITCH299={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5297338962554932}The switching functions to use for each of the contacts in your mapWEIGHT299=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS300=70,136the atoms involved in each of the contacts you wish to calculateSWITCH300={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42718616127967834}The switching functions to use for each of the contacts in your mapWEIGHT300=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS301=70,137the atoms involved in each of the contacts you wish to calculateSWITCH301={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5396026372909546}The switching functions to use for each of the contacts in your mapWEIGHT301=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS302=70,138the atoms involved in each of the contacts you wish to calculateSWITCH302={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42529165744781494}The switching functions to use for each of the contacts in your mapWEIGHT302=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS303=70,140the atoms involved in each of the contacts you wish to calculateSWITCH303={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.558323323726654}The switching functions to use for each of the contacts in your mapWEIGHT303=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS304=70,142the atoms involved in each of the contacts you wish to calculateSWITCH304={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.590265154838562}The switching functions to use for each of the contacts in your mapWEIGHT304=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS305=70,154the atoms involved in each of the contacts you wish to calculateSWITCH305={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5679463148117065}The switching functions to use for each of the contacts in your mapWEIGHT305=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS306=70,2464the atoms involved in each of the contacts you wish to calculateSWITCH306={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5006445646286011}The switching functions to use for each of the contacts in your mapWEIGHT306=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS307=70,2465the atoms involved in each of the contacts you wish to calculateSWITCH307={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.532699704170227}The switching functions to use for each of the contacts in your mapWEIGHT307=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS308=70,2467the atoms involved in each of the contacts you wish to calculateSWITCH308={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4880101978778839}The switching functions to use for each of the contacts in your mapWEIGHT308=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS309=70,2469the atoms involved in each of the contacts you wish to calculateSWITCH309={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39752355217933655}The switching functions to use for each of the contacts in your mapWEIGHT309=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS310=70,2471the atoms involved in each of the contacts you wish to calculateSWITCH310={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35187920928001404}The switching functions to use for each of the contacts in your mapWEIGHT310=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS311=70,2473the atoms involved in each of the contacts you wish to calculateSWITCH311={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4124245047569275}The switching functions to use for each of the contacts in your mapWEIGHT311=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS312=71,138the atoms involved in each of the contacts you wish to calculateSWITCH312={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5477636456489563}The switching functions to use for each of the contacts in your mapWEIGHT312=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS313=71,2469the atoms involved in each of the contacts you wish to calculateSWITCH313={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5695550441741943}The switching functions to use for each of the contacts in your mapWEIGHT313=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS314=71,2471the atoms involved in each of the contacts you wish to calculateSWITCH314={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5449045896530151}The switching functions to use for each of the contacts in your mapWEIGHT314=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS315=71,2473the atoms involved in each of the contacts you wish to calculateSWITCH315={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5797499418258667}The switching functions to use for each of the contacts in your mapWEIGHT315=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS316=71,2607the atoms involved in each of the contacts you wish to calculateSWITCH316={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5113179087638855}The switching functions to use for each of the contacts in your mapWEIGHT316=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS317=71,2611the atoms involved in each of the contacts you wish to calculateSWITCH317={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5579631924629211}The switching functions to use for each of the contacts in your mapWEIGHT317=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS318=73,138the atoms involved in each of the contacts you wish to calculateSWITCH318={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46620383858680725}The switching functions to use for each of the contacts in your mapWEIGHT318=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS319=73,140the atoms involved in each of the contacts you wish to calculateSWITCH319={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5502926111221313}The switching functions to use for each of the contacts in your mapWEIGHT319=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS320=73,142the atoms involved in each of the contacts you wish to calculateSWITCH320={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5086000561714172}The switching functions to use for each of the contacts in your mapWEIGHT320=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS321=73,154the atoms involved in each of the contacts you wish to calculateSWITCH321={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.574499785900116}The switching functions to use for each of the contacts in your mapWEIGHT321=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS322=73,2607the atoms involved in each of the contacts you wish to calculateSWITCH322={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5406893491744995}The switching functions to use for each of the contacts in your mapWEIGHT322=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS323=75,138the atoms involved in each of the contacts you wish to calculateSWITCH323={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.58132004737854}The switching functions to use for each of the contacts in your mapWEIGHT323=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS324=75,142the atoms involved in each of the contacts you wish to calculateSWITCH324={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5661492943763733}The switching functions to use for each of the contacts in your mapWEIGHT324=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS325=75,593the atoms involved in each of the contacts you wish to calculateSWITCH325={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5409870743751526}The switching functions to use for each of the contacts in your mapWEIGHT325=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS326=75,2607the atoms involved in each of the contacts you wish to calculateSWITCH326={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5272703766822815}The switching functions to use for each of the contacts in your mapWEIGHT326=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS327=78,593the atoms involved in each of the contacts you wish to calculateSWITCH327={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321522355079651}The switching functions to use for each of the contacts in your mapWEIGHT327=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS328=78,660the atoms involved in each of the contacts you wish to calculateSWITCH328={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5743744373321533}The switching functions to use for each of the contacts in your mapWEIGHT328=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS329=78,661the atoms involved in each of the contacts you wish to calculateSWITCH329={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5494751930236816}The switching functions to use for each of the contacts in your mapWEIGHT329=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS330=78,663the atoms involved in each of the contacts you wish to calculateSWITCH330={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5500572919845581}The switching functions to use for each of the contacts in your mapWEIGHT330=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS331=78,665the atoms involved in each of the contacts you wish to calculateSWITCH331={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5729930400848389}The switching functions to use for each of the contacts in your mapWEIGHT331=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS332=78,668the atoms involved in each of the contacts you wish to calculateSWITCH332={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5964378118515015}The switching functions to use for each of the contacts in your mapWEIGHT332=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS333=78,670the atoms involved in each of the contacts you wish to calculateSWITCH333={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5960972905158997}The switching functions to use for each of the contacts in your mapWEIGHT333=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS334=78,2605the atoms involved in each of the contacts you wish to calculateSWITCH334={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5534022450447083}The switching functions to use for each of the contacts in your mapWEIGHT334=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS335=78,2607the atoms involved in each of the contacts you wish to calculateSWITCH335={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4091589152812958}The switching functions to use for each of the contacts in your mapWEIGHT335=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS336=78,2611the atoms involved in each of the contacts you wish to calculateSWITCH336={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5891977548599243}The switching functions to use for each of the contacts in your mapWEIGHT336=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS337=78,2678the atoms involved in each of the contacts you wish to calculateSWITCH337={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441011190414429}The switching functions to use for each of the contacts in your mapWEIGHT337=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS338=78,2680the atoms involved in each of the contacts you wish to calculateSWITCH338={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5764555931091309}The switching functions to use for each of the contacts in your mapWEIGHT338=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS339=78,2684the atoms involved in each of the contacts you wish to calculateSWITCH339={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5304809212684631}The switching functions to use for each of the contacts in your mapWEIGHT339=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS340=79,142the atoms involved in each of the contacts you wish to calculateSWITCH340={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5594711899757385}The switching functions to use for each of the contacts in your mapWEIGHT340=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS341=79,593the atoms involved in each of the contacts you wish to calculateSWITCH341={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5337883830070496}The switching functions to use for each of the contacts in your mapWEIGHT341=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS342=79,657the atoms involved in each of the contacts you wish to calculateSWITCH342={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099999904632568}The switching functions to use for each of the contacts in your mapWEIGHT342=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS343=79,660the atoms involved in each of the contacts you wish to calculateSWITCH343={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44384005665779114}The switching functions to use for each of the contacts in your mapWEIGHT343=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS344=79,661the atoms involved in each of the contacts you wish to calculateSWITCH344={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.411265105009079}The switching functions to use for each of the contacts in your mapWEIGHT344=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS345=79,663the atoms involved in each of the contacts you wish to calculateSWITCH345={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4145781099796295}The switching functions to use for each of the contacts in your mapWEIGHT345=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS346=79,665the atoms involved in each of the contacts you wish to calculateSWITCH346={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44745615124702454}The switching functions to use for each of the contacts in your mapWEIGHT346=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS347=79,666the atoms involved in each of the contacts you wish to calculateSWITCH347={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5085675716400146}The switching functions to use for each of the contacts in your mapWEIGHT347=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS348=79,668the atoms involved in each of the contacts you wish to calculateSWITCH348={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4770597815513611}The switching functions to use for each of the contacts in your mapWEIGHT348=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS349=79,670the atoms involved in each of the contacts you wish to calculateSWITCH349={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4742699861526489}The switching functions to use for each of the contacts in your mapWEIGHT349=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS350=79,2605the atoms involved in each of the contacts you wish to calculateSWITCH350={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5030527114868164}The switching functions to use for each of the contacts in your mapWEIGHT350=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS351=79,2607the atoms involved in each of the contacts you wish to calculateSWITCH351={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36100277304649353}The switching functions to use for each of the contacts in your mapWEIGHT351=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS352=79,2611the atoms involved in each of the contacts you wish to calculateSWITCH352={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.537484884262085}The switching functions to use for each of the contacts in your mapWEIGHT352=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS353=79,2678the atoms involved in each of the contacts you wish to calculateSWITCH353={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5346755981445312}The switching functions to use for each of the contacts in your mapWEIGHT353=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS354=79,2680the atoms involved in each of the contacts you wish to calculateSWITCH354={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.57950758934021}The switching functions to use for each of the contacts in your mapWEIGHT354=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS355=79,2684the atoms involved in each of the contacts you wish to calculateSWITCH355={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5288572311401367}The switching functions to use for each of the contacts in your mapWEIGHT355=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS356=81,593the atoms involved in each of the contacts you wish to calculateSWITCH356={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5786786675453186}The switching functions to use for each of the contacts in your mapWEIGHT356=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS357=81,613the atoms involved in each of the contacts you wish to calculateSWITCH357={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5563380122184753}The switching functions to use for each of the contacts in your mapWEIGHT357=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS358=81,655the atoms involved in each of the contacts you wish to calculateSWITCH358={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5928802490234375}The switching functions to use for each of the contacts in your mapWEIGHT358=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS359=81,657the atoms involved in each of the contacts you wish to calculateSWITCH359={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4654642641544342}The switching functions to use for each of the contacts in your mapWEIGHT359=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS360=81,660the atoms involved in each of the contacts you wish to calculateSWITCH360={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37397992610931396}The switching functions to use for each of the contacts in your mapWEIGHT360=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS361=81,661the atoms involved in each of the contacts you wish to calculateSWITCH361={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3611011207103729}The switching functions to use for each of the contacts in your mapWEIGHT361=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS362=81,663the atoms involved in each of the contacts you wish to calculateSWITCH362={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34724918007850647}The switching functions to use for each of the contacts in your mapWEIGHT362=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS363=81,665the atoms involved in each of the contacts you wish to calculateSWITCH363={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34329870343208313}The switching functions to use for each of the contacts in your mapWEIGHT363=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS364=81,666the atoms involved in each of the contacts you wish to calculateSWITCH364={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4047394096851349}The switching functions to use for each of the contacts in your mapWEIGHT364=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS365=81,668the atoms involved in each of the contacts you wish to calculateSWITCH365={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35563042759895325}The switching functions to use for each of the contacts in your mapWEIGHT365=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS366=81,670the atoms involved in each of the contacts you wish to calculateSWITCH366={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36953622102737427}The switching functions to use for each of the contacts in your mapWEIGHT366=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS367=81,2603the atoms involved in each of the contacts you wish to calculateSWITCH367={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5475637316703796}The switching functions to use for each of the contacts in your mapWEIGHT367=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS368=81,2605the atoms involved in each of the contacts you wish to calculateSWITCH368={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4423268139362335}The switching functions to use for each of the contacts in your mapWEIGHT368=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS369=81,2607the atoms involved in each of the contacts you wish to calculateSWITCH369={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2993426024913788}The switching functions to use for each of the contacts in your mapWEIGHT369=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS370=81,2611the atoms involved in each of the contacts you wish to calculateSWITCH370={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5084987878799438}The switching functions to use for each of the contacts in your mapWEIGHT370=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS371=81,2615the atoms involved in each of the contacts you wish to calculateSWITCH371={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5406792163848877}The switching functions to use for each of the contacts in your mapWEIGHT371=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS372=81,2616the atoms involved in each of the contacts you wish to calculateSWITCH372={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5521241426467896}The switching functions to use for each of the contacts in your mapWEIGHT372=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS373=81,2617the atoms involved in each of the contacts you wish to calculateSWITCH373={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5704919099807739}The switching functions to use for each of the contacts in your mapWEIGHT373=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS374=81,2672the atoms involved in each of the contacts you wish to calculateSWITCH374={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49500909447669983}The switching functions to use for each of the contacts in your mapWEIGHT374=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS375=81,2675the atoms involved in each of the contacts you wish to calculateSWITCH375={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5409741401672363}The switching functions to use for each of the contacts in your mapWEIGHT375=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS376=81,2678the atoms involved in each of the contacts you wish to calculateSWITCH376={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4555644989013672}The switching functions to use for each of the contacts in your mapWEIGHT376=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS377=81,2680the atoms involved in each of the contacts you wish to calculateSWITCH377={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5254369974136353}The switching functions to use for each of the contacts in your mapWEIGHT377=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS378=81,2684the atoms involved in each of the contacts you wish to calculateSWITCH378={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49728161096572876}The switching functions to use for each of the contacts in your mapWEIGHT378=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS379=83,613the atoms involved in each of the contacts you wish to calculateSWITCH379={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5380910634994507}The switching functions to use for each of the contacts in your mapWEIGHT379=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS380=83,657the atoms involved in each of the contacts you wish to calculateSWITCH380={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5544375777244568}The switching functions to use for each of the contacts in your mapWEIGHT380=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS381=83,660the atoms involved in each of the contacts you wish to calculateSWITCH381={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46308204531669617}The switching functions to use for each of the contacts in your mapWEIGHT381=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS382=83,661the atoms involved in each of the contacts you wish to calculateSWITCH382={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4733096659183502}The switching functions to use for each of the contacts in your mapWEIGHT382=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS383=83,663the atoms involved in each of the contacts you wish to calculateSWITCH383={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4469250440597534}The switching functions to use for each of the contacts in your mapWEIGHT383=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS384=83,665the atoms involved in each of the contacts you wish to calculateSWITCH384={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4034154415130615}The switching functions to use for each of the contacts in your mapWEIGHT384=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS385=83,666the atoms involved in each of the contacts you wish to calculateSWITCH385={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4404633641242981}The switching functions to use for each of the contacts in your mapWEIGHT385=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS386=83,668the atoms involved in each of the contacts you wish to calculateSWITCH386={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3897114396095276}The switching functions to use for each of the contacts in your mapWEIGHT386=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS387=83,670the atoms involved in each of the contacts you wish to calculateSWITCH387={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42044857144355774}The switching functions to use for each of the contacts in your mapWEIGHT387=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS388=83,1300the atoms involved in each of the contacts you wish to calculateSWITCH388={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5976797342300415}The switching functions to use for each of the contacts in your mapWEIGHT388=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS389=83,2603the atoms involved in each of the contacts you wish to calculateSWITCH389={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5093761086463928}The switching functions to use for each of the contacts in your mapWEIGHT389=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS390=83,2605the atoms involved in each of the contacts you wish to calculateSWITCH390={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4374139904975891}The switching functions to use for each of the contacts in your mapWEIGHT390=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS391=83,2607the atoms involved in each of the contacts you wish to calculateSWITCH391={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.29243460297584534}The switching functions to use for each of the contacts in your mapWEIGHT391=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS392=83,2611the atoms involved in each of the contacts you wish to calculateSWITCH392={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5360270142555237}The switching functions to use for each of the contacts in your mapWEIGHT392=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS393=83,2615the atoms involved in each of the contacts you wish to calculateSWITCH393={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4678204655647278}The switching functions to use for each of the contacts in your mapWEIGHT393=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS394=83,2616the atoms involved in each of the contacts you wish to calculateSWITCH394={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4588605463504791}The switching functions to use for each of the contacts in your mapWEIGHT394=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS395=83,2617the atoms involved in each of the contacts you wish to calculateSWITCH395={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49652087688446045}The switching functions to use for each of the contacts in your mapWEIGHT395=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS396=83,2618the atoms involved in each of the contacts you wish to calculateSWITCH396={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5639095902442932}The switching functions to use for each of the contacts in your mapWEIGHT396=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS397=83,2627the atoms involved in each of the contacts you wish to calculateSWITCH397={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.520748496055603}The switching functions to use for each of the contacts in your mapWEIGHT397=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS398=83,2665the atoms involved in each of the contacts you wish to calculateSWITCH398={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5285735130310059}The switching functions to use for each of the contacts in your mapWEIGHT398=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS399=83,2667the atoms involved in each of the contacts you wish to calculateSWITCH399={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5291739106178284}The switching functions to use for each of the contacts in your mapWEIGHT399=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS400=83,2669the atoms involved in each of the contacts you wish to calculateSWITCH400={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4898703694343567}The switching functions to use for each of the contacts in your mapWEIGHT400=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS401=83,2672the atoms involved in each of the contacts you wish to calculateSWITCH401={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37011080980300903}The switching functions to use for each of the contacts in your mapWEIGHT401=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS402=83,2675the atoms involved in each of the contacts you wish to calculateSWITCH402={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4307609498500824}The switching functions to use for each of the contacts in your mapWEIGHT402=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS403=83,2678the atoms involved in each of the contacts you wish to calculateSWITCH403={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36832186579704285}The switching functions to use for each of the contacts in your mapWEIGHT403=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS404=83,2680the atoms involved in each of the contacts you wish to calculateSWITCH404={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45705360174179077}The switching functions to use for each of the contacts in your mapWEIGHT404=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS405=83,2681the atoms involved in each of the contacts you wish to calculateSWITCH405={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5753790140151978}The switching functions to use for each of the contacts in your mapWEIGHT405=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS406=83,2684the atoms involved in each of the contacts you wish to calculateSWITCH406={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4617304503917694}The switching functions to use for each of the contacts in your mapWEIGHT406=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS407=84,611the atoms involved in each of the contacts you wish to calculateSWITCH407={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5776824355125427}The switching functions to use for each of the contacts in your mapWEIGHT407=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS408=84,612the atoms involved in each of the contacts you wish to calculateSWITCH408={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5904743671417236}The switching functions to use for each of the contacts in your mapWEIGHT408=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS409=84,613the atoms involved in each of the contacts you wish to calculateSWITCH409={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4805174171924591}The switching functions to use for each of the contacts in your mapWEIGHT409=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS410=84,657the atoms involved in each of the contacts you wish to calculateSWITCH410={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5664891600608826}The switching functions to use for each of the contacts in your mapWEIGHT410=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS411=84,660the atoms involved in each of the contacts you wish to calculateSWITCH411={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4628865718841553}The switching functions to use for each of the contacts in your mapWEIGHT411=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS412=84,661the atoms involved in each of the contacts you wish to calculateSWITCH412={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4921676516532898}The switching functions to use for each of the contacts in your mapWEIGHT412=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS413=84,663the atoms involved in each of the contacts you wish to calculateSWITCH413={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4532119035720825}The switching functions to use for each of the contacts in your mapWEIGHT413=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS414=84,665the atoms involved in each of the contacts you wish to calculateSWITCH414={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3705846667289734}The switching functions to use for each of the contacts in your mapWEIGHT414=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS415=84,666the atoms involved in each of the contacts you wish to calculateSWITCH415={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39513665437698364}The switching functions to use for each of the contacts in your mapWEIGHT415=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS416=84,668the atoms involved in each of the contacts you wish to calculateSWITCH416={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.328198105096817}The switching functions to use for each of the contacts in your mapWEIGHT416=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS417=84,670the atoms involved in each of the contacts you wish to calculateSWITCH417={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3812532126903534}The switching functions to use for each of the contacts in your mapWEIGHT417=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS418=84,1298the atoms involved in each of the contacts you wish to calculateSWITCH418={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5850760340690613}The switching functions to use for each of the contacts in your mapWEIGHT418=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS419=84,1300the atoms involved in each of the contacts you wish to calculateSWITCH419={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47287842631340027}The switching functions to use for each of the contacts in your mapWEIGHT419=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS420=84,1301the atoms involved in each of the contacts you wish to calculateSWITCH420={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5242957472801208}The switching functions to use for each of the contacts in your mapWEIGHT420=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS421=84,1854the atoms involved in each of the contacts you wish to calculateSWITCH421={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5893479585647583}The switching functions to use for each of the contacts in your mapWEIGHT421=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS422=84,2603the atoms involved in each of the contacts you wish to calculateSWITCH422={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4980331361293793}The switching functions to use for each of the contacts in your mapWEIGHT422=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS423=84,2605the atoms involved in each of the contacts you wish to calculateSWITCH423={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4368912875652313}The switching functions to use for each of the contacts in your mapWEIGHT423=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS424=84,2607the atoms involved in each of the contacts you wish to calculateSWITCH424={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3189874589443207}The switching functions to use for each of the contacts in your mapWEIGHT424=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS425=84,2611the atoms involved in each of the contacts you wish to calculateSWITCH425={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5603195428848267}The switching functions to use for each of the contacts in your mapWEIGHT425=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS426=84,2615the atoms involved in each of the contacts you wish to calculateSWITCH426={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42758509516716003}The switching functions to use for each of the contacts in your mapWEIGHT426=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS427=84,2616the atoms involved in each of the contacts you wish to calculateSWITCH427={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43093156814575195}The switching functions to use for each of the contacts in your mapWEIGHT427=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS428=84,2617the atoms involved in each of the contacts you wish to calculateSWITCH428={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4205448627471924}The switching functions to use for each of the contacts in your mapWEIGHT428=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS429=84,2618the atoms involved in each of the contacts you wish to calculateSWITCH429={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48204874992370605}The switching functions to use for each of the contacts in your mapWEIGHT429=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS430=84,2621the atoms involved in each of the contacts you wish to calculateSWITCH430={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5623540282249451}The switching functions to use for each of the contacts in your mapWEIGHT430=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS431=84,2624the atoms involved in each of the contacts you wish to calculateSWITCH431={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5090550184249878}The switching functions to use for each of the contacts in your mapWEIGHT431=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS432=84,2627the atoms involved in each of the contacts you wish to calculateSWITCH432={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4201594591140747}The switching functions to use for each of the contacts in your mapWEIGHT432=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS433=84,2629the atoms involved in each of the contacts you wish to calculateSWITCH433={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5232294201850891}The switching functions to use for each of the contacts in your mapWEIGHT433=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS434=84,2630the atoms involved in each of the contacts you wish to calculateSWITCH434={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5527838468551636}The switching functions to use for each of the contacts in your mapWEIGHT434=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS435=84,2663the atoms involved in each of the contacts you wish to calculateSWITCH435={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5927638411521912}The switching functions to use for each of the contacts in your mapWEIGHT435=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS436=84,2665the atoms involved in each of the contacts you wish to calculateSWITCH436={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48623141646385193}The switching functions to use for each of the contacts in your mapWEIGHT436=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS437=84,2667the atoms involved in each of the contacts you wish to calculateSWITCH437={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47543033957481384}The switching functions to use for each of the contacts in your mapWEIGHT437=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS438=84,2669the atoms involved in each of the contacts you wish to calculateSWITCH438={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.401634156703949}The switching functions to use for each of the contacts in your mapWEIGHT438=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS439=84,2672the atoms involved in each of the contacts you wish to calculateSWITCH439={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.28019100427627563}The switching functions to use for each of the contacts in your mapWEIGHT439=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS440=84,2675the atoms involved in each of the contacts you wish to calculateSWITCH440={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3654777705669403}The switching functions to use for each of the contacts in your mapWEIGHT440=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS441=84,2678the atoms involved in each of the contacts you wish to calculateSWITCH441={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3380443751811981}The switching functions to use for each of the contacts in your mapWEIGHT441=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS442=84,2680the atoms involved in each of the contacts you wish to calculateSWITCH442={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45398786664009094}The switching functions to use for each of the contacts in your mapWEIGHT442=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS443=84,2681the atoms involved in each of the contacts you wish to calculateSWITCH443={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5651317834854126}The switching functions to use for each of the contacts in your mapWEIGHT443=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS444=84,2684the atoms involved in each of the contacts you wish to calculateSWITCH444={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48759204149246216}The switching functions to use for each of the contacts in your mapWEIGHT444=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS445=86,660the atoms involved in each of the contacts you wish to calculateSWITCH445={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5883969664573669}The switching functions to use for each of the contacts in your mapWEIGHT445=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS446=86,661the atoms involved in each of the contacts you wish to calculateSWITCH446={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5967662930488586}The switching functions to use for each of the contacts in your mapWEIGHT446=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS447=86,663the atoms involved in each of the contacts you wish to calculateSWITCH447={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739424824714661}The switching functions to use for each of the contacts in your mapWEIGHT447=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS448=86,665the atoms involved in each of the contacts you wish to calculateSWITCH448={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5375928282737732}The switching functions to use for each of the contacts in your mapWEIGHT448=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS449=86,666the atoms involved in each of the contacts you wish to calculateSWITCH449={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5634943842887878}The switching functions to use for each of the contacts in your mapWEIGHT449=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS450=86,668the atoms involved in each of the contacts you wish to calculateSWITCH450={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269772410392761}The switching functions to use for each of the contacts in your mapWEIGHT450=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS451=86,670the atoms involved in each of the contacts you wish to calculateSWITCH451={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5524536371231079}The switching functions to use for each of the contacts in your mapWEIGHT451=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS452=86,2603the atoms involved in each of the contacts you wish to calculateSWITCH452={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5344286561012268}The switching functions to use for each of the contacts in your mapWEIGHT452=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS453=86,2605the atoms involved in each of the contacts you wish to calculateSWITCH453={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4927119016647339}The switching functions to use for each of the contacts in your mapWEIGHT453=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS454=86,2607the atoms involved in each of the contacts you wish to calculateSWITCH454={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3480890691280365}The switching functions to use for each of the contacts in your mapWEIGHT454=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS455=86,2611the atoms involved in each of the contacts you wish to calculateSWITCH455={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5869965553283691}The switching functions to use for each of the contacts in your mapWEIGHT455=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS456=86,2615the atoms involved in each of the contacts you wish to calculateSWITCH456={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48653674125671387}The switching functions to use for each of the contacts in your mapWEIGHT456=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS457=86,2616the atoms involved in each of the contacts you wish to calculateSWITCH457={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4436225891113281}The switching functions to use for each of the contacts in your mapWEIGHT457=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS458=86,2617the atoms involved in each of the contacts you wish to calculateSWITCH458={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.540726363658905}The switching functions to use for each of the contacts in your mapWEIGHT458=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS459=86,2627the atoms involved in each of the contacts you wish to calculateSWITCH459={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5585525631904602}The switching functions to use for each of the contacts in your mapWEIGHT459=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS460=86,2648the atoms involved in each of the contacts you wish to calculateSWITCH460={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5959513187408447}The switching functions to use for each of the contacts in your mapWEIGHT460=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS461=86,2650the atoms involved in each of the contacts you wish to calculateSWITCH461={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5724080801010132}The switching functions to use for each of the contacts in your mapWEIGHT461=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS462=86,2652the atoms involved in each of the contacts you wish to calculateSWITCH462={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5106260776519775}The switching functions to use for each of the contacts in your mapWEIGHT462=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS463=86,2663the atoms involved in each of the contacts you wish to calculateSWITCH463={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5285886526107788}The switching functions to use for each of the contacts in your mapWEIGHT463=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS464=86,2664the atoms involved in each of the contacts you wish to calculateSWITCH464={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5888029932975769}The switching functions to use for each of the contacts in your mapWEIGHT464=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS465=86,2665the atoms involved in each of the contacts you wish to calculateSWITCH465={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46595922112464905}The switching functions to use for each of the contacts in your mapWEIGHT465=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS466=86,2667the atoms involved in each of the contacts you wish to calculateSWITCH466={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47621527314186096}The switching functions to use for each of the contacts in your mapWEIGHT466=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS467=86,2669the atoms involved in each of the contacts you wish to calculateSWITCH467={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4780386984348297}The switching functions to use for each of the contacts in your mapWEIGHT467=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS468=86,2672the atoms involved in each of the contacts you wish to calculateSWITCH468={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3802052140235901}The switching functions to use for each of the contacts in your mapWEIGHT468=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS469=86,2675the atoms involved in each of the contacts you wish to calculateSWITCH469={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4338213801383972}The switching functions to use for each of the contacts in your mapWEIGHT469=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS470=86,2678the atoms involved in each of the contacts you wish to calculateSWITCH470={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3784719407558441}The switching functions to use for each of the contacts in your mapWEIGHT470=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS471=86,2680the atoms involved in each of the contacts you wish to calculateSWITCH471={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45073941349983215}The switching functions to use for each of the contacts in your mapWEIGHT471=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS472=86,2681the atoms involved in each of the contacts you wish to calculateSWITCH472={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5534012913703918}The switching functions to use for each of the contacts in your mapWEIGHT472=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS473=86,2684the atoms involved in each of the contacts you wish to calculateSWITCH473={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4620140492916107}The switching functions to use for each of the contacts in your mapWEIGHT473=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS474=88,593the atoms involved in each of the contacts you wish to calculateSWITCH474={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5740914940834045}The switching functions to use for each of the contacts in your mapWEIGHT474=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS475=88,2603the atoms involved in each of the contacts you wish to calculateSWITCH475={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5949587821960449}The switching functions to use for each of the contacts in your mapWEIGHT475=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS476=88,2605the atoms involved in each of the contacts you wish to calculateSWITCH476={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5474623441696167}The switching functions to use for each of the contacts in your mapWEIGHT476=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS477=88,2607the atoms involved in each of the contacts you wish to calculateSWITCH477={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40191787481307983}The switching functions to use for each of the contacts in your mapWEIGHT477=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS478=88,2615the atoms involved in each of the contacts you wish to calculateSWITCH478={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5744771361351013}The switching functions to use for each of the contacts in your mapWEIGHT478=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS479=88,2616the atoms involved in each of the contacts you wish to calculateSWITCH479={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.528489351272583}The switching functions to use for each of the contacts in your mapWEIGHT479=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS480=88,2652the atoms involved in each of the contacts you wish to calculateSWITCH480={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432062149047852}The switching functions to use for each of the contacts in your mapWEIGHT480=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS481=88,2665the atoms involved in each of the contacts you wish to calculateSWITCH481={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5644838809967041}The switching functions to use for each of the contacts in your mapWEIGHT481=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS482=88,2667the atoms involved in each of the contacts you wish to calculateSWITCH482={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825092196464539}The switching functions to use for each of the contacts in your mapWEIGHT482=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS483=88,2672the atoms involved in each of the contacts you wish to calculateSWITCH483={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5106368660926819}The switching functions to use for each of the contacts in your mapWEIGHT483=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS484=88,2675the atoms involved in each of the contacts you wish to calculateSWITCH484={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5458452105522156}The switching functions to use for each of the contacts in your mapWEIGHT484=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS485=88,2678the atoms involved in each of the contacts you wish to calculateSWITCH485={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47124624252319336}The switching functions to use for each of the contacts in your mapWEIGHT485=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS486=88,2680the atoms involved in each of the contacts you wish to calculateSWITCH486={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5132855176925659}The switching functions to use for each of the contacts in your mapWEIGHT486=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS487=88,2684the atoms involved in each of the contacts you wish to calculateSWITCH487={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49608367681503296}The switching functions to use for each of the contacts in your mapWEIGHT487=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS488=90,138the atoms involved in each of the contacts you wish to calculateSWITCH488={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39824992418289185}The switching functions to use for each of the contacts in your mapWEIGHT488=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS489=90,140the atoms involved in each of the contacts you wish to calculateSWITCH489={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4764504134654999}The switching functions to use for each of the contacts in your mapWEIGHT489=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS490=90,142the atoms involved in each of the contacts you wish to calculateSWITCH490={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4577368497848511}The switching functions to use for each of the contacts in your mapWEIGHT490=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS491=90,145the atoms involved in each of the contacts you wish to calculateSWITCH491={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5985524654388428}The switching functions to use for each of the contacts in your mapWEIGHT491=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS492=90,153the atoms involved in each of the contacts you wish to calculateSWITCH492={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099735856056213}The switching functions to use for each of the contacts in your mapWEIGHT492=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS493=90,154the atoms involved in each of the contacts you wish to calculateSWITCH493={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44798776507377625}The switching functions to use for each of the contacts in your mapWEIGHT493=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS494=90,183the atoms involved in each of the contacts you wish to calculateSWITCH494={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5033587217330933}The switching functions to use for each of the contacts in your mapWEIGHT494=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS495=90,186the atoms involved in each of the contacts you wish to calculateSWITCH495={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5682727694511414}The switching functions to use for each of the contacts in your mapWEIGHT495=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS496=91,138the atoms involved in each of the contacts you wish to calculateSWITCH496={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.30443719029426575}The switching functions to use for each of the contacts in your mapWEIGHT496=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS497=91,140the atoms involved in each of the contacts you wish to calculateSWITCH497={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36182039976119995}The switching functions to use for each of the contacts in your mapWEIGHT497=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS498=91,142the atoms involved in each of the contacts you wish to calculateSWITCH498={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3444909453392029}The switching functions to use for each of the contacts in your mapWEIGHT498=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS499=91,145the atoms involved in each of the contacts you wish to calculateSWITCH499={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4853699803352356}The switching functions to use for each of the contacts in your mapWEIGHT499=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS500=91,148the atoms involved in each of the contacts you wish to calculateSWITCH500={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442095398902893}The switching functions to use for each of the contacts in your mapWEIGHT500=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS501=91,149the atoms involved in each of the contacts you wish to calculateSWITCH501={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5354894995689392}The switching functions to use for each of the contacts in your mapWEIGHT501=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS502=91,153the atoms involved in each of the contacts you wish to calculateSWITCH502={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3910754919052124}The switching functions to use for each of the contacts in your mapWEIGHT502=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS503=91,154the atoms involved in each of the contacts you wish to calculateSWITCH503={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33784019947052}The switching functions to use for each of the contacts in your mapWEIGHT503=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS504=91,155the atoms involved in each of the contacts you wish to calculateSWITCH504={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5186598896980286}The switching functions to use for each of the contacts in your mapWEIGHT504=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS505=91,177the atoms involved in each of the contacts you wish to calculateSWITCH505={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5721023082733154}The switching functions to use for each of the contacts in your mapWEIGHT505=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS506=91,179the atoms involved in each of the contacts you wish to calculateSWITCH506={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5184381008148193}The switching functions to use for each of the contacts in your mapWEIGHT506=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS507=91,181the atoms involved in each of the contacts you wish to calculateSWITCH507={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5387411713600159}The switching functions to use for each of the contacts in your mapWEIGHT507=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS508=91,183the atoms involved in each of the contacts you wish to calculateSWITCH508={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4312250018119812}The switching functions to use for each of the contacts in your mapWEIGHT508=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS509=91,186the atoms involved in each of the contacts you wish to calculateSWITCH509={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181476473808289}The switching functions to use for each of the contacts in your mapWEIGHT509=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS510=91,188the atoms involved in each of the contacts you wish to calculateSWITCH510={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5936750173568726}The switching functions to use for each of the contacts in your mapWEIGHT510=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS511=91,198the atoms involved in each of the contacts you wish to calculateSWITCH511={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5631349682807922}The switching functions to use for each of the contacts in your mapWEIGHT511=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS512=92,183the atoms involved in each of the contacts you wish to calculateSWITCH512={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5071044564247131}The switching functions to use for each of the contacts in your mapWEIGHT512=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS513=92,186the atoms involved in each of the contacts you wish to calculateSWITCH513={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610605478286743}The switching functions to use for each of the contacts in your mapWEIGHT513=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS514=92,188the atoms involved in each of the contacts you wish to calculateSWITCH514={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5823555588722229}The switching functions to use for each of the contacts in your mapWEIGHT514=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS515=92,198the atoms involved in each of the contacts you wish to calculateSWITCH515={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5661880970001221}The switching functions to use for each of the contacts in your mapWEIGHT515=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS516=92,202the atoms involved in each of the contacts you wish to calculateSWITCH516={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5854007005691528}The switching functions to use for each of the contacts in your mapWEIGHT516=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS517=94,179the atoms involved in each of the contacts you wish to calculateSWITCH517={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5351158976554871}The switching functions to use for each of the contacts in your mapWEIGHT517=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS518=94,181the atoms involved in each of the contacts you wish to calculateSWITCH518={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5163419246673584}The switching functions to use for each of the contacts in your mapWEIGHT518=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS519=94,183the atoms involved in each of the contacts you wish to calculateSWITCH519={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42598122358322144}The switching functions to use for each of the contacts in your mapWEIGHT519=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS520=94,186the atoms involved in each of the contacts you wish to calculateSWITCH520={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48987141251564026}The switching functions to use for each of the contacts in your mapWEIGHT520=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS521=94,188the atoms involved in each of the contacts you wish to calculateSWITCH521={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4894006550312042}The switching functions to use for each of the contacts in your mapWEIGHT521=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS522=94,196the atoms involved in each of the contacts you wish to calculateSWITCH522={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5125748515129089}The switching functions to use for each of the contacts in your mapWEIGHT522=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS523=94,198the atoms involved in each of the contacts you wish to calculateSWITCH523={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42948105931282043}The switching functions to use for each of the contacts in your mapWEIGHT523=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS524=94,200the atoms involved in each of the contacts you wish to calculateSWITCH524={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47807326912879944}The switching functions to use for each of the contacts in your mapWEIGHT524=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS525=94,202the atoms involved in each of the contacts you wish to calculateSWITCH525={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4413716793060303}The switching functions to use for each of the contacts in your mapWEIGHT525=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS526=94,205the atoms involved in each of the contacts you wish to calculateSWITCH526={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5430681109428406}The switching functions to use for each of the contacts in your mapWEIGHT526=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS527=96,183the atoms involved in each of the contacts you wish to calculateSWITCH527={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5236687660217285}The switching functions to use for each of the contacts in your mapWEIGHT527=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS528=96,186the atoms involved in each of the contacts you wish to calculateSWITCH528={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650017261505127}The switching functions to use for each of the contacts in your mapWEIGHT528=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS529=96,188the atoms involved in each of the contacts you wish to calculateSWITCH529={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5230010151863098}The switching functions to use for each of the contacts in your mapWEIGHT529=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS530=96,196the atoms involved in each of the contacts you wish to calculateSWITCH530={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5594658255577087}The switching functions to use for each of the contacts in your mapWEIGHT530=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS531=96,198the atoms involved in each of the contacts you wish to calculateSWITCH531={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4623623788356781}The switching functions to use for each of the contacts in your mapWEIGHT531=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS532=96,200the atoms involved in each of the contacts you wish to calculateSWITCH532={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4641217887401581}The switching functions to use for each of the contacts in your mapWEIGHT532=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS533=96,202the atoms involved in each of the contacts you wish to calculateSWITCH533={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40873703360557556}The switching functions to use for each of the contacts in your mapWEIGHT533=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS534=96,205the atoms involved in each of the contacts you wish to calculateSWITCH534={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4718325734138489}The switching functions to use for each of the contacts in your mapWEIGHT534=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS535=96,208the atoms involved in each of the contacts you wish to calculateSWITCH535={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5823202729225159}The switching functions to use for each of the contacts in your mapWEIGHT535=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS536=96,209the atoms involved in each of the contacts you wish to calculateSWITCH536={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822962522506714}The switching functions to use for each of the contacts in your mapWEIGHT536=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS537=99,183the atoms involved in each of the contacts you wish to calculateSWITCH537={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5646246075630188}The switching functions to use for each of the contacts in your mapWEIGHT537=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS538=99,186the atoms involved in each of the contacts you wish to calculateSWITCH538={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5651061534881592}The switching functions to use for each of the contacts in your mapWEIGHT538=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS539=99,188the atoms involved in each of the contacts you wish to calculateSWITCH539={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5062114596366882}The switching functions to use for each of the contacts in your mapWEIGHT539=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS540=99,198the atoms involved in each of the contacts you wish to calculateSWITCH540={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5398267507553101}The switching functions to use for each of the contacts in your mapWEIGHT540=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS541=99,200the atoms involved in each of the contacts you wish to calculateSWITCH541={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5361371040344238}The switching functions to use for each of the contacts in your mapWEIGHT541=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS542=99,202the atoms involved in each of the contacts you wish to calculateSWITCH542={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5090559124946594}The switching functions to use for each of the contacts in your mapWEIGHT542=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS543=99,205the atoms involved in each of the contacts you wish to calculateSWITCH543={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.555371880531311}The switching functions to use for each of the contacts in your mapWEIGHT543=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS544=102,188the atoms involved in each of the contacts you wish to calculateSWITCH544={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.536859393119812}The switching functions to use for each of the contacts in your mapWEIGHT544=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS545=102,198the atoms involved in each of the contacts you wish to calculateSWITCH545={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5692564845085144}The switching functions to use for each of the contacts in your mapWEIGHT545=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS546=102,200the atoms involved in each of the contacts you wish to calculateSWITCH546={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5287466645240784}The switching functions to use for each of the contacts in your mapWEIGHT546=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS547=102,202the atoms involved in each of the contacts you wish to calculateSWITCH547={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.503966212272644}The switching functions to use for each of the contacts in your mapWEIGHT547=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS548=102,205the atoms involved in each of the contacts you wish to calculateSWITCH548={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5120508074760437}The switching functions to use for each of the contacts in your mapWEIGHT548=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS549=103,188the atoms involved in each of the contacts you wish to calculateSWITCH549={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5168152451515198}The switching functions to use for each of the contacts in your mapWEIGHT549=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS550=103,196the atoms involved in each of the contacts you wish to calculateSWITCH550={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5852503776550293}The switching functions to use for each of the contacts in your mapWEIGHT550=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS551=103,198the atoms involved in each of the contacts you wish to calculateSWITCH551={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5004128217697144}The switching functions to use for each of the contacts in your mapWEIGHT551=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS552=103,200the atoms involved in each of the contacts you wish to calculateSWITCH552={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4348022937774658}The switching functions to use for each of the contacts in your mapWEIGHT552=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS553=103,202the atoms involved in each of the contacts you wish to calculateSWITCH553={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40895718336105347}The switching functions to use for each of the contacts in your mapWEIGHT553=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS554=103,205the atoms involved in each of the contacts you wish to calculateSWITCH554={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3999049961566925}The switching functions to use for each of the contacts in your mapWEIGHT554=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS555=103,208the atoms involved in each of the contacts you wish to calculateSWITCH555={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5354894995689392}The switching functions to use for each of the contacts in your mapWEIGHT555=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS556=103,209the atoms involved in each of the contacts you wish to calculateSWITCH556={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5923588275909424}The switching functions to use for each of the contacts in your mapWEIGHT556=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS557=103,211the atoms involved in each of the contacts you wish to calculateSWITCH557={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5546971559524536}The switching functions to use for each of the contacts in your mapWEIGHT557=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS558=103,212the atoms involved in each of the contacts you wish to calculateSWITCH558={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5707197785377502}The switching functions to use for each of the contacts in your mapWEIGHT558=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS559=105,155the atoms involved in each of the contacts you wish to calculateSWITCH559={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5657702684402466}The switching functions to use for each of the contacts in your mapWEIGHT559=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS560=105,177the atoms involved in each of the contacts you wish to calculateSWITCH560={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732547044754028}The switching functions to use for each of the contacts in your mapWEIGHT560=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS561=105,179the atoms involved in each of the contacts you wish to calculateSWITCH561={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47292494773864746}The switching functions to use for each of the contacts in your mapWEIGHT561=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS562=105,181the atoms involved in each of the contacts you wish to calculateSWITCH562={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4930740296840668}The switching functions to use for each of the contacts in your mapWEIGHT562=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS563=105,183the atoms involved in each of the contacts you wish to calculateSWITCH563={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43830010294914246}The switching functions to use for each of the contacts in your mapWEIGHT563=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS564=105,186the atoms involved in each of the contacts you wish to calculateSWITCH564={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.541247546672821}The switching functions to use for each of the contacts in your mapWEIGHT564=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS565=105,188the atoms involved in each of the contacts you wish to calculateSWITCH565={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5530008673667908}The switching functions to use for each of the contacts in your mapWEIGHT565=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS566=105,196the atoms involved in each of the contacts you wish to calculateSWITCH566={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4919085204601288}The switching functions to use for each of the contacts in your mapWEIGHT566=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS567=105,198the atoms involved in each of the contacts you wish to calculateSWITCH567={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3943715989589691}The switching functions to use for each of the contacts in your mapWEIGHT567=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS568=105,200the atoms involved in each of the contacts you wish to calculateSWITCH568={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4492760896682739}The switching functions to use for each of the contacts in your mapWEIGHT568=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS569=105,202the atoms involved in each of the contacts you wish to calculateSWITCH569={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3891400396823883}The switching functions to use for each of the contacts in your mapWEIGHT569=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS570=105,205the atoms involved in each of the contacts you wish to calculateSWITCH570={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5046542882919312}The switching functions to use for each of the contacts in your mapWEIGHT570=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS571=105,208the atoms involved in each of the contacts you wish to calculateSWITCH571={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5803937911987305}The switching functions to use for each of the contacts in your mapWEIGHT571=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS572=105,209the atoms involved in each of the contacts you wish to calculateSWITCH572={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5396155714988708}The switching functions to use for each of the contacts in your mapWEIGHT572=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS573=105,211the atoms involved in each of the contacts you wish to calculateSWITCH573={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5866079926490784}The switching functions to use for each of the contacts in your mapWEIGHT573=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS574=105,2471the atoms involved in each of the contacts you wish to calculateSWITCH574={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5868049263954163}The switching functions to use for each of the contacts in your mapWEIGHT574=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS575=106,155the atoms involved in each of the contacts you wish to calculateSWITCH575={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46240565180778503}The switching functions to use for each of the contacts in your mapWEIGHT575=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS576=106,157the atoms involved in each of the contacts you wish to calculateSWITCH576={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48263028264045715}The switching functions to use for each of the contacts in your mapWEIGHT576=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS577=106,177the atoms involved in each of the contacts you wish to calculateSWITCH577={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4555721580982208}The switching functions to use for each of the contacts in your mapWEIGHT577=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS578=106,178the atoms involved in each of the contacts you wish to calculateSWITCH578={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5556581616401672}The switching functions to use for each of the contacts in your mapWEIGHT578=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS579=106,179the atoms involved in each of the contacts you wish to calculateSWITCH579={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3552477955818176}The switching functions to use for each of the contacts in your mapWEIGHT579=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS580=106,181the atoms involved in each of the contacts you wish to calculateSWITCH580={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3925875723361969}The switching functions to use for each of the contacts in your mapWEIGHT580=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS581=106,183the atoms involved in each of the contacts you wish to calculateSWITCH581={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3631308376789093}The switching functions to use for each of the contacts in your mapWEIGHT581=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS582=106,186the atoms involved in each of the contacts you wish to calculateSWITCH582={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48804712295532227}The switching functions to use for each of the contacts in your mapWEIGHT582=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS583=106,188the atoms involved in each of the contacts you wish to calculateSWITCH583={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5128946900367737}The switching functions to use for each of the contacts in your mapWEIGHT583=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS584=106,196the atoms involved in each of the contacts you wish to calculateSWITCH584={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4024239182472229}The switching functions to use for each of the contacts in your mapWEIGHT584=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS585=106,197the atoms involved in each of the contacts you wish to calculateSWITCH585={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5217604041099548}The switching functions to use for each of the contacts in your mapWEIGHT585=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS586=106,198the atoms involved in each of the contacts you wish to calculateSWITCH586={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31405410170555115}The switching functions to use for each of the contacts in your mapWEIGHT586=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS587=106,200the atoms involved in each of the contacts you wish to calculateSWITCH587={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39586612582206726}The switching functions to use for each of the contacts in your mapWEIGHT587=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS588=106,202the atoms involved in each of the contacts you wish to calculateSWITCH588={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35996246337890625}The switching functions to use for each of the contacts in your mapWEIGHT588=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS589=106,205the atoms involved in each of the contacts you wish to calculateSWITCH589={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49732378125190735}The switching functions to use for each of the contacts in your mapWEIGHT589=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS590=106,208the atoms involved in each of the contacts you wish to calculateSWITCH590={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5688039660453796}The switching functions to use for each of the contacts in your mapWEIGHT590=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS591=106,209the atoms involved in each of the contacts you wish to calculateSWITCH591={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5285773277282715}The switching functions to use for each of the contacts in your mapWEIGHT591=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS592=106,211the atoms involved in each of the contacts you wish to calculateSWITCH592={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5201979875564575}The switching functions to use for each of the contacts in your mapWEIGHT592=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS593=106,213the atoms involved in each of the contacts you wish to calculateSWITCH593={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.528100311756134}The switching functions to use for each of the contacts in your mapWEIGHT593=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS594=107,179the atoms involved in each of the contacts you wish to calculateSWITCH594={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5777343511581421}The switching functions to use for each of the contacts in your mapWEIGHT594=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS595=107,183the atoms involved in each of the contacts you wish to calculateSWITCH595={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5690922737121582}The switching functions to use for each of the contacts in your mapWEIGHT595=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS596=107,198the atoms involved in each of the contacts you wish to calculateSWITCH596={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4984676241874695}The switching functions to use for each of the contacts in your mapWEIGHT596=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS597=107,200the atoms involved in each of the contacts you wish to calculateSWITCH597={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5320056676864624}The switching functions to use for each of the contacts in your mapWEIGHT597=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS598=107,202the atoms involved in each of the contacts you wish to calculateSWITCH598={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4381996989250183}The switching functions to use for each of the contacts in your mapWEIGHT598=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS599=107,205the atoms involved in each of the contacts you wish to calculateSWITCH599={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5302801132202148}The switching functions to use for each of the contacts in your mapWEIGHT599=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS600=107,208the atoms involved in each of the contacts you wish to calculateSWITCH600={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5787796974182129}The switching functions to use for each of the contacts in your mapWEIGHT600=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS601=107,209the atoms involved in each of the contacts you wish to calculateSWITCH601={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5170106291770935}The switching functions to use for each of the contacts in your mapWEIGHT601=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS602=107,2469the atoms involved in each of the contacts you wish to calculateSWITCH602={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5004028081893921}The switching functions to use for each of the contacts in your mapWEIGHT602=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS603=107,2471the atoms involved in each of the contacts you wish to calculateSWITCH603={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4657520651817322}The switching functions to use for each of the contacts in your mapWEIGHT603=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS604=107,2473the atoms involved in each of the contacts you wish to calculateSWITCH604={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739982724189758}The switching functions to use for each of the contacts in your mapWEIGHT604=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS605=109,179the atoms involved in each of the contacts you wish to calculateSWITCH605={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5900262594223022}The switching functions to use for each of the contacts in your mapWEIGHT605=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS606=109,198the atoms involved in each of the contacts you wish to calculateSWITCH606={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5403295159339905}The switching functions to use for each of the contacts in your mapWEIGHT606=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS607=109,200the atoms involved in each of the contacts you wish to calculateSWITCH607={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5721940398216248}The switching functions to use for each of the contacts in your mapWEIGHT607=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS608=109,202the atoms involved in each of the contacts you wish to calculateSWITCH608={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46596673130989075}The switching functions to use for each of the contacts in your mapWEIGHT608=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS609=109,205the atoms involved in each of the contacts you wish to calculateSWITCH609={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5547909140586853}The switching functions to use for each of the contacts in your mapWEIGHT609=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS610=109,208the atoms involved in each of the contacts you wish to calculateSWITCH610={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5673746466636658}The switching functions to use for each of the contacts in your mapWEIGHT610=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS611=109,209the atoms involved in each of the contacts you wish to calculateSWITCH611={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47988954186439514}The switching functions to use for each of the contacts in your mapWEIGHT611=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS612=109,2406the atoms involved in each of the contacts you wish to calculateSWITCH612={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.596236526966095}The switching functions to use for each of the contacts in your mapWEIGHT612=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS613=109,2469the atoms involved in each of the contacts you wish to calculateSWITCH613={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47802191972732544}The switching functions to use for each of the contacts in your mapWEIGHT613=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS614=109,2471the atoms involved in each of the contacts you wish to calculateSWITCH614={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4249435067176819}The switching functions to use for each of the contacts in your mapWEIGHT614=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS615=109,2473the atoms involved in each of the contacts you wish to calculateSWITCH615={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5320018529891968}The switching functions to use for each of the contacts in your mapWEIGHT615=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS616=111,202the atoms involved in each of the contacts you wish to calculateSWITCH616={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5300914645195007}The switching functions to use for each of the contacts in your mapWEIGHT616=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS617=111,205the atoms involved in each of the contacts you wish to calculateSWITCH617={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825143456459045}The switching functions to use for each of the contacts in your mapWEIGHT617=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS618=111,208the atoms involved in each of the contacts you wish to calculateSWITCH618={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5675861239433289}The switching functions to use for each of the contacts in your mapWEIGHT618=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS619=111,209the atoms involved in each of the contacts you wish to calculateSWITCH619={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46802347898483276}The switching functions to use for each of the contacts in your mapWEIGHT619=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS620=111,2406the atoms involved in each of the contacts you wish to calculateSWITCH620={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5658073425292969}The switching functions to use for each of the contacts in your mapWEIGHT620=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS621=111,2443the atoms involved in each of the contacts you wish to calculateSWITCH621={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5992286801338196}The switching functions to use for each of the contacts in your mapWEIGHT621=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS622=111,2464the atoms involved in each of the contacts you wish to calculateSWITCH622={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5983719825744629}The switching functions to use for each of the contacts in your mapWEIGHT622=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS623=111,2467the atoms involved in each of the contacts you wish to calculateSWITCH623={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5195016264915466}The switching functions to use for each of the contacts in your mapWEIGHT623=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS624=111,2469the atoms involved in each of the contacts you wish to calculateSWITCH624={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38300520181655884}The switching functions to use for each of the contacts in your mapWEIGHT624=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS625=111,2471the atoms involved in each of the contacts you wish to calculateSWITCH625={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3588802218437195}The switching functions to use for each of the contacts in your mapWEIGHT625=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS626=111,2473the atoms involved in each of the contacts you wish to calculateSWITCH626={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4841879904270172}The switching functions to use for each of the contacts in your mapWEIGHT626=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS627=114,202the atoms involved in each of the contacts you wish to calculateSWITCH627={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46239158511161804}The switching functions to use for each of the contacts in your mapWEIGHT627=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS628=114,205the atoms involved in each of the contacts you wish to calculateSWITCH628={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4791555106639862}The switching functions to use for each of the contacts in your mapWEIGHT628=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS629=114,208the atoms involved in each of the contacts you wish to calculateSWITCH629={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4540143311023712}The switching functions to use for each of the contacts in your mapWEIGHT629=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS630=114,209the atoms involved in each of the contacts you wish to calculateSWITCH630={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36229410767555237}The switching functions to use for each of the contacts in your mapWEIGHT630=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS631=114,210the atoms involved in each of the contacts you wish to calculateSWITCH631={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5587647557258606}The switching functions to use for each of the contacts in your mapWEIGHT631=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS632=114,2467the atoms involved in each of the contacts you wish to calculateSWITCH632={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5838877558708191}The switching functions to use for each of the contacts in your mapWEIGHT632=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS633=114,2469the atoms involved in each of the contacts you wish to calculateSWITCH633={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45812875032424927}The switching functions to use for each of the contacts in your mapWEIGHT633=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS634=114,2471the atoms involved in each of the contacts you wish to calculateSWITCH634={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.472920686006546}The switching functions to use for each of the contacts in your mapWEIGHT634=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS635=115,200the atoms involved in each of the contacts you wish to calculateSWITCH635={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5682622790336609}The switching functions to use for each of the contacts in your mapWEIGHT635=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS636=115,202the atoms involved in each of the contacts you wish to calculateSWITCH636={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4189856946468353}The switching functions to use for each of the contacts in your mapWEIGHT636=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS637=115,205the atoms involved in each of the contacts you wish to calculateSWITCH637={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4202796518802643}The switching functions to use for each of the contacts in your mapWEIGHT637=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS638=115,208the atoms involved in each of the contacts you wish to calculateSWITCH638={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3627423346042633}The switching functions to use for each of the contacts in your mapWEIGHT638=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS639=115,209the atoms involved in each of the contacts you wish to calculateSWITCH639={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2564176321029663}The switching functions to use for each of the contacts in your mapWEIGHT639=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS640=115,210the atoms involved in each of the contacts you wish to calculateSWITCH640={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45987066626548767}The switching functions to use for each of the contacts in your mapWEIGHT640=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS641=115,2469the atoms involved in each of the contacts you wish to calculateSWITCH641={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5691229104995728}The switching functions to use for each of the contacts in your mapWEIGHT641=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS642=115,2471the atoms involved in each of the contacts you wish to calculateSWITCH642={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5773828625679016}The switching functions to use for each of the contacts in your mapWEIGHT642=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS643=116,202the atoms involved in each of the contacts you wish to calculateSWITCH643={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4980621933937073}The switching functions to use for each of the contacts in your mapWEIGHT643=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS644=116,205the atoms involved in each of the contacts you wish to calculateSWITCH644={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49504542350769043}The switching functions to use for each of the contacts in your mapWEIGHT644=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS645=116,208the atoms involved in each of the contacts you wish to calculateSWITCH645={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48830828070640564}The switching functions to use for each of the contacts in your mapWEIGHT645=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS646=116,209the atoms involved in each of the contacts you wish to calculateSWITCH646={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4205959439277649}The switching functions to use for each of the contacts in your mapWEIGHT646=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS647=116,210the atoms involved in each of the contacts you wish to calculateSWITCH647={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5873175859451294}The switching functions to use for each of the contacts in your mapWEIGHT647=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS648=116,2467the atoms involved in each of the contacts you wish to calculateSWITCH648={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5533831715583801}The switching functions to use for each of the contacts in your mapWEIGHT648=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS649=116,2469the atoms involved in each of the contacts you wish to calculateSWITCH649={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44171252846717834}The switching functions to use for each of the contacts in your mapWEIGHT649=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS650=116,2471the atoms involved in each of the contacts you wish to calculateSWITCH650={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48799794912338257}The switching functions to use for each of the contacts in your mapWEIGHT650=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS651=117,179the atoms involved in each of the contacts you wish to calculateSWITCH651={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5992237329483032}The switching functions to use for each of the contacts in your mapWEIGHT651=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS652=117,202the atoms involved in each of the contacts you wish to calculateSWITCH652={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5911928415298462}The switching functions to use for each of the contacts in your mapWEIGHT652=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS653=117,2405the atoms involved in each of the contacts you wish to calculateSWITCH653={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5600178241729736}The switching functions to use for each of the contacts in your mapWEIGHT653=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS654=117,2406the atoms involved in each of the contacts you wish to calculateSWITCH654={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48852837085723877}The switching functions to use for each of the contacts in your mapWEIGHT654=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS655=117,2407the atoms involved in each of the contacts you wish to calculateSWITCH655={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5545331239700317}The switching functions to use for each of the contacts in your mapWEIGHT655=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS656=117,2464the atoms involved in each of the contacts you wish to calculateSWITCH656={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.599036693572998}The switching functions to use for each of the contacts in your mapWEIGHT656=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS657=117,2469the atoms involved in each of the contacts you wish to calculateSWITCH657={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48234525322914124}The switching functions to use for each of the contacts in your mapWEIGHT657=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS658=117,2471the atoms involved in each of the contacts you wish to calculateSWITCH658={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3893391489982605}The switching functions to use for each of the contacts in your mapWEIGHT658=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS659=117,2473the atoms involved in each of the contacts you wish to calculateSWITCH659={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4632968604564667}The switching functions to use for each of the contacts in your mapWEIGHT659=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS660=118,179the atoms involved in each of the contacts you wish to calculateSWITCH660={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5725215673446655}The switching functions to use for each of the contacts in your mapWEIGHT660=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS661=118,2405the atoms involved in each of the contacts you wish to calculateSWITCH661={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5134919881820679}The switching functions to use for each of the contacts in your mapWEIGHT661=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS662=118,2406the atoms involved in each of the contacts you wish to calculateSWITCH662={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4585128128528595}The switching functions to use for each of the contacts in your mapWEIGHT662=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS663=118,2407the atoms involved in each of the contacts you wish to calculateSWITCH663={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48357105255126953}The switching functions to use for each of the contacts in your mapWEIGHT663=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS664=118,2469the atoms involved in each of the contacts you wish to calculateSWITCH664={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5753198862075806}The switching functions to use for each of the contacts in your mapWEIGHT664=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS665=118,2471the atoms involved in each of the contacts you wish to calculateSWITCH665={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4712313711643219}The switching functions to use for each of the contacts in your mapWEIGHT665=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS666=118,2473the atoms involved in each of the contacts you wish to calculateSWITCH666={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5270275473594666}The switching functions to use for each of the contacts in your mapWEIGHT666=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS667=119,2405the atoms involved in each of the contacts you wish to calculateSWITCH667={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5429852604866028}The switching functions to use for each of the contacts in your mapWEIGHT667=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS668=119,2406the atoms involved in each of the contacts you wish to calculateSWITCH668={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4753367304801941}The switching functions to use for each of the contacts in your mapWEIGHT668=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS669=119,2407the atoms involved in each of the contacts you wish to calculateSWITCH669={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5533841252326965}The switching functions to use for each of the contacts in your mapWEIGHT669=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS670=119,2461the atoms involved in each of the contacts you wish to calculateSWITCH670={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5980861186981201}The switching functions to use for each of the contacts in your mapWEIGHT670=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS671=119,2464the atoms involved in each of the contacts you wish to calculateSWITCH671={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5031143426895142}The switching functions to use for each of the contacts in your mapWEIGHT671=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS672=119,2465the atoms involved in each of the contacts you wish to calculateSWITCH672={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742420554161072}The switching functions to use for each of the contacts in your mapWEIGHT672=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS673=119,2467the atoms involved in each of the contacts you wish to calculateSWITCH673={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5405709743499756}The switching functions to use for each of the contacts in your mapWEIGHT673=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS674=119,2469the atoms involved in each of the contacts you wish to calculateSWITCH674={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42132169008255005}The switching functions to use for each of the contacts in your mapWEIGHT674=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS675=119,2471the atoms involved in each of the contacts you wish to calculateSWITCH675={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31658488512039185}The switching functions to use for each of the contacts in your mapWEIGHT675=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS676=119,2473the atoms involved in each of the contacts you wish to calculateSWITCH676={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37147951126098633}The switching functions to use for each of the contacts in your mapWEIGHT676=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS677=121,2402the atoms involved in each of the contacts you wish to calculateSWITCH677={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677719712257385}The switching functions to use for each of the contacts in your mapWEIGHT677=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS678=121,2405the atoms involved in each of the contacts you wish to calculateSWITCH678={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4641648232936859}The switching functions to use for each of the contacts in your mapWEIGHT678=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS679=121,2406the atoms involved in each of the contacts you wish to calculateSWITCH679={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42397287487983704}The switching functions to use for each of the contacts in your mapWEIGHT679=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS680=121,2407the atoms involved in each of the contacts you wish to calculateSWITCH680={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4678739607334137}The switching functions to use for each of the contacts in your mapWEIGHT680=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS681=121,2461the atoms involved in each of the contacts you wish to calculateSWITCH681={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5424177646636963}The switching functions to use for each of the contacts in your mapWEIGHT681=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS682=121,2464the atoms involved in each of the contacts you wish to calculateSWITCH682={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48143327236175537}The switching functions to use for each of the contacts in your mapWEIGHT682=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS683=121,2465the atoms involved in each of the contacts you wish to calculateSWITCH683={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5813415050506592}The switching functions to use for each of the contacts in your mapWEIGHT683=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS684=121,2467the atoms involved in each of the contacts you wish to calculateSWITCH684={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5821623206138611}The switching functions to use for each of the contacts in your mapWEIGHT684=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS685=121,2469the atoms involved in each of the contacts you wish to calculateSWITCH685={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48360514640808105}The switching functions to use for each of the contacts in your mapWEIGHT685=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS686=121,2471the atoms involved in each of the contacts you wish to calculateSWITCH686={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35693132877349854}The switching functions to use for each of the contacts in your mapWEIGHT686=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS687=121,2473the atoms involved in each of the contacts you wish to calculateSWITCH687={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35541102290153503}The switching functions to use for each of the contacts in your mapWEIGHT687=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS688=123,661the atoms involved in each of the contacts you wish to calculateSWITCH688={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.583627462387085}The switching functions to use for each of the contacts in your mapWEIGHT688=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS689=123,663the atoms involved in each of the contacts you wish to calculateSWITCH689={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5668306350708008}The switching functions to use for each of the contacts in your mapWEIGHT689=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS690=123,2405the atoms involved in each of the contacts you wish to calculateSWITCH690={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5454767942428589}The switching functions to use for each of the contacts in your mapWEIGHT690=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS691=123,2406the atoms involved in each of the contacts you wish to calculateSWITCH691={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5120947360992432}The switching functions to use for each of the contacts in your mapWEIGHT691=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS692=123,2407the atoms involved in each of the contacts you wish to calculateSWITCH692={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5656270980834961}The switching functions to use for each of the contacts in your mapWEIGHT692=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS693=123,2461the atoms involved in each of the contacts you wish to calculateSWITCH693={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4811849892139435}The switching functions to use for each of the contacts in your mapWEIGHT693=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS694=123,2464the atoms involved in each of the contacts you wish to calculateSWITCH694={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43787670135498047}The switching functions to use for each of the contacts in your mapWEIGHT694=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS695=123,2465the atoms involved in each of the contacts you wish to calculateSWITCH695={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5374699831008911}The switching functions to use for each of the contacts in your mapWEIGHT695=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS696=123,2467the atoms involved in each of the contacts you wish to calculateSWITCH696={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5571364164352417}The switching functions to use for each of the contacts in your mapWEIGHT696=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS697=123,2469the atoms involved in each of the contacts you wish to calculateSWITCH697={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4847225546836853}The switching functions to use for each of the contacts in your mapWEIGHT697=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS698=123,2471the atoms involved in each of the contacts you wish to calculateSWITCH698={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3708287477493286}The switching functions to use for each of the contacts in your mapWEIGHT698=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS699=123,2473the atoms involved in each of the contacts you wish to calculateSWITCH699={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34039536118507385}The switching functions to use for each of the contacts in your mapWEIGHT699=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS700=123,2559the atoms involved in each of the contacts you wish to calculateSWITCH700={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.56861412525177}The switching functions to use for each of the contacts in your mapWEIGHT700=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS701=123,2611the atoms involved in each of the contacts you wish to calculateSWITCH701={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5767199993133545}The switching functions to use for each of the contacts in your mapWEIGHT701=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS702=126,661the atoms involved in each of the contacts you wish to calculateSWITCH702={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47467565536499023}The switching functions to use for each of the contacts in your mapWEIGHT702=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS703=126,663the atoms involved in each of the contacts you wish to calculateSWITCH703={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4504053592681885}The switching functions to use for each of the contacts in your mapWEIGHT703=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS704=126,665the atoms involved in each of the contacts you wish to calculateSWITCH704={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681434273719788}The switching functions to use for each of the contacts in your mapWEIGHT704=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS705=126,666the atoms involved in each of the contacts you wish to calculateSWITCH705={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.598112940788269}The switching functions to use for each of the contacts in your mapWEIGHT705=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS706=126,706the atoms involved in each of the contacts you wish to calculateSWITCH706={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5607174038887024}The switching functions to use for each of the contacts in your mapWEIGHT706=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS707=126,2402the atoms involved in each of the contacts you wish to calculateSWITCH707={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.585034191608429}The switching functions to use for each of the contacts in your mapWEIGHT707=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS708=126,2405the atoms involved in each of the contacts you wish to calculateSWITCH708={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5412956476211548}The switching functions to use for each of the contacts in your mapWEIGHT708=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS709=126,2406the atoms involved in each of the contacts you wish to calculateSWITCH709={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5400379300117493}The switching functions to use for each of the contacts in your mapWEIGHT709=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS710=126,2407the atoms involved in each of the contacts you wish to calculateSWITCH710={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5547774434089661}The switching functions to use for each of the contacts in your mapWEIGHT710=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS711=126,2461the atoms involved in each of the contacts you wish to calculateSWITCH711={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4800718426704407}The switching functions to use for each of the contacts in your mapWEIGHT711=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS712=126,2464the atoms involved in each of the contacts you wish to calculateSWITCH712={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48484012484550476}The switching functions to use for each of the contacts in your mapWEIGHT712=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS713=126,2471the atoms involved in each of the contacts you wish to calculateSWITCH713={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48280009627342224}The switching functions to use for each of the contacts in your mapWEIGHT713=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS714=126,2473the atoms involved in each of the contacts you wish to calculateSWITCH714={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4129951298236847}The switching functions to use for each of the contacts in your mapWEIGHT714=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS715=126,2559the atoms involved in each of the contacts you wish to calculateSWITCH715={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46313712000846863}The switching functions to use for each of the contacts in your mapWEIGHT715=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS716=126,2607the atoms involved in each of the contacts you wish to calculateSWITCH716={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5917879939079285}The switching functions to use for each of the contacts in your mapWEIGHT716=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS717=126,2611the atoms involved in each of the contacts you wish to calculateSWITCH717={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5339606404304504}The switching functions to use for each of the contacts in your mapWEIGHT717=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS718=128,655the atoms involved in each of the contacts you wish to calculateSWITCH718={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5369115471839905}The switching functions to use for each of the contacts in your mapWEIGHT718=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS719=128,657the atoms involved in each of the contacts you wish to calculateSWITCH719={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5385369062423706}The switching functions to use for each of the contacts in your mapWEIGHT719=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS720=128,660the atoms involved in each of the contacts you wish to calculateSWITCH720={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48818641901016235}The switching functions to use for each of the contacts in your mapWEIGHT720=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS721=128,661the atoms involved in each of the contacts you wish to calculateSWITCH721={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36455586552619934}The switching functions to use for each of the contacts in your mapWEIGHT721=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS722=128,663the atoms involved in each of the contacts you wish to calculateSWITCH722={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3804852366447449}The switching functions to use for each of the contacts in your mapWEIGHT722=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS723=128,665the atoms involved in each of the contacts you wish to calculateSWITCH723={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5121044516563416}The switching functions to use for each of the contacts in your mapWEIGHT723=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS724=128,666the atoms involved in each of the contacts you wish to calculateSWITCH724={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5754189491271973}The switching functions to use for each of the contacts in your mapWEIGHT724=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS725=128,670the atoms involved in each of the contacts you wish to calculateSWITCH725={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5958170890808105}The switching functions to use for each of the contacts in your mapWEIGHT725=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS726=128,704the atoms involved in each of the contacts you wish to calculateSWITCH726={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5308210849761963}The switching functions to use for each of the contacts in your mapWEIGHT726=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS727=128,706the atoms involved in each of the contacts you wish to calculateSWITCH727={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5229990482330322}The switching functions to use for each of the contacts in your mapWEIGHT727=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS728=128,710the atoms involved in each of the contacts you wish to calculateSWITCH728={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5271403789520264}The switching functions to use for each of the contacts in your mapWEIGHT728=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS729=128,2473the atoms involved in each of the contacts you wish to calculateSWITCH729={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5575060248374939}The switching functions to use for each of the contacts in your mapWEIGHT729=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS730=128,2559the atoms involved in each of the contacts you wish to calculateSWITCH730={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.556650698184967}The switching functions to use for each of the contacts in your mapWEIGHT730=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS731=132,661the atoms involved in each of the contacts you wish to calculateSWITCH731={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5624464154243469}The switching functions to use for each of the contacts in your mapWEIGHT731=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS732=132,663the atoms involved in each of the contacts you wish to calculateSWITCH732={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5361809134483337}The switching functions to use for each of the contacts in your mapWEIGHT732=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS733=132,704the atoms involved in each of the contacts you wish to calculateSWITCH733={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5597624778747559}The switching functions to use for each of the contacts in your mapWEIGHT733=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS734=132,706the atoms involved in each of the contacts you wish to calculateSWITCH734={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4905802607536316}The switching functions to use for each of the contacts in your mapWEIGHT734=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS735=132,710the atoms involved in each of the contacts you wish to calculateSWITCH735={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5510008931159973}The switching functions to use for each of the contacts in your mapWEIGHT735=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS736=132,2392the atoms involved in each of the contacts you wish to calculateSWITCH736={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5810627937316895}The switching functions to use for each of the contacts in your mapWEIGHT736=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS737=132,2396the atoms involved in each of the contacts you wish to calculateSWITCH737={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5445163249969482}The switching functions to use for each of the contacts in your mapWEIGHT737=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS738=132,2397the atoms involved in each of the contacts you wish to calculateSWITCH738={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4936162829399109}The switching functions to use for each of the contacts in your mapWEIGHT738=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS739=132,2398the atoms involved in each of the contacts you wish to calculateSWITCH739={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5803240537643433}The switching functions to use for each of the contacts in your mapWEIGHT739=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS740=132,2400the atoms involved in each of the contacts you wish to calculateSWITCH740={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5698674917221069}The switching functions to use for each of the contacts in your mapWEIGHT740=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS741=132,2402the atoms involved in each of the contacts you wish to calculateSWITCH741={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4398067891597748}The switching functions to use for each of the contacts in your mapWEIGHT741=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS742=132,2405the atoms involved in each of the contacts you wish to calculateSWITCH742={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41261357069015503}The switching functions to use for each of the contacts in your mapWEIGHT742=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS743=132,2406the atoms involved in each of the contacts you wish to calculateSWITCH743={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43200233578681946}The switching functions to use for each of the contacts in your mapWEIGHT743=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS744=132,2407the atoms involved in each of the contacts you wish to calculateSWITCH744={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4327274560928345}The switching functions to use for each of the contacts in your mapWEIGHT744=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS745=132,2457the atoms involved in each of the contacts you wish to calculateSWITCH745={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5700262784957886}The switching functions to use for each of the contacts in your mapWEIGHT745=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS746=132,2459the atoms involved in each of the contacts you wish to calculateSWITCH746={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5530361533164978}The switching functions to use for each of the contacts in your mapWEIGHT746=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS747=132,2461the atoms involved in each of the contacts you wish to calculateSWITCH747={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.433815598487854}The switching functions to use for each of the contacts in your mapWEIGHT747=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS748=132,2464the atoms involved in each of the contacts you wish to calculateSWITCH748={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4616870880126953}The switching functions to use for each of the contacts in your mapWEIGHT748=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS749=132,2465the atoms involved in each of the contacts you wish to calculateSWITCH749={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5949192643165588}The switching functions to use for each of the contacts in your mapWEIGHT749=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS750=132,2471the atoms involved in each of the contacts you wish to calculateSWITCH750={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4860956072807312}The switching functions to use for each of the contacts in your mapWEIGHT750=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS751=132,2473the atoms involved in each of the contacts you wish to calculateSWITCH751={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3930674195289612}The switching functions to use for each of the contacts in your mapWEIGHT751=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS752=132,2475the atoms involved in each of the contacts you wish to calculateSWITCH752={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5837576985359192}The switching functions to use for each of the contacts in your mapWEIGHT752=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS753=132,2476the atoms involved in each of the contacts you wish to calculateSWITCH753={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5831552147865295}The switching functions to use for each of the contacts in your mapWEIGHT753=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS754=132,2553the atoms involved in each of the contacts you wish to calculateSWITCH754={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5572898983955383}The switching functions to use for each of the contacts in your mapWEIGHT754=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS755=132,2555the atoms involved in each of the contacts you wish to calculateSWITCH755={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5858139395713806}The switching functions to use for each of the contacts in your mapWEIGHT755=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS756=132,2559the atoms involved in each of the contacts you wish to calculateSWITCH756={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4155297577381134}The switching functions to use for each of the contacts in your mapWEIGHT756=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS757=136,2405the atoms involved in each of the contacts you wish to calculateSWITCH757={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5009769797325134}The switching functions to use for each of the contacts in your mapWEIGHT757=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS758=136,2406the atoms involved in each of the contacts you wish to calculateSWITCH758={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49009591341018677}The switching functions to use for each of the contacts in your mapWEIGHT758=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS759=136,2407the atoms involved in each of the contacts you wish to calculateSWITCH759={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4630172550678253}The switching functions to use for each of the contacts in your mapWEIGHT759=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS760=136,2471the atoms involved in each of the contacts you wish to calculateSWITCH760={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5069782733917236}The switching functions to use for each of the contacts in your mapWEIGHT760=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS761=136,2473the atoms involved in each of the contacts you wish to calculateSWITCH761={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5023922920227051}The switching functions to use for each of the contacts in your mapWEIGHT761=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS762=137,710the atoms involved in each of the contacts you wish to calculateSWITCH762={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5412217378616333}The switching functions to use for each of the contacts in your mapWEIGHT762=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS763=137,2397the atoms involved in each of the contacts you wish to calculateSWITCH763={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4977770745754242}The switching functions to use for each of the contacts in your mapWEIGHT763=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS764=137,2402the atoms involved in each of the contacts you wish to calculateSWITCH764={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5532748699188232}The switching functions to use for each of the contacts in your mapWEIGHT764=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS765=137,2405the atoms involved in each of the contacts you wish to calculateSWITCH765={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45633432269096375}The switching functions to use for each of the contacts in your mapWEIGHT765=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS766=137,2406the atoms involved in each of the contacts you wish to calculateSWITCH766={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47615230083465576}The switching functions to use for each of the contacts in your mapWEIGHT766=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS767=137,2407the atoms involved in each of the contacts you wish to calculateSWITCH767={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39793720841407776}The switching functions to use for each of the contacts in your mapWEIGHT767=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS768=137,2471the atoms involved in each of the contacts you wish to calculateSWITCH768={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.580668568611145}The switching functions to use for each of the contacts in your mapWEIGHT768=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS769=137,2473the atoms involved in each of the contacts you wish to calculateSWITCH769={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5525912046432495}The switching functions to use for each of the contacts in your mapWEIGHT769=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS770=138,2407the atoms involved in each of the contacts you wish to calculateSWITCH770={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5729153752326965}The switching functions to use for each of the contacts in your mapWEIGHT770=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS771=138,2471the atoms involved in each of the contacts you wish to calculateSWITCH771={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5755744576454163}The switching functions to use for each of the contacts in your mapWEIGHT771=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS772=138,2473the atoms involved in each of the contacts you wish to calculateSWITCH772={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5954519510269165}The switching functions to use for each of the contacts in your mapWEIGHT772=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS773=140,635the atoms involved in each of the contacts you wish to calculateSWITCH773={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5966464877128601}The switching functions to use for each of the contacts in your mapWEIGHT773=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS774=140,638the atoms involved in each of the contacts you wish to calculateSWITCH774={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.514513373374939}The switching functions to use for each of the contacts in your mapWEIGHT774=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS775=142,593the atoms involved in each of the contacts you wish to calculateSWITCH775={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5753486156463623}The switching functions to use for each of the contacts in your mapWEIGHT775=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS776=142,600the atoms involved in each of the contacts you wish to calculateSWITCH776={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5595864653587341}The switching functions to use for each of the contacts in your mapWEIGHT776=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS777=142,635the atoms involved in each of the contacts you wish to calculateSWITCH777={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.504235029220581}The switching functions to use for each of the contacts in your mapWEIGHT777=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS778=142,638the atoms involved in each of the contacts you wish to calculateSWITCH778={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4558749496936798}The switching functions to use for each of the contacts in your mapWEIGHT778=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS779=142,641the atoms involved in each of the contacts you wish to calculateSWITCH779={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5888454914093018}The switching functions to use for each of the contacts in your mapWEIGHT779=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS780=142,651the atoms involved in each of the contacts you wish to calculateSWITCH780={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5784652233123779}The switching functions to use for each of the contacts in your mapWEIGHT780=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS781=142,653the atoms involved in each of the contacts you wish to calculateSWITCH781={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432862639427185}The switching functions to use for each of the contacts in your mapWEIGHT781=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS782=142,655the atoms involved in each of the contacts you wish to calculateSWITCH782={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5629262924194336}The switching functions to use for each of the contacts in your mapWEIGHT782=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS783=142,657the atoms involved in each of the contacts you wish to calculateSWITCH783={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5726604461669922}The switching functions to use for each of the contacts in your mapWEIGHT783=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS784=142,661the atoms involved in each of the contacts you wish to calculateSWITCH784={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5716458559036255}The switching functions to use for each of the contacts in your mapWEIGHT784=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS785=145,589the atoms involved in each of the contacts you wish to calculateSWITCH785={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5833532214164734}The switching functions to use for each of the contacts in your mapWEIGHT785=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS786=145,593the atoms involved in each of the contacts you wish to calculateSWITCH786={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5673359036445618}The switching functions to use for each of the contacts in your mapWEIGHT786=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS787=145,599the atoms involved in each of the contacts you wish to calculateSWITCH787={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5773118734359741}The switching functions to use for each of the contacts in your mapWEIGHT787=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS788=145,600the atoms involved in each of the contacts you wish to calculateSWITCH788={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4823722839355469}The switching functions to use for each of the contacts in your mapWEIGHT788=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS789=145,631the atoms involved in each of the contacts you wish to calculateSWITCH789={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5606371164321899}The switching functions to use for each of the contacts in your mapWEIGHT789=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS790=145,633the atoms involved in each of the contacts you wish to calculateSWITCH790={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.473744660615921}The switching functions to use for each of the contacts in your mapWEIGHT790=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS791=145,635the atoms involved in each of the contacts you wish to calculateSWITCH791={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3561699092388153}The switching functions to use for each of the contacts in your mapWEIGHT791=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS792=145,638the atoms involved in each of the contacts you wish to calculateSWITCH792={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31291210651397705}The switching functions to use for each of the contacts in your mapWEIGHT792=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS793=145,641the atoms involved in each of the contacts you wish to calculateSWITCH793={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4513324201107025}The switching functions to use for each of the contacts in your mapWEIGHT793=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS794=145,644the atoms involved in each of the contacts you wish to calculateSWITCH794={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181524753570557}The switching functions to use for each of the contacts in your mapWEIGHT794=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS795=145,651the atoms involved in each of the contacts you wish to calculateSWITCH795={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4631156027317047}The switching functions to use for each of the contacts in your mapWEIGHT795=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS796=145,652the atoms involved in each of the contacts you wish to calculateSWITCH796={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5169845819473267}The switching functions to use for each of the contacts in your mapWEIGHT796=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS797=145,653the atoms involved in each of the contacts you wish to calculateSWITCH797={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44771644473075867}The switching functions to use for each of the contacts in your mapWEIGHT797=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS798=145,655the atoms involved in each of the contacts you wish to calculateSWITCH798={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5014837980270386}The switching functions to use for each of the contacts in your mapWEIGHT798=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS799=145,657the atoms involved in each of the contacts you wish to calculateSWITCH799={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5366581678390503}The switching functions to use for each of the contacts in your mapWEIGHT799=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS800=145,661the atoms involved in each of the contacts you wish to calculateSWITCH800={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.591547966003418}The switching functions to use for each of the contacts in your mapWEIGHT800=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS801=148,586the atoms involved in each of the contacts you wish to calculateSWITCH801={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5851478576660156}The switching functions to use for each of the contacts in your mapWEIGHT801=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS802=148,589the atoms involved in each of the contacts you wish to calculateSWITCH802={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5266127586364746}The switching functions to use for each of the contacts in your mapWEIGHT802=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS803=148,591the atoms involved in each of the contacts you wish to calculateSWITCH803={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5845117568969727}The switching functions to use for each of the contacts in your mapWEIGHT803=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS804=148,593the atoms involved in each of the contacts you wish to calculateSWITCH804={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5489025115966797}The switching functions to use for each of the contacts in your mapWEIGHT804=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS805=148,597the atoms involved in each of the contacts you wish to calculateSWITCH805={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5936741232872009}The switching functions to use for each of the contacts in your mapWEIGHT805=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS806=148,599the atoms involved in each of the contacts you wish to calculateSWITCH806={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5638980269432068}The switching functions to use for each of the contacts in your mapWEIGHT806=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS807=148,600the atoms involved in each of the contacts you wish to calculateSWITCH807={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.498263955116272}The switching functions to use for each of the contacts in your mapWEIGHT807=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS808=148,631the atoms involved in each of the contacts you wish to calculateSWITCH808={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5708502531051636}The switching functions to use for each of the contacts in your mapWEIGHT808=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS809=148,633the atoms involved in each of the contacts you wish to calculateSWITCH809={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5090245604515076}The switching functions to use for each of the contacts in your mapWEIGHT809=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS810=148,635the atoms involved in each of the contacts you wish to calculateSWITCH810={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3640727698802948}The switching functions to use for each of the contacts in your mapWEIGHT810=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS811=148,638the atoms involved in each of the contacts you wish to calculateSWITCH811={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3496197760105133}The switching functions to use for each of the contacts in your mapWEIGHT811=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS812=148,641the atoms involved in each of the contacts you wish to calculateSWITCH812={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46827876567840576}The switching functions to use for each of the contacts in your mapWEIGHT812=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS813=148,644the atoms involved in each of the contacts you wish to calculateSWITCH813={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739599466323853}The switching functions to use for each of the contacts in your mapWEIGHT813=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS814=148,651the atoms involved in each of the contacts you wish to calculateSWITCH814={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.548649251461029}The switching functions to use for each of the contacts in your mapWEIGHT814=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS815=148,653the atoms involved in each of the contacts you wish to calculateSWITCH815={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5425181984901428}The switching functions to use for each of the contacts in your mapWEIGHT815=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS816=149,531the atoms involved in each of the contacts you wish to calculateSWITCH816={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5139853954315186}The switching functions to use for each of the contacts in your mapWEIGHT816=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS817=149,585the atoms involved in each of the contacts you wish to calculateSWITCH817={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5138764381408691}The switching functions to use for each of the contacts in your mapWEIGHT817=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS818=149,586the atoms involved in each of the contacts you wish to calculateSWITCH818={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4839121997356415}The switching functions to use for each of the contacts in your mapWEIGHT818=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS819=149,587the atoms involved in each of the contacts you wish to calculateSWITCH819={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4685584306716919}The switching functions to use for each of the contacts in your mapWEIGHT819=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS820=149,589the atoms involved in each of the contacts you wish to calculateSWITCH820={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3639972507953644}The switching functions to use for each of the contacts in your mapWEIGHT820=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS821=149,591the atoms involved in each of the contacts you wish to calculateSWITCH821={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40668785572052}The switching functions to use for each of the contacts in your mapWEIGHT821=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS822=149,593the atoms involved in each of the contacts you wish to calculateSWITCH822={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37818124890327454}The switching functions to use for each of the contacts in your mapWEIGHT822=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS823=149,597the atoms involved in each of the contacts you wish to calculateSWITCH823={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4173128306865692}The switching functions to use for each of the contacts in your mapWEIGHT823=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS824=149,599the atoms involved in each of the contacts you wish to calculateSWITCH824={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4217131733894348}The switching functions to use for each of the contacts in your mapWEIGHT824=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS825=149,600the atoms involved in each of the contacts you wish to calculateSWITCH825={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38097506761550903}The switching functions to use for each of the contacts in your mapWEIGHT825=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS826=149,601the atoms involved in each of the contacts you wish to calculateSWITCH826={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5538934469223022}The switching functions to use for each of the contacts in your mapWEIGHT826=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS827=149,631the atoms involved in each of the contacts you wish to calculateSWITCH827={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5531103610992432}The switching functions to use for each of the contacts in your mapWEIGHT827=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS828=149,633the atoms involved in each of the contacts you wish to calculateSWITCH828={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.533577561378479}The switching functions to use for each of the contacts in your mapWEIGHT828=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS829=149,635the atoms involved in each of the contacts you wish to calculateSWITCH829={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41118124127388}The switching functions to use for each of the contacts in your mapWEIGHT829=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS830=149,638the atoms involved in each of the contacts you wish to calculateSWITCH830={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45584315061569214}The switching functions to use for each of the contacts in your mapWEIGHT830=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS831=149,641the atoms involved in each of the contacts you wish to calculateSWITCH831={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5872954726219177}The switching functions to use for each of the contacts in your mapWEIGHT831=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS832=149,651the atoms involved in each of the contacts you wish to calculateSWITCH832={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5711576342582703}The switching functions to use for each of the contacts in your mapWEIGHT832=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS833=149,653the atoms involved in each of the contacts you wish to calculateSWITCH833={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5299537777900696}The switching functions to use for each of the contacts in your mapWEIGHT833=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS834=153,638the atoms involved in each of the contacts you wish to calculateSWITCH834={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5644378066062927}The switching functions to use for each of the contacts in your mapWEIGHT834=0.0011976047904191617A weight value for a given contact, by default is 1ATOMS835=154,213the atoms involved in each of the contacts you wish to calculateSWITCH835={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5944316387176514}The switching functions to use for each of the contacts in your mapWEIGHT835=0.0011976047904191617A 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 actionsqSUMcalculate the sum of all the contacts in the inputNOPBC... CONTACTMAPignore the periodic boundary conditions when calculating distancesCONTACTMAP...Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More detailsATOMS1=73,589the atoms involved in each of the contacts you wish to calculateSWITCH1={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8583630323410034}The switching functions to use for each of the contacts in your mapWEIGHT1=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS2=73,591the atoms involved in each of the contacts you wish to calculateSWITCH2={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.78587406873703}The switching functions to use for each of the contacts in your mapWEIGHT2=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS3=73,593the atoms involved in each of the contacts you wish to calculateSWITCH3={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6383212208747864}The switching functions to use for each of the contacts in your mapWEIGHT3=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS4=73,597the atoms involved in each of the contacts you wish to calculateSWITCH4={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8167759776115417}The switching functions to use for each of the contacts in your mapWEIGHT4=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS5=73,655the atoms involved in each of the contacts you wish to calculateSWITCH5={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8182469010353088}The switching functions to use for each of the contacts in your mapWEIGHT5=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS6=73,657the atoms involved in each of the contacts you wish to calculateSWITCH6={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7383589744567871}The switching functions to use for each of the contacts in your mapWEIGHT6=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS7=73,660the atoms involved in each of the contacts you wish to calculateSWITCH7={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.695883572101593}The switching functions to use for each of the contacts in your mapWEIGHT7=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS8=73,661the atoms involved in each of the contacts you wish to calculateSWITCH8={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6310158371925354}The switching functions to use for each of the contacts in your mapWEIGHT8=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS9=73,663the atoms involved in each of the contacts you wish to calculateSWITCH9={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6347385048866272}The switching functions to use for each of the contacts in your mapWEIGHT9=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS10=73,665the atoms involved in each of the contacts you wish to calculateSWITCH10={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7010770440101624}The switching functions to use for each of the contacts in your mapWEIGHT10=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS11=73,666the atoms involved in each of the contacts you wish to calculateSWITCH11={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7429704070091248}The switching functions to use for each of the contacts in your mapWEIGHT11=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS12=73,668the atoms involved in each of the contacts you wish to calculateSWITCH12={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7599328756332397}The switching functions to use for each of the contacts in your mapWEIGHT12=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS13=73,670the atoms involved in each of the contacts you wish to calculateSWITCH13={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7565619945526123}The switching functions to use for each of the contacts in your mapWEIGHT13=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS14=73,2603the atoms involved in each of the contacts you wish to calculateSWITCH14={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7390270829200745}The switching functions to use for each of the contacts in your mapWEIGHT14=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS15=73,2605the atoms involved in each of the contacts you wish to calculateSWITCH15={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6524736881256104}The switching functions to use for each of the contacts in your mapWEIGHT15=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS16=73,2607the atoms involved in each of the contacts you wish to calculateSWITCH16={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5406893491744995}The switching functions to use for each of the contacts in your mapWEIGHT16=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS17=73,2611the atoms involved in each of the contacts you wish to calculateSWITCH17={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6260606646537781}The switching functions to use for each of the contacts in your mapWEIGHT17=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS18=73,2650the atoms involved in each of the contacts you wish to calculateSWITCH18={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9414849877357483}The switching functions to use for each of the contacts in your mapWEIGHT18=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS19=73,2652the atoms involved in each of the contacts you wish to calculateSWITCH19={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8192837834358215}The switching functions to use for each of the contacts in your mapWEIGHT19=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS20=73,2655the atoms involved in each of the contacts you wish to calculateSWITCH20={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8744701147079468}The switching functions to use for each of the contacts in your mapWEIGHT20=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS21=73,2658the atoms involved in each of the contacts you wish to calculateSWITCH21={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9776241779327393}The switching functions to use for each of the contacts in your mapWEIGHT21=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS22=73,2659the atoms involved in each of the contacts you wish to calculateSWITCH22={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.090904712677002}The switching functions to use for each of the contacts in your mapWEIGHT22=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS23=73,2660the atoms involved in each of the contacts you wish to calculateSWITCH23={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9545978307723999}The switching functions to use for each of the contacts in your mapWEIGHT23=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS24=73,2667the atoms involved in each of the contacts you wish to calculateSWITCH24={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.954234778881073}The switching functions to use for each of the contacts in your mapWEIGHT24=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS25=73,2669the atoms involved in each of the contacts you wish to calculateSWITCH25={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9673064947128296}The switching functions to use for each of the contacts in your mapWEIGHT25=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS26=73,2672the atoms involved in each of the contacts you wish to calculateSWITCH26={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8627659678459167}The switching functions to use for each of the contacts in your mapWEIGHT26=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS27=73,2675the atoms involved in each of the contacts you wish to calculateSWITCH27={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8941107392311096}The switching functions to use for each of the contacts in your mapWEIGHT27=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS28=73,2678the atoms involved in each of the contacts you wish to calculateSWITCH28={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7938815951347351}The switching functions to use for each of the contacts in your mapWEIGHT28=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS29=73,2680the atoms involved in each of the contacts you wish to calculateSWITCH29={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8136012554168701}The switching functions to use for each of the contacts in your mapWEIGHT29=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS30=73,2681the atoms involved in each of the contacts you wish to calculateSWITCH30={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9231305718421936}The switching functions to use for each of the contacts in your mapWEIGHT30=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS31=73,2684the atoms involved in each of the contacts you wish to calculateSWITCH31={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.746406078338623}The switching functions to use for each of the contacts in your mapWEIGHT31=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS32=75,589the atoms involved in each of the contacts you wish to calculateSWITCH32={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7799500226974487}The switching functions to use for each of the contacts in your mapWEIGHT32=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS33=75,591the atoms involved in each of the contacts you wish to calculateSWITCH33={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6888490915298462}The switching functions to use for each of the contacts in your mapWEIGHT33=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS34=75,593the atoms involved in each of the contacts you wish to calculateSWITCH34={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5409870743751526}The switching functions to use for each of the contacts in your mapWEIGHT34=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS35=75,597the atoms involved in each of the contacts you wish to calculateSWITCH35={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7219820618629456}The switching functions to use for each of the contacts in your mapWEIGHT35=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS36=75,655the atoms involved in each of the contacts you wish to calculateSWITCH36={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8145925402641296}The switching functions to use for each of the contacts in your mapWEIGHT36=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS37=75,657the atoms involved in each of the contacts you wish to calculateSWITCH37={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7125959396362305}The switching functions to use for each of the contacts in your mapWEIGHT37=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS38=75,660the atoms involved in each of the contacts you wish to calculateSWITCH38={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6762683987617493}The switching functions to use for each of the contacts in your mapWEIGHT38=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS39=75,661the atoms involved in each of the contacts you wish to calculateSWITCH39={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6399641036987305}The switching functions to use for each of the contacts in your mapWEIGHT39=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS40=75,663the atoms involved in each of the contacts you wish to calculateSWITCH40={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6513263583183289}The switching functions to use for each of the contacts in your mapWEIGHT40=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS41=75,665the atoms involved in each of the contacts you wish to calculateSWITCH41={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6956766843795776}The switching functions to use for each of the contacts in your mapWEIGHT41=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS42=75,666the atoms involved in each of the contacts you wish to calculateSWITCH42={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7442620396614075}The switching functions to use for each of the contacts in your mapWEIGHT42=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS43=75,668the atoms involved in each of the contacts you wish to calculateSWITCH43={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7290987968444824}The switching functions to use for each of the contacts in your mapWEIGHT43=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS44=75,670the atoms involved in each of the contacts you wish to calculateSWITCH44={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7189861536026001}The switching functions to use for each of the contacts in your mapWEIGHT44=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS45=75,2603the atoms involved in each of the contacts you wish to calculateSWITCH45={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.733450710773468}The switching functions to use for each of the contacts in your mapWEIGHT45=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS46=75,2605the atoms involved in each of the contacts you wish to calculateSWITCH46={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6598825454711914}The switching functions to use for each of the contacts in your mapWEIGHT46=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS47=75,2607the atoms involved in each of the contacts you wish to calculateSWITCH47={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5272703766822815}The switching functions to use for each of the contacts in your mapWEIGHT47=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS48=75,2611the atoms involved in each of the contacts you wish to calculateSWITCH48={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6685484051704407}The switching functions to use for each of the contacts in your mapWEIGHT48=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS49=75,2650the atoms involved in each of the contacts you wish to calculateSWITCH49={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8497217297554016}The switching functions to use for each of the contacts in your mapWEIGHT49=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS50=75,2652the atoms involved in each of the contacts you wish to calculateSWITCH50={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7347999215126038}The switching functions to use for each of the contacts in your mapWEIGHT50=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS51=75,2655the atoms involved in each of the contacts you wish to calculateSWITCH51={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8019307851791382}The switching functions to use for each of the contacts in your mapWEIGHT51=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS52=75,2658the atoms involved in each of the contacts you wish to calculateSWITCH52={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9192942976951599}The switching functions to use for each of the contacts in your mapWEIGHT52=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS53=75,2659the atoms involved in each of the contacts you wish to calculateSWITCH53={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0309336185455322}The switching functions to use for each of the contacts in your mapWEIGHT53=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS54=75,2660the atoms involved in each of the contacts you wish to calculateSWITCH54={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9103812575340271}The switching functions to use for each of the contacts in your mapWEIGHT54=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS55=75,2667the atoms involved in each of the contacts you wish to calculateSWITCH55={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8321952819824219}The switching functions to use for each of the contacts in your mapWEIGHT55=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS56=75,2669the atoms involved in each of the contacts you wish to calculateSWITCH56={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8536984920501709}The switching functions to use for each of the contacts in your mapWEIGHT56=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS57=75,2672the atoms involved in each of the contacts you wish to calculateSWITCH57={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7501974105834961}The switching functions to use for each of the contacts in your mapWEIGHT57=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS58=75,2675the atoms involved in each of the contacts you wish to calculateSWITCH58={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7690104246139526}The switching functions to use for each of the contacts in your mapWEIGHT58=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS59=75,2678the atoms involved in each of the contacts you wish to calculateSWITCH59={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6680127382278442}The switching functions to use for each of the contacts in your mapWEIGHT59=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS60=75,2680the atoms involved in each of the contacts you wish to calculateSWITCH60={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6796219944953918}The switching functions to use for each of the contacts in your mapWEIGHT60=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS61=75,2681the atoms involved in each of the contacts you wish to calculateSWITCH61={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7823382019996643}The switching functions to use for each of the contacts in your mapWEIGHT61=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS62=75,2684the atoms involved in each of the contacts you wish to calculateSWITCH62={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6172786951065063}The switching functions to use for each of the contacts in your mapWEIGHT62=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS63=78,589the atoms involved in each of the contacts you wish to calculateSWITCH63={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7669348120689392}The switching functions to use for each of the contacts in your mapWEIGHT63=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS64=78,591the atoms involved in each of the contacts you wish to calculateSWITCH64={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6807085275650024}The switching functions to use for each of the contacts in your mapWEIGHT64=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS65=78,593the atoms involved in each of the contacts you wish to calculateSWITCH65={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321522355079651}The switching functions to use for each of the contacts in your mapWEIGHT65=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS66=78,597the atoms involved in each of the contacts you wish to calculateSWITCH66={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7402493357658386}The switching functions to use for each of the contacts in your mapWEIGHT66=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS67=78,655the atoms involved in each of the contacts you wish to calculateSWITCH67={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7467784285545349}The switching functions to use for each of the contacts in your mapWEIGHT67=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS68=78,657the atoms involved in each of the contacts you wish to calculateSWITCH68={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6290214657783508}The switching functions to use for each of the contacts in your mapWEIGHT68=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS69=78,660the atoms involved in each of the contacts you wish to calculateSWITCH69={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5743744373321533}The switching functions to use for each of the contacts in your mapWEIGHT69=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS70=78,661the atoms involved in each of the contacts you wish to calculateSWITCH70={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5494751930236816}The switching functions to use for each of the contacts in your mapWEIGHT70=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS71=78,663the atoms involved in each of the contacts you wish to calculateSWITCH71={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5500572919845581}The switching functions to use for each of the contacts in your mapWEIGHT71=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS72=78,665the atoms involved in each of the contacts you wish to calculateSWITCH72={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5729930400848389}The switching functions to use for each of the contacts in your mapWEIGHT72=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS73=78,666the atoms involved in each of the contacts you wish to calculateSWITCH73={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6199555993080139}The switching functions to use for each of the contacts in your mapWEIGHT73=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS74=78,668the atoms involved in each of the contacts you wish to calculateSWITCH74={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5964378118515015}The switching functions to use for each of the contacts in your mapWEIGHT74=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS75=78,670the atoms involved in each of the contacts you wish to calculateSWITCH75={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5960972905158997}The switching functions to use for each of the contacts in your mapWEIGHT75=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS76=78,2603the atoms involved in each of the contacts you wish to calculateSWITCH76={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6297467947006226}The switching functions to use for each of the contacts in your mapWEIGHT76=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS77=78,2605the atoms involved in each of the contacts you wish to calculateSWITCH77={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5534022450447083}The switching functions to use for each of the contacts in your mapWEIGHT77=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS78=78,2607the atoms involved in each of the contacts you wish to calculateSWITCH78={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4091589152812958}The switching functions to use for each of the contacts in your mapWEIGHT78=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS79=78,2611the atoms involved in each of the contacts you wish to calculateSWITCH79={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5891977548599243}The switching functions to use for each of the contacts in your mapWEIGHT79=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS80=78,2650the atoms involved in each of the contacts you wish to calculateSWITCH80={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7597249746322632}The switching functions to use for each of the contacts in your mapWEIGHT80=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS81=78,2652the atoms involved in each of the contacts you wish to calculateSWITCH81={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6619017720222473}The switching functions to use for each of the contacts in your mapWEIGHT81=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS82=78,2655the atoms involved in each of the contacts you wish to calculateSWITCH82={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7524254322052002}The switching functions to use for each of the contacts in your mapWEIGHT82=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS83=78,2658the atoms involved in each of the contacts you wish to calculateSWITCH83={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8645558953285217}The switching functions to use for each of the contacts in your mapWEIGHT83=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS84=78,2659the atoms involved in each of the contacts you wish to calculateSWITCH84={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9808674454689026}The switching functions to use for each of the contacts in your mapWEIGHT84=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS85=78,2660the atoms involved in each of the contacts you wish to calculateSWITCH85={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8468418121337891}The switching functions to use for each of the contacts in your mapWEIGHT85=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS86=78,2667the atoms involved in each of the contacts you wish to calculateSWITCH86={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7113831639289856}The switching functions to use for each of the contacts in your mapWEIGHT86=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS87=78,2669the atoms involved in each of the contacts you wish to calculateSWITCH87={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.717910885810852}The switching functions to use for each of the contacts in your mapWEIGHT87=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS88=78,2672the atoms involved in each of the contacts you wish to calculateSWITCH88={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6095744371414185}The switching functions to use for each of the contacts in your mapWEIGHT88=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS89=78,2675the atoms involved in each of the contacts you wish to calculateSWITCH89={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6384685039520264}The switching functions to use for each of the contacts in your mapWEIGHT89=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS90=78,2678the atoms involved in each of the contacts you wish to calculateSWITCH90={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441011190414429}The switching functions to use for each of the contacts in your mapWEIGHT90=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS91=78,2680the atoms involved in each of the contacts you wish to calculateSWITCH91={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5764555931091309}The switching functions to use for each of the contacts in your mapWEIGHT91=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS92=78,2681the atoms involved in each of the contacts you wish to calculateSWITCH92={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6877208948135376}The switching functions to use for each of the contacts in your mapWEIGHT92=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS93=78,2684the atoms involved in each of the contacts you wish to calculateSWITCH93={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5304809212684631}The switching functions to use for each of the contacts in your mapWEIGHT93=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS94=79,589the atoms involved in each of the contacts you wish to calculateSWITCH94={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7421623468399048}The switching functions to use for each of the contacts in your mapWEIGHT94=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS95=79,591the atoms involved in each of the contacts you wish to calculateSWITCH95={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6806732416152954}The switching functions to use for each of the contacts in your mapWEIGHT95=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS96=79,593the atoms involved in each of the contacts you wish to calculateSWITCH96={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5337883830070496}The switching functions to use for each of the contacts in your mapWEIGHT96=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS97=79,597the atoms involved in each of the contacts you wish to calculateSWITCH97={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7596585154533386}The switching functions to use for each of the contacts in your mapWEIGHT97=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS98=79,655the atoms involved in each of the contacts you wish to calculateSWITCH98={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6239150762557983}The switching functions to use for each of the contacts in your mapWEIGHT98=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS99=79,657the atoms involved in each of the contacts you wish to calculateSWITCH99={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099999904632568}The switching functions to use for each of the contacts in your mapWEIGHT99=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS100=79,660the atoms involved in each of the contacts you wish to calculateSWITCH100={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44384005665779114}The switching functions to use for each of the contacts in your mapWEIGHT100=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS101=79,661the atoms involved in each of the contacts you wish to calculateSWITCH101={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.411265105009079}The switching functions to use for each of the contacts in your mapWEIGHT101=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS102=79,663the atoms involved in each of the contacts you wish to calculateSWITCH102={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4145781099796295}The switching functions to use for each of the contacts in your mapWEIGHT102=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS103=79,665the atoms involved in each of the contacts you wish to calculateSWITCH103={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44745615124702454}The switching functions to use for each of the contacts in your mapWEIGHT103=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS104=79,666the atoms involved in each of the contacts you wish to calculateSWITCH104={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5085675716400146}The switching functions to use for each of the contacts in your mapWEIGHT104=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS105=79,668the atoms involved in each of the contacts you wish to calculateSWITCH105={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4770597815513611}The switching functions to use for each of the contacts in your mapWEIGHT105=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS106=79,670the atoms involved in each of the contacts you wish to calculateSWITCH106={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4742699861526489}The switching functions to use for each of the contacts in your mapWEIGHT106=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS107=79,2603the atoms involved in each of the contacts you wish to calculateSWITCH107={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6067990064620972}The switching functions to use for each of the contacts in your mapWEIGHT107=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS108=79,2605the atoms involved in each of the contacts you wish to calculateSWITCH108={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5030527114868164}The switching functions to use for each of the contacts in your mapWEIGHT108=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS109=79,2607the atoms involved in each of the contacts you wish to calculateSWITCH109={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36100277304649353}The switching functions to use for each of the contacts in your mapWEIGHT109=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS110=79,2611the atoms involved in each of the contacts you wish to calculateSWITCH110={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.537484884262085}The switching functions to use for each of the contacts in your mapWEIGHT110=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS111=79,2650the atoms involved in each of the contacts you wish to calculateSWITCH111={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8225119709968567}The switching functions to use for each of the contacts in your mapWEIGHT111=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS112=79,2652the atoms involved in each of the contacts you wish to calculateSWITCH112={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7388328909873962}The switching functions to use for each of the contacts in your mapWEIGHT112=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS113=79,2655the atoms involved in each of the contacts you wish to calculateSWITCH113={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8406283855438232}The switching functions to use for each of the contacts in your mapWEIGHT113=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS114=79,2658the atoms involved in each of the contacts you wish to calculateSWITCH114={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.940294086933136}The switching functions to use for each of the contacts in your mapWEIGHT114=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS115=79,2659the atoms involved in each of the contacts you wish to calculateSWITCH115={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0604174137115479}The switching functions to use for each of the contacts in your mapWEIGHT115=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS116=79,2660the atoms involved in each of the contacts you wish to calculateSWITCH116={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9066317081451416}The switching functions to use for each of the contacts in your mapWEIGHT116=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS117=79,2667the atoms involved in each of the contacts you wish to calculateSWITCH117={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7452744841575623}The switching functions to use for each of the contacts in your mapWEIGHT117=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS118=79,2669the atoms involved in each of the contacts you wish to calculateSWITCH118={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7229412198066711}The switching functions to use for each of the contacts in your mapWEIGHT118=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS119=79,2672the atoms involved in each of the contacts you wish to calculateSWITCH119={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6003840565681458}The switching functions to use for each of the contacts in your mapWEIGHT119=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS120=79,2675the atoms involved in each of the contacts you wish to calculateSWITCH120={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6337081789970398}The switching functions to use for each of the contacts in your mapWEIGHT120=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS121=79,2678the atoms involved in each of the contacts you wish to calculateSWITCH121={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5346755981445312}The switching functions to use for each of the contacts in your mapWEIGHT121=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS122=79,2680the atoms involved in each of the contacts you wish to calculateSWITCH122={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.57950758934021}The switching functions to use for each of the contacts in your mapWEIGHT122=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS123=79,2681the atoms involved in each of the contacts you wish to calculateSWITCH123={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7037044763565063}The switching functions to use for each of the contacts in your mapWEIGHT123=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS124=79,2684the atoms involved in each of the contacts you wish to calculateSWITCH124={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5288572311401367}The switching functions to use for each of the contacts in your mapWEIGHT124=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS125=81,589the atoms involved in each of the contacts you wish to calculateSWITCH125={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7684503793716431}The switching functions to use for each of the contacts in your mapWEIGHT125=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS126=81,591the atoms involved in each of the contacts you wish to calculateSWITCH126={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7151063084602356}The switching functions to use for each of the contacts in your mapWEIGHT126=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS127=81,593the atoms involved in each of the contacts you wish to calculateSWITCH127={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5786786675453186}The switching functions to use for each of the contacts in your mapWEIGHT127=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS128=81,597the atoms involved in each of the contacts you wish to calculateSWITCH128={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.812201976776123}The switching functions to use for each of the contacts in your mapWEIGHT128=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS129=81,655the atoms involved in each of the contacts you wish to calculateSWITCH129={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5928802490234375}The switching functions to use for each of the contacts in your mapWEIGHT129=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS130=81,657the atoms involved in each of the contacts you wish to calculateSWITCH130={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4654642641544342}The switching functions to use for each of the contacts in your mapWEIGHT130=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS131=81,660the atoms involved in each of the contacts you wish to calculateSWITCH131={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37397992610931396}The switching functions to use for each of the contacts in your mapWEIGHT131=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS132=81,661the atoms involved in each of the contacts you wish to calculateSWITCH132={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3611011207103729}The switching functions to use for each of the contacts in your mapWEIGHT132=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS133=81,663the atoms involved in each of the contacts you wish to calculateSWITCH133={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34724918007850647}The switching functions to use for each of the contacts in your mapWEIGHT133=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS134=81,665the atoms involved in each of the contacts you wish to calculateSWITCH134={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34329870343208313}The switching functions to use for each of the contacts in your mapWEIGHT134=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS135=81,666the atoms involved in each of the contacts you wish to calculateSWITCH135={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4047394096851349}The switching functions to use for each of the contacts in your mapWEIGHT135=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS136=81,668the atoms involved in each of the contacts you wish to calculateSWITCH136={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35563042759895325}The switching functions to use for each of the contacts in your mapWEIGHT136=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS137=81,670the atoms involved in each of the contacts you wish to calculateSWITCH137={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36953622102737427}The switching functions to use for each of the contacts in your mapWEIGHT137=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS138=81,2603the atoms involved in each of the contacts you wish to calculateSWITCH138={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5475637316703796}The switching functions to use for each of the contacts in your mapWEIGHT138=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS139=81,2605the atoms involved in each of the contacts you wish to calculateSWITCH139={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4423268139362335}The switching functions to use for each of the contacts in your mapWEIGHT139=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS140=81,2607the atoms involved in each of the contacts you wish to calculateSWITCH140={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2993426024913788}The switching functions to use for each of the contacts in your mapWEIGHT140=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS141=81,2611the atoms involved in each of the contacts you wish to calculateSWITCH141={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5084987878799438}The switching functions to use for each of the contacts in your mapWEIGHT141=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS142=81,2650the atoms involved in each of the contacts you wish to calculateSWITCH142={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7774658203125}The switching functions to use for each of the contacts in your mapWEIGHT142=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS143=81,2652the atoms involved in each of the contacts you wish to calculateSWITCH143={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.716397225856781}The switching functions to use for each of the contacts in your mapWEIGHT143=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS144=81,2655the atoms involved in each of the contacts you wish to calculateSWITCH144={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8348515033721924}The switching functions to use for each of the contacts in your mapWEIGHT144=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS145=81,2658the atoms involved in each of the contacts you wish to calculateSWITCH145={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9251194596290588}The switching functions to use for each of the contacts in your mapWEIGHT145=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS146=81,2659the atoms involved in each of the contacts you wish to calculateSWITCH146={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0456892251968384}The switching functions to use for each of the contacts in your mapWEIGHT146=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS147=81,2660the atoms involved in each of the contacts you wish to calculateSWITCH147={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8837454319000244}The switching functions to use for each of the contacts in your mapWEIGHT147=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS148=81,2667the atoms involved in each of the contacts you wish to calculateSWITCH148={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.66670161485672}The switching functions to use for each of the contacts in your mapWEIGHT148=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS149=81,2669the atoms involved in each of the contacts you wish to calculateSWITCH149={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6221165657043457}The switching functions to use for each of the contacts in your mapWEIGHT149=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS150=81,2672the atoms involved in each of the contacts you wish to calculateSWITCH150={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49500909447669983}The switching functions to use for each of the contacts in your mapWEIGHT150=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS151=81,2675the atoms involved in each of the contacts you wish to calculateSWITCH151={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5409741401672363}The switching functions to use for each of the contacts in your mapWEIGHT151=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS152=81,2678the atoms involved in each of the contacts you wish to calculateSWITCH152={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4555644989013672}The switching functions to use for each of the contacts in your mapWEIGHT152=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS153=81,2680the atoms involved in each of the contacts you wish to calculateSWITCH153={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5254369974136353}The switching functions to use for each of the contacts in your mapWEIGHT153=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS154=81,2681the atoms involved in each of the contacts you wish to calculateSWITCH154={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6531163454055786}The switching functions to use for each of the contacts in your mapWEIGHT154=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS155=81,2684the atoms involved in each of the contacts you wish to calculateSWITCH155={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49728161096572876}The switching functions to use for each of the contacts in your mapWEIGHT155=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS156=83,589the atoms involved in each of the contacts you wish to calculateSWITCH156={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8155428171157837}The switching functions to use for each of the contacts in your mapWEIGHT156=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS157=83,591the atoms involved in each of the contacts you wish to calculateSWITCH157={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7462553977966309}The switching functions to use for each of the contacts in your mapWEIGHT157=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS158=83,593the atoms involved in each of the contacts you wish to calculateSWITCH158={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6172819137573242}The switching functions to use for each of the contacts in your mapWEIGHT158=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS159=83,597the atoms involved in each of the contacts you wish to calculateSWITCH159={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.843043327331543}The switching functions to use for each of the contacts in your mapWEIGHT159=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS160=83,655the atoms involved in each of the contacts you wish to calculateSWITCH160={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6937125325202942}The switching functions to use for each of the contacts in your mapWEIGHT160=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS161=83,657the atoms involved in each of the contacts you wish to calculateSWITCH161={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5544375777244568}The switching functions to use for each of the contacts in your mapWEIGHT161=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS162=83,660the atoms involved in each of the contacts you wish to calculateSWITCH162={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46308204531669617}The switching functions to use for each of the contacts in your mapWEIGHT162=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS163=83,661the atoms involved in each of the contacts you wish to calculateSWITCH163={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4733096659183502}The switching functions to use for each of the contacts in your mapWEIGHT163=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS164=83,663the atoms involved in each of the contacts you wish to calculateSWITCH164={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4469250440597534}The switching functions to use for each of the contacts in your mapWEIGHT164=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS165=83,665the atoms involved in each of the contacts you wish to calculateSWITCH165={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4034154415130615}The switching functions to use for each of the contacts in your mapWEIGHT165=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS166=83,666the atoms involved in each of the contacts you wish to calculateSWITCH166={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4404633641242981}The switching functions to use for each of the contacts in your mapWEIGHT166=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS167=83,668the atoms involved in each of the contacts you wish to calculateSWITCH167={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3897114396095276}The switching functions to use for each of the contacts in your mapWEIGHT167=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS168=83,670the atoms involved in each of the contacts you wish to calculateSWITCH168={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42044857144355774}The switching functions to use for each of the contacts in your mapWEIGHT168=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS169=83,2603the atoms involved in each of the contacts you wish to calculateSWITCH169={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5093761086463928}The switching functions to use for each of the contacts in your mapWEIGHT169=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS170=83,2605the atoms involved in each of the contacts you wish to calculateSWITCH170={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4374139904975891}The switching functions to use for each of the contacts in your mapWEIGHT170=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS171=83,2607the atoms involved in each of the contacts you wish to calculateSWITCH171={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.29243460297584534}The switching functions to use for each of the contacts in your mapWEIGHT171=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS172=83,2611the atoms involved in each of the contacts you wish to calculateSWITCH172={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5360270142555237}The switching functions to use for each of the contacts in your mapWEIGHT172=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS173=83,2650the atoms involved in each of the contacts you wish to calculateSWITCH173={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6559306383132935}The switching functions to use for each of the contacts in your mapWEIGHT173=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS174=83,2652the atoms involved in each of the contacts you wish to calculateSWITCH174={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6089277267456055}The switching functions to use for each of the contacts in your mapWEIGHT174=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS175=83,2655the atoms involved in each of the contacts you wish to calculateSWITCH175={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7383474707603455}The switching functions to use for each of the contacts in your mapWEIGHT175=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS176=83,2658the atoms involved in each of the contacts you wish to calculateSWITCH176={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8302818536758423}The switching functions to use for each of the contacts in your mapWEIGHT176=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS177=83,2659the atoms involved in each of the contacts you wish to calculateSWITCH177={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.947830080986023}The switching functions to use for each of the contacts in your mapWEIGHT177=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS178=83,2660the atoms involved in each of the contacts you wish to calculateSWITCH178={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7962938547134399}The switching functions to use for each of the contacts in your mapWEIGHT178=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS179=83,2667the atoms involved in each of the contacts you wish to calculateSWITCH179={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5291739106178284}The switching functions to use for each of the contacts in your mapWEIGHT179=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS180=83,2669the atoms involved in each of the contacts you wish to calculateSWITCH180={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4898703694343567}The switching functions to use for each of the contacts in your mapWEIGHT180=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS181=83,2672the atoms involved in each of the contacts you wish to calculateSWITCH181={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37011080980300903}The switching functions to use for each of the contacts in your mapWEIGHT181=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS182=83,2675the atoms involved in each of the contacts you wish to calculateSWITCH182={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4307609498500824}The switching functions to use for each of the contacts in your mapWEIGHT182=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS183=83,2678the atoms involved in each of the contacts you wish to calculateSWITCH183={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36832186579704285}The switching functions to use for each of the contacts in your mapWEIGHT183=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS184=83,2680the atoms involved in each of the contacts you wish to calculateSWITCH184={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45705360174179077}The switching functions to use for each of the contacts in your mapWEIGHT184=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS185=83,2681the atoms involved in each of the contacts you wish to calculateSWITCH185={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5753790140151978}The switching functions to use for each of the contacts in your mapWEIGHT185=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS186=83,2684the atoms involved in each of the contacts you wish to calculateSWITCH186={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4617304503917694}The switching functions to use for each of the contacts in your mapWEIGHT186=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS187=84,589the atoms involved in each of the contacts you wish to calculateSWITCH187={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8727961182594299}The switching functions to use for each of the contacts in your mapWEIGHT187=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS188=84,591the atoms involved in each of the contacts you wish to calculateSWITCH188={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8135785460472107}The switching functions to use for each of the contacts in your mapWEIGHT188=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS189=84,593the atoms involved in each of the contacts you wish to calculateSWITCH189={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6985183954238892}The switching functions to use for each of the contacts in your mapWEIGHT189=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS190=84,597the atoms involved in each of the contacts you wish to calculateSWITCH190={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9220981597900391}The switching functions to use for each of the contacts in your mapWEIGHT190=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS191=84,655the atoms involved in each of the contacts you wish to calculateSWITCH191={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7074079513549805}The switching functions to use for each of the contacts in your mapWEIGHT191=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS192=84,657the atoms involved in each of the contacts you wish to calculateSWITCH192={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5664891600608826}The switching functions to use for each of the contacts in your mapWEIGHT192=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS193=84,660the atoms involved in each of the contacts you wish to calculateSWITCH193={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4628865718841553}The switching functions to use for each of the contacts in your mapWEIGHT193=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS194=84,661the atoms involved in each of the contacts you wish to calculateSWITCH194={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4921676516532898}The switching functions to use for each of the contacts in your mapWEIGHT194=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS195=84,663the atoms involved in each of the contacts you wish to calculateSWITCH195={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4532119035720825}The switching functions to use for each of the contacts in your mapWEIGHT195=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS196=84,665the atoms involved in each of the contacts you wish to calculateSWITCH196={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3705846667289734}The switching functions to use for each of the contacts in your mapWEIGHT196=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS197=84,666the atoms involved in each of the contacts you wish to calculateSWITCH197={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39513665437698364}The switching functions to use for each of the contacts in your mapWEIGHT197=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS198=84,668the atoms involved in each of the contacts you wish to calculateSWITCH198={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.328198105096817}The switching functions to use for each of the contacts in your mapWEIGHT198=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS199=84,670the atoms involved in each of the contacts you wish to calculateSWITCH199={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3812532126903534}The switching functions to use for each of the contacts in your mapWEIGHT199=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS200=84,2603the atoms involved in each of the contacts you wish to calculateSWITCH200={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4980331361293793}The switching functions to use for each of the contacts in your mapWEIGHT200=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS201=84,2605the atoms involved in each of the contacts you wish to calculateSWITCH201={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4368912875652313}The switching functions to use for each of the contacts in your mapWEIGHT201=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS202=84,2607the atoms involved in each of the contacts you wish to calculateSWITCH202={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3189874589443207}The switching functions to use for each of the contacts in your mapWEIGHT202=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS203=84,2611the atoms involved in each of the contacts you wish to calculateSWITCH203={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5603195428848267}The switching functions to use for each of the contacts in your mapWEIGHT203=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS204=84,2650the atoms involved in each of the contacts you wish to calculateSWITCH204={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.644301176071167}The switching functions to use for each of the contacts in your mapWEIGHT204=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS205=84,2652the atoms involved in each of the contacts you wish to calculateSWITCH205={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6285666227340698}The switching functions to use for each of the contacts in your mapWEIGHT205=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS206=84,2655the atoms involved in each of the contacts you wish to calculateSWITCH206={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7696947455406189}The switching functions to use for each of the contacts in your mapWEIGHT206=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS207=84,2658the atoms involved in each of the contacts you wish to calculateSWITCH207={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8473564982414246}The switching functions to use for each of the contacts in your mapWEIGHT207=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS208=84,2659the atoms involved in each of the contacts you wish to calculateSWITCH208={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9614130258560181}The switching functions to use for each of the contacts in your mapWEIGHT208=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS209=84,2660the atoms involved in each of the contacts you wish to calculateSWITCH209={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8062635660171509}The switching functions to use for each of the contacts in your mapWEIGHT209=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS210=84,2667the atoms involved in each of the contacts you wish to calculateSWITCH210={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47543033957481384}The switching functions to use for each of the contacts in your mapWEIGHT210=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS211=84,2669the atoms involved in each of the contacts you wish to calculateSWITCH211={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.401634156703949}The switching functions to use for each of the contacts in your mapWEIGHT211=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS212=84,2672the atoms involved in each of the contacts you wish to calculateSWITCH212={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.28019100427627563}The switching functions to use for each of the contacts in your mapWEIGHT212=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS213=84,2675the atoms involved in each of the contacts you wish to calculateSWITCH213={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3654777705669403}The switching functions to use for each of the contacts in your mapWEIGHT213=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS214=84,2678the atoms involved in each of the contacts you wish to calculateSWITCH214={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3380443751811981}The switching functions to use for each of the contacts in your mapWEIGHT214=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS215=84,2680the atoms involved in each of the contacts you wish to calculateSWITCH215={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45398786664009094}The switching functions to use for each of the contacts in your mapWEIGHT215=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS216=84,2681the atoms involved in each of the contacts you wish to calculateSWITCH216={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5651317834854126}The switching functions to use for each of the contacts in your mapWEIGHT216=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS217=84,2684the atoms involved in each of the contacts you wish to calculateSWITCH217={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48759204149246216}The switching functions to use for each of the contacts in your mapWEIGHT217=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS218=86,589the atoms involved in each of the contacts you wish to calculateSWITCH218={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8385522961616516}The switching functions to use for each of the contacts in your mapWEIGHT218=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS219=86,591the atoms involved in each of the contacts you wish to calculateSWITCH219={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7467001080513}The switching functions to use for each of the contacts in your mapWEIGHT219=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS220=86,593the atoms involved in each of the contacts you wish to calculateSWITCH220={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6163919568061829}The switching functions to use for each of the contacts in your mapWEIGHT220=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS221=86,597the atoms involved in each of the contacts you wish to calculateSWITCH221={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.826381266117096}The switching functions to use for each of the contacts in your mapWEIGHT221=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS222=86,655the atoms involved in each of the contacts you wish to calculateSWITCH222={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8057698011398315}The switching functions to use for each of the contacts in your mapWEIGHT222=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS223=86,657the atoms involved in each of the contacts you wish to calculateSWITCH223={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6649819612503052}The switching functions to use for each of the contacts in your mapWEIGHT223=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS224=86,660the atoms involved in each of the contacts you wish to calculateSWITCH224={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5883969664573669}The switching functions to use for each of the contacts in your mapWEIGHT224=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS225=86,661the atoms involved in each of the contacts you wish to calculateSWITCH225={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5967662930488586}The switching functions to use for each of the contacts in your mapWEIGHT225=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS226=86,663the atoms involved in each of the contacts you wish to calculateSWITCH226={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739424824714661}The switching functions to use for each of the contacts in your mapWEIGHT226=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS227=86,665the atoms involved in each of the contacts you wish to calculateSWITCH227={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5375928282737732}The switching functions to use for each of the contacts in your mapWEIGHT227=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS228=86,666the atoms involved in each of the contacts you wish to calculateSWITCH228={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5634943842887878}The switching functions to use for each of the contacts in your mapWEIGHT228=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS229=86,668the atoms involved in each of the contacts you wish to calculateSWITCH229={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269772410392761}The switching functions to use for each of the contacts in your mapWEIGHT229=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS230=86,670the atoms involved in each of the contacts you wish to calculateSWITCH230={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5524536371231079}The switching functions to use for each of the contacts in your mapWEIGHT230=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS231=86,2603the atoms involved in each of the contacts you wish to calculateSWITCH231={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5344286561012268}The switching functions to use for each of the contacts in your mapWEIGHT231=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS232=86,2605the atoms involved in each of the contacts you wish to calculateSWITCH232={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4927119016647339}The switching functions to use for each of the contacts in your mapWEIGHT232=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS233=86,2607the atoms involved in each of the contacts you wish to calculateSWITCH233={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3480890691280365}The switching functions to use for each of the contacts in your mapWEIGHT233=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS234=86,2611the atoms involved in each of the contacts you wish to calculateSWITCH234={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5869965553283691}The switching functions to use for each of the contacts in your mapWEIGHT234=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS235=86,2650the atoms involved in each of the contacts you wish to calculateSWITCH235={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5724080801010132}The switching functions to use for each of the contacts in your mapWEIGHT235=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS236=86,2652the atoms involved in each of the contacts you wish to calculateSWITCH236={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5106260776519775}The switching functions to use for each of the contacts in your mapWEIGHT236=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS237=86,2655the atoms involved in each of the contacts you wish to calculateSWITCH237={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6345872282981873}The switching functions to use for each of the contacts in your mapWEIGHT237=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS238=86,2658the atoms involved in each of the contacts you wish to calculateSWITCH238={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7418018579483032}The switching functions to use for each of the contacts in your mapWEIGHT238=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS239=86,2659the atoms involved in each of the contacts you wish to calculateSWITCH239={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8563503623008728}The switching functions to use for each of the contacts in your mapWEIGHT239=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS240=86,2660the atoms involved in each of the contacts you wish to calculateSWITCH240={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7257727384567261}The switching functions to use for each of the contacts in your mapWEIGHT240=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS241=86,2667the atoms involved in each of the contacts you wish to calculateSWITCH241={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47621527314186096}The switching functions to use for each of the contacts in your mapWEIGHT241=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS242=86,2669the atoms involved in each of the contacts you wish to calculateSWITCH242={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4780386984348297}The switching functions to use for each of the contacts in your mapWEIGHT242=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS243=86,2672the atoms involved in each of the contacts you wish to calculateSWITCH243={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3802052140235901}The switching functions to use for each of the contacts in your mapWEIGHT243=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS244=86,2675the atoms involved in each of the contacts you wish to calculateSWITCH244={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4338213801383972}The switching functions to use for each of the contacts in your mapWEIGHT244=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS245=86,2678the atoms involved in each of the contacts you wish to calculateSWITCH245={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3784719407558441}The switching functions to use for each of the contacts in your mapWEIGHT245=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS246=86,2680the atoms involved in each of the contacts you wish to calculateSWITCH246={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45073941349983215}The switching functions to use for each of the contacts in your mapWEIGHT246=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS247=86,2681the atoms involved in each of the contacts you wish to calculateSWITCH247={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5534012913703918}The switching functions to use for each of the contacts in your mapWEIGHT247=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS248=86,2684the atoms involved in each of the contacts you wish to calculateSWITCH248={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4620140492916107}The switching functions to use for each of the contacts in your mapWEIGHT248=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS249=88,589the atoms involved in each of the contacts you wish to calculateSWITCH249={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8140037059783936}The switching functions to use for each of the contacts in your mapWEIGHT249=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS250=88,591the atoms involved in each of the contacts you wish to calculateSWITCH250={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7135131359100342}The switching functions to use for each of the contacts in your mapWEIGHT250=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS251=88,593the atoms involved in each of the contacts you wish to calculateSWITCH251={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5740914940834045}The switching functions to use for each of the contacts in your mapWEIGHT251=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS252=88,597the atoms involved in each of the contacts you wish to calculateSWITCH252={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7746263742446899}The switching functions to use for each of the contacts in your mapWEIGHT252=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS253=88,655the atoms involved in each of the contacts you wish to calculateSWITCH253={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8275657296180725}The switching functions to use for each of the contacts in your mapWEIGHT253=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS254=88,657the atoms involved in each of the contacts you wish to calculateSWITCH254={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6957046985626221}The switching functions to use for each of the contacts in your mapWEIGHT254=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS255=88,660the atoms involved in each of the contacts you wish to calculateSWITCH255={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6339061856269836}The switching functions to use for each of the contacts in your mapWEIGHT255=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS256=88,661the atoms involved in each of the contacts you wish to calculateSWITCH256={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6270454525947571}The switching functions to use for each of the contacts in your mapWEIGHT256=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS257=88,663the atoms involved in each of the contacts you wish to calculateSWITCH257={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6157353520393372}The switching functions to use for each of the contacts in your mapWEIGHT257=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS258=88,665the atoms involved in each of the contacts you wish to calculateSWITCH258={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6083617210388184}The switching functions to use for each of the contacts in your mapWEIGHT258=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS259=88,666the atoms involved in each of the contacts you wish to calculateSWITCH259={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6412550210952759}The switching functions to use for each of the contacts in your mapWEIGHT259=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS260=88,668the atoms involved in each of the contacts you wish to calculateSWITCH260={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6146047711372375}The switching functions to use for each of the contacts in your mapWEIGHT260=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS261=88,670the atoms involved in each of the contacts you wish to calculateSWITCH261={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6264032125473022}The switching functions to use for each of the contacts in your mapWEIGHT261=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS262=88,2603the atoms involved in each of the contacts you wish to calculateSWITCH262={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5949587821960449}The switching functions to use for each of the contacts in your mapWEIGHT262=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS263=88,2605the atoms involved in each of the contacts you wish to calculateSWITCH263={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5474623441696167}The switching functions to use for each of the contacts in your mapWEIGHT263=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS264=88,2607the atoms involved in each of the contacts you wish to calculateSWITCH264={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40191787481307983}The switching functions to use for each of the contacts in your mapWEIGHT264=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS265=88,2611the atoms involved in each of the contacts you wish to calculateSWITCH265={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6116346716880798}The switching functions to use for each of the contacts in your mapWEIGHT265=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS266=88,2650the atoms involved in each of the contacts you wish to calculateSWITCH266={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6337483525276184}The switching functions to use for each of the contacts in your mapWEIGHT266=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS267=88,2652the atoms involved in each of the contacts you wish to calculateSWITCH267={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432062149047852}The switching functions to use for each of the contacts in your mapWEIGHT267=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS268=88,2655the atoms involved in each of the contacts you wish to calculateSWITCH268={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6436777114868164}The switching functions to use for each of the contacts in your mapWEIGHT268=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS269=88,2658the atoms involved in each of the contacts you wish to calculateSWITCH269={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7619710564613342}The switching functions to use for each of the contacts in your mapWEIGHT269=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS270=88,2659the atoms involved in each of the contacts you wish to calculateSWITCH270={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8756517171859741}The switching functions to use for each of the contacts in your mapWEIGHT270=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS271=88,2660the atoms involved in each of the contacts you wish to calculateSWITCH271={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7545726895332336}The switching functions to use for each of the contacts in your mapWEIGHT271=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS272=88,2667the atoms involved in each of the contacts you wish to calculateSWITCH272={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825092196464539}The switching functions to use for each of the contacts in your mapWEIGHT272=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS273=88,2669the atoms involved in each of the contacts you wish to calculateSWITCH273={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.60443115234375}The switching functions to use for each of the contacts in your mapWEIGHT273=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS274=88,2672the atoms involved in each of the contacts you wish to calculateSWITCH274={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5106368660926819}The switching functions to use for each of the contacts in your mapWEIGHT274=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS275=88,2675the atoms involved in each of the contacts you wish to calculateSWITCH275={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5458452105522156}The switching functions to use for each of the contacts in your mapWEIGHT275=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS276=88,2678the atoms involved in each of the contacts you wish to calculateSWITCH276={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47124624252319336}The switching functions to use for each of the contacts in your mapWEIGHT276=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS277=88,2680the atoms involved in each of the contacts you wish to calculateSWITCH277={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5132855176925659}The switching functions to use for each of the contacts in your mapWEIGHT277=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS278=88,2681the atoms involved in each of the contacts you wish to calculateSWITCH278={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6130326390266418}The switching functions to use for each of the contacts in your mapWEIGHT278=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS279=88,2684the atoms involved in each of the contacts you wish to calculateSWITCH279={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49608367681503296}The switching functions to use for each of the contacts in your mapWEIGHT279=0.0035842293906810036A 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 actionsqtyrSUMcalculate the sum of all the contacts in the inputNOPBC... CONTACTMAPignore the periodic boundary conditions when calculating distancesALPHABETA...Calculate the alpha beta CV This action is a shortcut. More detailsATOMS1=16,18,20,23the atoms involved for each of the torsions you wish to calculateREFERENCE1=-1.0648071765899658the reference values for each of the torsional anglesATOMS2=18,20,23,25the atoms involved for each of the torsions you wish to calculateREFERENCE2=-0.5233257412910461the reference values for each of the torsional anglesATOMS3=23,25,27,35the atoms involved for each of the torsions you wish to calculateREFERENCE3=-0.9334732890129089the reference values for each of the torsional anglesATOMS4=25,27,35,37the atoms involved for each of the torsions you wish to calculateREFERENCE4=-0.7526757121086121the reference values for each of the torsional anglesATOMS5=35,37,39,50the atoms involved for each of the torsions you wish to calculateREFERENCE5=-1.094430685043335the reference values for each of the torsional anglesATOMS6=37,39,50,52the atoms involved for each of the torsions you wish to calculateREFERENCE6=-0.3964979946613312the reference values for each of the torsional anglesATOMS7=50,52,54,69the atoms involved for each of the torsions you wish to calculateREFERENCE7=-1.1912622451782227the reference values for each of the torsional anglesATOMS8=52,54,69,71the atoms involved for each of the torsions you wish to calculateREFERENCE8=-1.1033217906951904the reference values for each of the torsional anglesATOMS9=69,71,73,90the atoms involved for each of the torsions you wish to calculateREFERENCE9=-0.8037984371185303the reference values for each of the torsional anglesATOMS10=71,73,90,92the atoms involved for each of the torsions you wish to calculateREFERENCE10=-0.6409981846809387the reference values for each of the torsional anglesATOMS11=90,92,94,105the atoms involved for each of the torsions you wish to calculateREFERENCE11=-0.961904764175415the reference values for each of the torsional anglesATOMS12=92,94,105,107the atoms involved for each of the torsions you wish to calculateREFERENCE12=-1.0553141832351685the reference values for each of the torsional anglesATOMS13=105,107,109,117the atoms involved for each of the torsions you wish to calculateREFERENCE13=-1.4251854419708252the reference values for each of the torsional anglesATOMS14=107,109,117,119the atoms involved for each of the torsions you wish to calculateREFERENCE14=-0.7725961208343506the reference values for each of the torsional anglesATOMS15=117,119,121,136the atoms involved for each of the torsions you wish to calculateREFERENCE15=-0.8170651793479919the reference values for each of the torsional anglesATOMS16=119,121,136,138the atoms involved for each of the torsions you wish to calculateREFERENCE16=-0.47180330753326416the reference values for each of the torsional anglesLABEL=a label for the action so that its output can be referenced in the input to other actionsab... ALPHABETAPrint quantities to a file. More detailsARG=the input for this action is the scalar output from one or more other actionsq,ab,qtyrFILE=CV_nmr_dispthe name of the file on which to output these quantities