Project ID: plumID:21.017
Source: plumed/md/nmr_c36m.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 details STRUCTUREa file in pdb format containing a reference structure=../topologies/nmr_c36m.pdb prot : 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 details ATOMSthe numerical indexes for the set of atoms in the group=1-3410 WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=prot CONTACTMAPCalculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details ... ATOMS1the atoms involved in each of the contacts you wish to calculate=1,2655 SWITCH1The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.50623619556427} WEIGHT1A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS2the atoms involved in each of the contacts you wish to calculate=1,2658 SWITCH2The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4756616950035095} WEIGHT2A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS3the atoms involved in each of the contacts you wish to calculate=1,2659 SWITCH3The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4620974361896515} WEIGHT3A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS4the atoms involved in each of the contacts you wish to calculate=1,2660 SWITCH4The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5175694227218628} WEIGHT4A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS5the atoms involved in each of the contacts you wish to calculate=5,2655 SWITCH5The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.579962968826294} WEIGHT5A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS6the atoms involved in each of the contacts you wish to calculate=5,2658 SWITCH6The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5540722608566284} WEIGHT6A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS7the atoms involved in each of the contacts you wish to calculate=5,2659 SWITCH7The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5640904307365417} WEIGHT7A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS8the atoms involved in each of the contacts you wish to calculate=5,2660 SWITCH8The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5676760077476501} WEIGHT8A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS9the atoms involved in each of the contacts you wish to calculate=16,52 SWITCH9The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49136343598365784} WEIGHT9A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS10the atoms involved in each of the contacts you wish to calculate=16,54 SWITCH10The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5910550355911255} WEIGHT10A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS11the atoms involved in each of the contacts you wish to calculate=16,56 SWITCH11The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5641081929206848} WEIGHT11A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS12the atoms involved in each of the contacts you wish to calculate=16,62 SWITCH12The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47472310066223145} WEIGHT12A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS13the atoms involved in each of the contacts you wish to calculate=16,65 SWITCH13The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5234940648078918} WEIGHT13A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS14the atoms involved in each of the contacts you wish to calculate=16,2655 SWITCH14The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.515900194644928} WEIGHT14A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS15the atoms involved in each of the contacts you wish to calculate=16,2658 SWITCH15The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5091837048530579} WEIGHT15A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS16the atoms involved in each of the contacts you wish to calculate=16,2659 SWITCH16The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5523567795753479} WEIGHT16A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS17the atoms involved in each of the contacts you wish to calculate=16,2660 SWITCH17The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5052128434181213} WEIGHT17A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS18the atoms involved in each of the contacts you wish to calculate=17,52 SWITCH18The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3881971538066864} WEIGHT18A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS19the atoms involved in each of the contacts you wish to calculate=17,54 SWITCH19The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49285802245140076} WEIGHT19A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS20the atoms involved in each of the contacts you wish to calculate=17,56 SWITCH20The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48627060651779175} WEIGHT20A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS21the atoms involved in each of the contacts you wish to calculate=17,62 SWITCH21The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39949098229408264} WEIGHT21A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS22the atoms involved in each of the contacts you wish to calculate=17,65 SWITCH22The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4769078195095062} WEIGHT22A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS23the atoms involved in each of the contacts you wish to calculate=17,2655 SWITCH23The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5961996912956238} WEIGHT23A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS24the atoms involved in each of the contacts you wish to calculate=17,2660 SWITCH24The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5953394174575806} WEIGHT24A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS25the atoms involved in each of the contacts you wish to calculate=18,2652 SWITCH25The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49962592124938965} WEIGHT25A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS26the atoms involved in each of the contacts you wish to calculate=18,2655 SWITCH26The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40036237239837646} WEIGHT26A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS27the atoms involved in each of the contacts you wish to calculate=18,2658 SWITCH27The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3868371844291687} WEIGHT27A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS28the atoms involved in each of the contacts you wish to calculate=18,2659 SWITCH28The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4444153308868408} WEIGHT28A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS29the atoms involved in each of the contacts you wish to calculate=18,2660 SWITCH29The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37471458315849304} WEIGHT29A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS30the atoms involved in each of the contacts you wish to calculate=20,71 SWITCH30The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.582779586315155} WEIGHT30A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS31the atoms involved in each of the contacts you wish to calculate=20,2599 SWITCH31The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918015241622925} WEIGHT31A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS32the atoms involved in each of the contacts you wish to calculate=20,2600 SWITCH32The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5393978357315063} WEIGHT32A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS33the atoms involved in each of the contacts you wish to calculate=20,2601 SWITCH33The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.592608630657196} WEIGHT33A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS34the atoms involved in each of the contacts you wish to calculate=20,2603 SWITCH34The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5306655764579773} WEIGHT34A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS35the atoms involved in each of the contacts you wish to calculate=20,2615 SWITCH35The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5829184651374817} WEIGHT35A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS36the atoms involved in each of the contacts you wish to calculate=20,2616 SWITCH36The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5276447534561157} WEIGHT36A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS37the atoms involved in each of the contacts you wish to calculate=20,2648 SWITCH37The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5869088172912598} WEIGHT37A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS38the atoms involved in each of the contacts you wish to calculate=20,2650 SWITCH38The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5724342465400696} WEIGHT38A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS39the atoms involved in each of the contacts you wish to calculate=20,2652 SWITCH39The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44032374024391174} WEIGHT39A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS40the atoms involved in each of the contacts you wish to calculate=20,2655 SWITCH40The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3831670880317688} WEIGHT40A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS41the atoms involved in each of the contacts you wish to calculate=20,2658 SWITCH41The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3952239751815796} WEIGHT41A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS42the atoms involved in each of the contacts you wish to calculate=20,2659 SWITCH42The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4856809675693512} WEIGHT42A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS43the atoms involved in each of the contacts you wish to calculate=20,2660 SWITCH43The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3588007688522339} WEIGHT43A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS44the atoms involved in each of the contacts you wish to calculate=23,71 SWITCH44The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4711315929889679} WEIGHT44A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS45the atoms involved in each of the contacts you wish to calculate=23,73 SWITCH45The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5875456929206848} WEIGHT45A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS46the atoms involved in each of the contacts you wish to calculate=23,75 SWITCH46The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5759522318840027} WEIGHT46A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS47the atoms involved in each of the contacts you wish to calculate=23,78 SWITCH47The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.58194500207901} WEIGHT47A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS48the atoms involved in each of the contacts you wish to calculate=23,86 SWITCH48The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5418717265129089} WEIGHT48A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS49the atoms involved in each of the contacts you wish to calculate=23,2603 SWITCH49The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5772113800048828} WEIGHT49A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS50the atoms involved in each of the contacts you wish to calculate=23,2607 SWITCH50The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5870833992958069} WEIGHT50A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS51the atoms involved in each of the contacts you wish to calculate=23,2616 SWITCH51The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5591064095497131} WEIGHT51A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS52the atoms involved in each of the contacts you wish to calculate=23,2650 SWITCH52The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5908620953559875} WEIGHT52A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS53the atoms involved in each of the contacts you wish to calculate=23,2652 SWITCH53The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4422149062156677} WEIGHT53A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS54the atoms involved in each of the contacts you wish to calculate=23,2655 SWITCH54The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4025965929031372} WEIGHT54A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS55the atoms involved in each of the contacts you wish to calculate=23,2658 SWITCH55The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4659881889820099} WEIGHT55A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS56the atoms involved in each of the contacts you wish to calculate=23,2659 SWITCH56The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5609714984893799} WEIGHT56A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS57the atoms involved in each of the contacts you wish to calculate=23,2660 SWITCH57The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4569956064224243} WEIGHT57A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS58the atoms involved in each of the contacts you wish to calculate=24,71 SWITCH58The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35121220350265503} WEIGHT58A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS59the atoms involved in each of the contacts you wish to calculate=24,73 SWITCH59The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4714498519897461} WEIGHT59A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS60the atoms involved in each of the contacts you wish to calculate=24,75 SWITCH60The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47410544753074646} WEIGHT60A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS61the atoms involved in each of the contacts you wish to calculate=24,78 SWITCH61The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48543691635131836} WEIGHT61A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS62the atoms involved in each of the contacts you wish to calculate=24,79 SWITCH62The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5698289275169373} WEIGHT62A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS63the atoms involved in each of the contacts you wish to calculate=24,86 SWITCH63The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46801918745040894} WEIGHT63A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS64the atoms involved in each of the contacts you wish to calculate=24,88 SWITCH64The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5378698706626892} WEIGHT64A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS65the atoms involved in each of the contacts you wish to calculate=24,90 SWITCH65The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739772915840149} WEIGHT65A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS66the atoms involved in each of the contacts you wish to calculate=24,92 SWITCH66The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5533579587936401} WEIGHT66A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS67the atoms involved in each of the contacts you wish to calculate=24,2603 SWITCH67The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5438951849937439} WEIGHT67A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS68the atoms involved in each of the contacts you wish to calculate=24,2605 SWITCH68The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5625699758529663} WEIGHT68A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS69the atoms involved in each of the contacts you wish to calculate=24,2607 SWITCH69The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5122362971305847} WEIGHT69A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS70the atoms involved in each of the contacts you wish to calculate=24,2611 SWITCH70The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5487740635871887} WEIGHT70A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS71the atoms involved in each of the contacts you wish to calculate=24,2616 SWITCH71The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5546503663063049} WEIGHT71A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS72the atoms involved in each of the contacts you wish to calculate=24,2652 SWITCH72The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4974685609340668} WEIGHT72A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS73the atoms involved in each of the contacts you wish to calculate=24,2655 SWITCH73The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49047020077705383} WEIGHT73A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS74the atoms involved in each of the contacts you wish to calculate=24,2658 SWITCH74The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619804859161377} WEIGHT74A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS75the atoms involved in each of the contacts you wish to calculate=24,2660 SWITCH75The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.53935706615448} WEIGHT75A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS76the atoms involved in each of the contacts you wish to calculate=25,2650 SWITCH76The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5907706618309021} WEIGHT76A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS77the atoms involved in each of the contacts you wish to calculate=25,2652 SWITCH77The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4394928812980652} WEIGHT77A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS78the atoms involved in each of the contacts you wish to calculate=25,2655 SWITCH78The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37627914547920227} WEIGHT78A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS79the atoms involved in each of the contacts you wish to calculate=25,2658 SWITCH79The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4615766406059265} WEIGHT79A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS80the atoms involved in each of the contacts you wish to calculate=25,2659 SWITCH80The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5402600765228271} WEIGHT80A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS81the atoms involved in each of the contacts you wish to calculate=25,2660 SWITCH81The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48958858847618103} WEIGHT81A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS82the atoms involved in each of the contacts you wish to calculate=27,92 SWITCH82The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5802853107452393} WEIGHT82A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS83the atoms involved in each of the contacts you wish to calculate=27,99 SWITCH83The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5483183860778809} WEIGHT83A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS84the atoms involved in each of the contacts you wish to calculate=27,104 SWITCH84The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.567409873008728} WEIGHT84A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS85the atoms involved in each of the contacts you wish to calculate=27,2652 SWITCH85The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5050831437110901} WEIGHT85A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS86the atoms involved in each of the contacts you wish to calculate=27,2655 SWITCH86The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4623299837112427} WEIGHT86A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS87the atoms involved in each of the contacts you wish to calculate=27,2658 SWITCH87The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732049942016602} WEIGHT87A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS88the atoms involved in each of the contacts you wish to calculate=27,2734 SWITCH88The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5859965682029724} WEIGHT88A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS89the atoms involved in each of the contacts you wish to calculate=29,99 SWITCH89The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5778563618659973} WEIGHT89A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS90the atoms involved in each of the contacts you wish to calculate=29,104 SWITCH90The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5355455279350281} WEIGHT90A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS91the atoms involved in each of the contacts you wish to calculate=29,2652 SWITCH91The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5591565370559692} WEIGHT91A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS92the atoms involved in each of the contacts you wish to calculate=29,2655 SWITCH92The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49339842796325684} WEIGHT92A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS93the atoms involved in each of the contacts you wish to calculate=29,2731 SWITCH93The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5631207823753357} WEIGHT93A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS94the atoms involved in each of the contacts you wish to calculate=29,2734 SWITCH94The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5182480216026306} WEIGHT94A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS95the atoms involved in each of the contacts you wish to calculate=29,2737 SWITCH95The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5848102569580078} WEIGHT95A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS96the atoms involved in each of the contacts you wish to calculate=29,2740 SWITCH96The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5456775426864624} WEIGHT96A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS97the atoms involved in each of the contacts you wish to calculate=32,104 SWITCH97The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5988038182258606} WEIGHT97A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS98the atoms involved in each of the contacts you wish to calculate=32,2652 SWITCH98The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269240736961365} WEIGHT98A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS99the atoms involved in each of the contacts you wish to calculate=32,2655 SWITCH99The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4797280430793762} WEIGHT99A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS100the atoms involved in each of the contacts you wish to calculate=32,2728 SWITCH100The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5602812170982361} WEIGHT100A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS101the atoms involved in each of the contacts you wish to calculate=32,2731 SWITCH101The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4208301305770874} WEIGHT101A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS102the atoms involved in each of the contacts you wish to calculate=32,2734 SWITCH102The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36700138449668884} WEIGHT102A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS103the atoms involved in each of the contacts you wish to calculate=32,2737 SWITCH103The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43672192096710205} WEIGHT103A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS104the atoms involved in each of the contacts you wish to calculate=32,2740 SWITCH104The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41125786304473877} WEIGHT104A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS105the atoms involved in each of the contacts you wish to calculate=33,2650 SWITCH105The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5385499000549316} WEIGHT105A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS106the atoms involved in each of the contacts you wish to calculate=33,2652 SWITCH106The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42145463824272156} WEIGHT106A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS107the atoms involved in each of the contacts you wish to calculate=33,2655 SWITCH107The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39850473403930664} WEIGHT107A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS108the atoms involved in each of the contacts you wish to calculate=33,2658 SWITCH108The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5424988269805908} WEIGHT108A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS109the atoms involved in each of the contacts you wish to calculate=33,2663 SWITCH109The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5490728616714478} WEIGHT109A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS110the atoms involved in each of the contacts you wish to calculate=33,2664 SWITCH110The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.523310661315918} WEIGHT110A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS111the atoms involved in each of the contacts you wish to calculate=33,2726 SWITCH111The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5870477557182312} WEIGHT111A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS112the atoms involved in each of the contacts you wish to calculate=33,2728 SWITCH112The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46715953946113586} WEIGHT112A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS113the atoms involved in each of the contacts you wish to calculate=33,2731 SWITCH113The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3347850441932678} WEIGHT113A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS114the atoms involved in each of the contacts you wish to calculate=33,2734 SWITCH114The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31778138875961304} WEIGHT114A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS115the atoms involved in each of the contacts you wish to calculate=33,2737 SWITCH115The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41935548186302185} WEIGHT115A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS116the atoms involved in each of the contacts you wish to calculate=33,2740 SWITCH116The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43680205941200256} WEIGHT116A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS117the atoms involved in each of the contacts you wish to calculate=34,104 SWITCH117The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5802050828933716} WEIGHT117A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS118the atoms involved in each of the contacts you wish to calculate=34,2655 SWITCH118The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.583034336566925} WEIGHT118A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS119the atoms involved in each of the contacts you wish to calculate=34,2728 SWITCH119The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5655449032783508} WEIGHT119A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS120the atoms involved in each of the contacts you wish to calculate=34,2731 SWITCH120The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4263168275356293} WEIGHT120A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS121the atoms involved in each of the contacts you wish to calculate=34,2734 SWITCH121The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.335997074842453} WEIGHT121A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS122the atoms involved in each of the contacts you wish to calculate=34,2737 SWITCH122The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3691774904727936} WEIGHT122A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS123the atoms involved in each of the contacts you wish to calculate=34,2740 SWITCH123The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3096369206905365} WEIGHT123A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS124the atoms involved in each of the contacts you wish to calculate=35,92 SWITCH124The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4642133116722107} WEIGHT124A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS125the atoms involved in each of the contacts you wish to calculate=35,94 SWITCH125The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.548897922039032} WEIGHT125A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS126the atoms involved in each of the contacts you wish to calculate=35,96 SWITCH126The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4989768862724304} WEIGHT126A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS127the atoms involved in each of the contacts you wish to calculate=35,99 SWITCH127The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4252552092075348} WEIGHT127A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS128the atoms involved in each of the contacts you wish to calculate=35,102 SWITCH128The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4974474310874939} WEIGHT128A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS129the atoms involved in each of the contacts you wish to calculate=35,104 SWITCH129The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4686843156814575} WEIGHT129A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS130the atoms involved in each of the contacts you wish to calculate=36,92 SWITCH130The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3500528633594513} WEIGHT130A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS131the atoms involved in each of the contacts you wish to calculate=36,94 SWITCH131The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43580034375190735} WEIGHT131A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS132the atoms involved in each of the contacts you wish to calculate=36,96 SWITCH132The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40144357085227966} WEIGHT132A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS133the atoms involved in each of the contacts you wish to calculate=36,99 SWITCH133The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33044666051864624} WEIGHT133A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS134the atoms involved in each of the contacts you wish to calculate=36,102 SWITCH134The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4292656183242798} WEIGHT134A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS135the atoms involved in each of the contacts you wish to calculate=36,103 SWITCH135The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5437250137329102} WEIGHT135A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS136the atoms involved in each of the contacts you wish to calculate=36,104 SWITCH136The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.425189346075058} WEIGHT136A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS137the atoms involved in each of the contacts you wish to calculate=36,105 SWITCH137The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5624597072601318} WEIGHT137A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS138the atoms involved in each of the contacts you wish to calculate=36,107 SWITCH138The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5755848288536072} WEIGHT138A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS139the atoms involved in each of the contacts you wish to calculate=39,107 SWITCH139The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5676847696304321} WEIGHT139A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS140the atoms involved in each of the contacts you wish to calculate=39,116 SWITCH140The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5261891484260559} WEIGHT140A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS141the atoms involved in each of the contacts you wish to calculate=41,116 SWITCH141The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5332269668579102} WEIGHT141A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS142the atoms involved in each of the contacts you wish to calculate=44,116 SWITCH142The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5894896388053894} WEIGHT142A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS143the atoms involved in each of the contacts you wish to calculate=50,107 SWITCH143The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4583916962146759} WEIGHT143A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS144the atoms involved in each of the contacts you wish to calculate=50,109 SWITCH144The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5634260773658752} WEIGHT144A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS145the atoms involved in each of the contacts you wish to calculate=50,111 SWITCH145The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5460485219955444} WEIGHT145A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS146the atoms involved in each of the contacts you wish to calculate=50,114 SWITCH146The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5445418953895569} WEIGHT146A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS147the atoms involved in each of the contacts you wish to calculate=50,116 SWITCH147The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.454825222492218} WEIGHT147A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS148the atoms involved in each of the contacts you wish to calculate=50,119 SWITCH148The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5761700868606567} WEIGHT148A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS149the atoms involved in each of the contacts you wish to calculate=50,2467 SWITCH149The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5215869545936584} WEIGHT149A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS150the atoms involved in each of the contacts you wish to calculate=50,2469 SWITCH150The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4756511151790619} WEIGHT150A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS151the atoms involved in each of the contacts you wish to calculate=50,2473 SWITCH151The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5373173356056213} WEIGHT151A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS152the atoms involved in each of the contacts you wish to calculate=51,107 SWITCH152The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3512035310268402} WEIGHT152A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS153the atoms involved in each of the contacts you wish to calculate=51,109 SWITCH153The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4492548704147339} WEIGHT153A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS154the atoms involved in each of the contacts you wish to calculate=51,111 SWITCH154The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42769375443458557} WEIGHT154A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS155the atoms involved in each of the contacts you wish to calculate=51,114 SWITCH155The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42310860753059387} WEIGHT155A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS156the atoms involved in each of the contacts you wish to calculate=51,115 SWITCH156The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5373954772949219} WEIGHT156A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS157the atoms involved in each of the contacts you wish to calculate=51,116 SWITCH157The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33929479122161865} WEIGHT157A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS158the atoms involved in each of the contacts you wish to calculate=51,117 SWITCH158The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5323475003242493} WEIGHT158A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS159the atoms involved in each of the contacts you wish to calculate=51,119 SWITCH159The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4923524558544159} WEIGHT159A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS160the atoms involved in each of the contacts you wish to calculate=51,123 SWITCH160The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5943962931632996} WEIGHT160A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS161the atoms involved in each of the contacts you wish to calculate=51,2465 SWITCH161The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5987828969955444} WEIGHT161A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS162the atoms involved in each of the contacts you wish to calculate=51,2467 SWITCH162The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4938642978668213} WEIGHT162A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS163the atoms involved in each of the contacts you wish to calculate=51,2469 SWITCH163The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4193268120288849} WEIGHT163A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS164the atoms involved in each of the contacts you wish to calculate=51,2471 SWITCH164The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5826576352119446} WEIGHT164A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS165the atoms involved in each of the contacts you wish to calculate=51,2473 SWITCH165The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.472708135843277} WEIGHT165A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS166the atoms involved in each of the contacts you wish to calculate=52,119 SWITCH166The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5727643370628357} WEIGHT166A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS167the atoms involved in each of the contacts you wish to calculate=52,123 SWITCH167The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5799266695976257} WEIGHT167A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS168the atoms involved in each of the contacts you wish to calculate=52,2465 SWITCH168The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5586277842521667} WEIGHT168A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS169the atoms involved in each of the contacts you wish to calculate=52,2467 SWITCH169The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48920953273773193} WEIGHT169A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS170the atoms involved in each of the contacts you wish to calculate=52,2469 SWITCH170The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46481287479400635} WEIGHT170A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS171the atoms involved in each of the contacts you wish to calculate=52,2471 SWITCH171The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5834671854972839} WEIGHT171A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS172the atoms involved in each of the contacts you wish to calculate=52,2473 SWITCH172The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5161675810813904} WEIGHT172A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS173the atoms involved in each of the contacts you wish to calculate=54,119 SWITCH173The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4688571095466614} WEIGHT173A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS174the atoms involved in each of the contacts you wish to calculate=54,121 SWITCH174The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5248894691467285} WEIGHT174A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS175the atoms involved in each of the contacts you wish to calculate=54,123 SWITCH175The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44589123129844666} WEIGHT175A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS176the atoms involved in each of the contacts you wish to calculate=54,126 SWITCH176The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5581764578819275} WEIGHT176A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS177the atoms involved in each of the contacts you wish to calculate=54,2461 SWITCH177The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5824396014213562} WEIGHT177A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS178the atoms involved in each of the contacts you wish to calculate=54,2464 SWITCH178The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47980302572250366} WEIGHT178A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS179the atoms involved in each of the contacts you wish to calculate=54,2465 SWITCH179The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45808839797973633} WEIGHT179A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS180the atoms involved in each of the contacts you wish to calculate=54,2467 SWITCH180The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41009020805358887} WEIGHT180A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS181the atoms involved in each of the contacts you wish to calculate=54,2469 SWITCH181The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3808766007423401} WEIGHT181A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS182the atoms involved in each of the contacts you wish to calculate=54,2471 SWITCH182The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45462286472320557} WEIGHT182A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS183the atoms involved in each of the contacts you wish to calculate=54,2473 SWITCH183The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40514808893203735} WEIGHT183A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS184the atoms involved in each of the contacts you wish to calculate=54,2611 SWITCH184The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550179481506348} WEIGHT184A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS185the atoms involved in each of the contacts you wish to calculate=56,119 SWITCH185The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5571543574333191} WEIGHT185A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS186the atoms involved in each of the contacts you wish to calculate=56,121 SWITCH186The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5771732926368713} WEIGHT186A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS187the atoms involved in each of the contacts you wish to calculate=56,123 SWITCH187The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.465721994638443} WEIGHT187A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS188the atoms involved in each of the contacts you wish to calculate=56,126 SWITCH188The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5412106513977051} WEIGHT188A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS189the atoms involved in each of the contacts you wish to calculate=56,2461 SWITCH189The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5277404189109802} WEIGHT189A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS190the atoms involved in each of the contacts you wish to calculate=56,2464 SWITCH190The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4581363797187805} WEIGHT190A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS191the atoms involved in each of the contacts you wish to calculate=56,2465 SWITCH191The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4401760697364807} WEIGHT191A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS192the atoms involved in each of the contacts you wish to calculate=56,2467 SWITCH192The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43476659059524536} WEIGHT192A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS193the atoms involved in each of the contacts you wish to calculate=56,2469 SWITCH193The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4461759626865387} WEIGHT193A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS194the atoms involved in each of the contacts you wish to calculate=56,2471 SWITCH194The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4685274362564087} WEIGHT194A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS195the atoms involved in each of the contacts you wish to calculate=56,2473 SWITCH195The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46275800466537476} WEIGHT195A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS196the atoms involved in each of the contacts you wish to calculate=56,2538 SWITCH196The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5897083282470703} WEIGHT196A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS197the atoms involved in each of the contacts you wish to calculate=56,2544 SWITCH197The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5949806571006775} WEIGHT197A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS198the atoms involved in each of the contacts you wish to calculate=56,2545 SWITCH198The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5031113028526306} WEIGHT198A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS199the atoms involved in each of the contacts you wish to calculate=56,2603 SWITCH199The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5418763160705566} WEIGHT199A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS200the atoms involved in each of the contacts you wish to calculate=56,2605 SWITCH200The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5052533745765686} WEIGHT200A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS201the atoms involved in each of the contacts you wish to calculate=56,2607 SWITCH201The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49276968836784363} WEIGHT201A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS202the atoms involved in each of the contacts you wish to calculate=56,2611 SWITCH202The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4140470623970032} WEIGHT202A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS203the atoms involved in each of the contacts you wish to calculate=58,119 SWITCH203The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.505845844745636} WEIGHT203A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS204the atoms involved in each of the contacts you wish to calculate=58,121 SWITCH204The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49054867029190063} WEIGHT204A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS205the atoms involved in each of the contacts you wish to calculate=58,123 SWITCH205The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36446672677993774} WEIGHT205A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS206the atoms involved in each of the contacts you wish to calculate=58,126 SWITCH206The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41433557868003845} WEIGHT206A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS207the atoms involved in each of the contacts you wish to calculate=58,128 SWITCH207The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.527395486831665} WEIGHT207A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS208the atoms involved in each of the contacts you wish to calculate=58,132 SWITCH208The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5016961097717285} WEIGHT208A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS209the atoms involved in each of the contacts you wish to calculate=58,2459 SWITCH209The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5468034148216248} WEIGHT209A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS210the atoms involved in each of the contacts you wish to calculate=58,2461 SWITCH210The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4069041311740875} WEIGHT210A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS211the atoms involved in each of the contacts you wish to calculate=58,2464 SWITCH211The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36324644088745117} WEIGHT211A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS212the atoms involved in each of the contacts you wish to calculate=58,2465 SWITCH212The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3867790102958679} WEIGHT212A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS213the atoms involved in each of the contacts you wish to calculate=58,2467 SWITCH213The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42064356803894043} WEIGHT213A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS214the atoms involved in each of the contacts you wish to calculate=58,2469 SWITCH214The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43141627311706543} WEIGHT214A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS215the atoms involved in each of the contacts you wish to calculate=58,2471 SWITCH215The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3751066029071808} WEIGHT215A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS216the atoms involved in each of the contacts you wish to calculate=58,2473 SWITCH216The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40966570377349854} WEIGHT216A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS217the atoms involved in each of the contacts you wish to calculate=58,2476 SWITCH217The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5798593759536743} WEIGHT217A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS218the atoms involved in each of the contacts you wish to calculate=58,2536 SWITCH218The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5799698233604431} WEIGHT218A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS219the atoms involved in each of the contacts you wish to calculate=58,2538 SWITCH219The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5223800539970398} WEIGHT219A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS220the atoms involved in each of the contacts you wish to calculate=58,2541 SWITCH220The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825065970420837} WEIGHT220A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS221the atoms involved in each of the contacts you wish to calculate=58,2544 SWITCH221The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5131286382675171} WEIGHT221A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS222the atoms involved in each of the contacts you wish to calculate=58,2545 SWITCH222The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43519648909568787} WEIGHT222A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS223the atoms involved in each of the contacts you wish to calculate=58,2546 SWITCH223The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5814653635025024} WEIGHT223A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS224the atoms involved in each of the contacts you wish to calculate=58,2548 SWITCH224The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5824714303016663} WEIGHT224A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS225the atoms involved in each of the contacts you wish to calculate=58,2559 SWITCH225The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5425218343734741} WEIGHT225A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS226the atoms involved in each of the contacts you wish to calculate=58,2601 SWITCH226The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5872052311897278} WEIGHT226A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS227the atoms involved in each of the contacts you wish to calculate=58,2603 SWITCH227The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5295969843864441} WEIGHT227A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS228the atoms involved in each of the contacts you wish to calculate=58,2605 SWITCH228The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45819857716560364} WEIGHT228A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS229the atoms involved in each of the contacts you wish to calculate=58,2607 SWITCH229The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46102163195610046} WEIGHT229A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS230the atoms involved in each of the contacts you wish to calculate=58,2611 SWITCH230The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3391665816307068} WEIGHT230A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS231the atoms involved in each of the contacts you wish to calculate=62,123 SWITCH231The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5930843353271484} WEIGHT231A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS232the atoms involved in each of the contacts you wish to calculate=62,2461 SWITCH232The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5372950434684753} WEIGHT232A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS233the atoms involved in each of the contacts you wish to calculate=62,2464 SWITCH233The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4698350429534912} WEIGHT233A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS234the atoms involved in each of the contacts you wish to calculate=62,2465 SWITCH234The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4113987982273102} WEIGHT234A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS235the atoms involved in each of the contacts you wish to calculate=62,2467 SWITCH235The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4066939651966095} WEIGHT235A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS236the atoms involved in each of the contacts you wish to calculate=62,2469 SWITCH236The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4599880278110504} WEIGHT236A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS237the atoms involved in each of the contacts you wish to calculate=62,2471 SWITCH237The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5162479877471924} WEIGHT237A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS238the atoms involved in each of the contacts you wish to calculate=62,2473 SWITCH238The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5118290185928345} WEIGHT238A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS239the atoms involved in each of the contacts you wish to calculate=62,2536 SWITCH239The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5698596239089966} WEIGHT239A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS240the atoms involved in each of the contacts you wish to calculate=62,2538 SWITCH240The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5144258737564087} WEIGHT240A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS241the atoms involved in each of the contacts you wish to calculate=62,2541 SWITCH241The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5126606225967407} WEIGHT241A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS242the atoms involved in each of the contacts you wish to calculate=62,2542 SWITCH242The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.536664605140686} WEIGHT242A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS243the atoms involved in each of the contacts you wish to calculate=62,2543 SWITCH243The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5333160161972046} WEIGHT243A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS244the atoms involved in each of the contacts you wish to calculate=62,2544 SWITCH244The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5496544241905212} WEIGHT244A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS245the atoms involved in each of the contacts you wish to calculate=62,2545 SWITCH245The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46315979957580566} WEIGHT245A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS246the atoms involved in each of the contacts you wish to calculate=62,2601 SWITCH246The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.598014235496521} WEIGHT246A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS247the atoms involved in each of the contacts you wish to calculate=62,2603 SWITCH247The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5578117966651917} WEIGHT247A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS248the atoms involved in each of the contacts you wish to calculate=62,2605 SWITCH248The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5557886362075806} WEIGHT248A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS249the atoms involved in each of the contacts you wish to calculate=62,2607 SWITCH249The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5759896039962769} WEIGHT249A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS250the atoms involved in each of the contacts you wish to calculate=62,2611 SWITCH250The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45893463492393494} WEIGHT250A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS251the atoms involved in each of the contacts you wish to calculate=65,2461 SWITCH251The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.514797031879425} WEIGHT251A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS252the atoms involved in each of the contacts you wish to calculate=65,2464 SWITCH252The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4881341755390167} WEIGHT252A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS253the atoms involved in each of the contacts you wish to calculate=65,2465 SWITCH253The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4367527961730957} WEIGHT253A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS254the atoms involved in each of the contacts you wish to calculate=65,2467 SWITCH254The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47396835684776306} WEIGHT254A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS255the atoms involved in each of the contacts you wish to calculate=65,2469 SWITCH255The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5524011254310608} WEIGHT255A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS256the atoms involved in each of the contacts you wish to calculate=65,2471 SWITCH256The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5642286539077759} WEIGHT256A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS257the atoms involved in each of the contacts you wish to calculate=65,2473 SWITCH257The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5931483507156372} WEIGHT257A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS258the atoms involved in each of the contacts you wish to calculate=65,2534 SWITCH258The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5855545401573181} WEIGHT258A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS259the atoms involved in each of the contacts you wish to calculate=65,2536 SWITCH259The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4398113191127777} WEIGHT259A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS260the atoms involved in each of the contacts you wish to calculate=65,2538 SWITCH260The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4140555262565613} WEIGHT260A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS261the atoms involved in each of the contacts you wish to calculate=65,2541 SWITCH261The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42745405435562134} WEIGHT261A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS262the atoms involved in each of the contacts you wish to calculate=65,2542 SWITCH262The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4373202323913574} WEIGHT262A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS263the atoms involved in each of the contacts you wish to calculate=65,2543 SWITCH263The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48121926188468933} WEIGHT263A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS264the atoms involved in each of the contacts you wish to calculate=65,2544 SWITCH264The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4164300560951233} WEIGHT264A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS265the atoms involved in each of the contacts you wish to calculate=65,2545 SWITCH265The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3261701762676239} WEIGHT265A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS266the atoms involved in each of the contacts you wish to calculate=65,2546 SWITCH266The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.53398597240448} WEIGHT266A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS267the atoms involved in each of the contacts you wish to calculate=65,2548 SWITCH267The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825890302658081} WEIGHT267A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS268the atoms involved in each of the contacts you wish to calculate=65,2564 SWITCH268The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5870212316513062} WEIGHT268A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS269the atoms involved in each of the contacts you wish to calculate=65,2586 SWITCH269The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5915479063987732} WEIGHT269A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS270the atoms involved in each of the contacts you wish to calculate=65,2588 SWITCH270The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5352625250816345} WEIGHT270A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS271the atoms involved in each of the contacts you wish to calculate=65,2599 SWITCH271The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5282433032989502} WEIGHT271A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS272the atoms involved in each of the contacts you wish to calculate=65,2600 SWITCH272The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5642463564872742} WEIGHT272A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS273the atoms involved in each of the contacts you wish to calculate=65,2601 SWITCH273The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48008018732070923} WEIGHT273A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS274the atoms involved in each of the contacts you wish to calculate=65,2603 SWITCH274The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47031688690185547} WEIGHT274A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS275the atoms involved in each of the contacts you wish to calculate=65,2605 SWITCH275The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4844264090061188} WEIGHT275A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS276the atoms involved in each of the contacts you wish to calculate=65,2607 SWITCH276The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5429861545562744} WEIGHT276A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS277the atoms involved in each of the contacts you wish to calculate=65,2611 SWITCH277The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3819226920604706} WEIGHT277A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS278the atoms involved in each of the contacts you wish to calculate=69,119 SWITCH278The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3728444278240204} WEIGHT278A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS279the atoms involved in each of the contacts you wish to calculate=69,121 SWITCH279The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4268149435520172} WEIGHT279A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS280the atoms involved in each of the contacts you wish to calculate=69,123 SWITCH280The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3519900143146515} WEIGHT280A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS281the atoms involved in each of the contacts you wish to calculate=69,126 SWITCH281The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47339093685150146} WEIGHT281A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS282the atoms involved in each of the contacts you wish to calculate=69,128 SWITCH282The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5413861274719238} WEIGHT282A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS283the atoms involved in each of the contacts you wish to calculate=69,132 SWITCH283The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5894726514816284} WEIGHT283A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS284the atoms involved in each of the contacts you wish to calculate=69,136 SWITCH284The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.527609646320343} WEIGHT284A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS285the atoms involved in each of the contacts you wish to calculate=69,138 SWITCH285The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5249732732772827} WEIGHT285A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS286the atoms involved in each of the contacts you wish to calculate=69,2464 SWITCH286The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269506573677063} WEIGHT286A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS287the atoms involved in each of the contacts you wish to calculate=69,2465 SWITCH287The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5415283441543579} WEIGHT287A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS288the atoms involved in each of the contacts you wish to calculate=69,2467 SWITCH288The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5013920068740845} WEIGHT288A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS289the atoms involved in each of the contacts you wish to calculate=69,2469 SWITCH289The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43850767612457275} WEIGHT289A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS290the atoms involved in each of the contacts you wish to calculate=69,2471 SWITCH290The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4670652747154236} WEIGHT290A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS291the atoms involved in each of the contacts you wish to calculate=69,2473 SWITCH291The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4189164340496063} WEIGHT291A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS292the atoms involved in each of the contacts you wish to calculate=69,2607 SWITCH292The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5837138891220093} WEIGHT292A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS293the atoms involved in each of the contacts you wish to calculate=69,2611 SWITCH293The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5749373435974121} WEIGHT293A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS294the atoms involved in each of the contacts you wish to calculate=70,119 SWITCH294The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2518829107284546} WEIGHT294A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS295the atoms involved in each of the contacts you wish to calculate=70,121 SWITCH295The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.32347333431243896} WEIGHT295A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS296the atoms involved in each of the contacts you wish to calculate=70,123 SWITCH296The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2846067547798157} WEIGHT296A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS297the atoms involved in each of the contacts you wish to calculate=70,126 SWITCH297The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4275266230106354} WEIGHT297A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS298the atoms involved in each of the contacts you wish to calculate=70,128 SWITCH298The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.496599406003952} WEIGHT298A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS299the atoms involved in each of the contacts you wish to calculate=70,132 SWITCH299The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5297338962554932} WEIGHT299A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS300the atoms involved in each of the contacts you wish to calculate=70,136 SWITCH300The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42718613147735596} WEIGHT300A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS301the atoms involved in each of the contacts you wish to calculate=70,137 SWITCH301The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5396026372909546} WEIGHT301A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS302the atoms involved in each of the contacts you wish to calculate=70,138 SWITCH302The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42529162764549255} WEIGHT302A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS303the atoms involved in each of the contacts you wish to calculate=70,140 SWITCH303The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.558323323726654} WEIGHT303A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS304the atoms involved in each of the contacts you wish to calculate=70,142 SWITCH304The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5902652144432068} WEIGHT304A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS305the atoms involved in each of the contacts you wish to calculate=70,154 SWITCH305The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5679462552070618} WEIGHT305A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS306the atoms involved in each of the contacts you wish to calculate=70,2464 SWITCH306The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5006445646286011} WEIGHT306A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS307the atoms involved in each of the contacts you wish to calculate=70,2465 SWITCH307The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.532699704170227} WEIGHT307A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS308the atoms involved in each of the contacts you wish to calculate=70,2467 SWITCH308The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4880101978778839} WEIGHT308A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS309the atoms involved in each of the contacts you wish to calculate=70,2469 SWITCH309The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39752355217933655} WEIGHT309A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS310the atoms involved in each of the contacts you wish to calculate=70,2471 SWITCH310The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4124245047569275} WEIGHT310A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS311the atoms involved in each of the contacts you wish to calculate=70,2473 SWITCH311The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35187920928001404} WEIGHT311A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS312the atoms involved in each of the contacts you wish to calculate=71,138 SWITCH312The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5477635860443115} WEIGHT312A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS313the atoms involved in each of the contacts you wish to calculate=71,2469 SWITCH313The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5695550441741943} WEIGHT313A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS314the atoms involved in each of the contacts you wish to calculate=71,2471 SWITCH314The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5797499418258667} WEIGHT314A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS315the atoms involved in each of the contacts you wish to calculate=71,2473 SWITCH315The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5449045896530151} WEIGHT315A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS316the atoms involved in each of the contacts you wish to calculate=71,2607 SWITCH316The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5113178491592407} WEIGHT316A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS317the atoms involved in each of the contacts you wish to calculate=71,2611 SWITCH317The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5579632520675659} WEIGHT317A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS318the atoms involved in each of the contacts you wish to calculate=73,138 SWITCH318The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4662037789821625} WEIGHT318A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS319the atoms involved in each of the contacts you wish to calculate=73,140 SWITCH319The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5502925515174866} WEIGHT319A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS320the atoms involved in each of the contacts you wish to calculate=73,142 SWITCH320The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5086000561714172} WEIGHT320A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS321the atoms involved in each of the contacts you wish to calculate=73,154 SWITCH321The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5744997262954712} WEIGHT321A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS322the atoms involved in each of the contacts you wish to calculate=73,2607 SWITCH322The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5406893491744995} WEIGHT322A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS323the atoms involved in each of the contacts you wish to calculate=75,138 SWITCH323The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5813199877738953} WEIGHT323A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS324the atoms involved in each of the contacts you wish to calculate=75,142 SWITCH324The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5661492943763733} WEIGHT324A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS325the atoms involved in each of the contacts you wish to calculate=75,595 SWITCH325The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5409870743751526} WEIGHT325A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS326the atoms involved in each of the contacts you wish to calculate=75,2607 SWITCH326The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5272703170776367} WEIGHT326A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS327the atoms involved in each of the contacts you wish to calculate=78,595 SWITCH327The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321522355079651} WEIGHT327A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS328the atoms involved in each of the contacts you wish to calculate=78,660 SWITCH328The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5743744373321533} WEIGHT328A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS329the atoms involved in each of the contacts you wish to calculate=78,661 SWITCH329The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5494751930236816} WEIGHT329A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS330the atoms involved in each of the contacts you wish to calculate=78,663 SWITCH330The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5500572919845581} WEIGHT330A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS331the atoms involved in each of the contacts you wish to calculate=78,665 SWITCH331The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5729930400848389} WEIGHT331A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS332the atoms involved in each of the contacts you wish to calculate=78,668 SWITCH332The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5960973501205444} WEIGHT332A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS333the atoms involved in each of the contacts you wish to calculate=78,670 SWITCH333The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5964377522468567} WEIGHT333A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS334the atoms involved in each of the contacts you wish to calculate=78,2605 SWITCH334The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5534022450447083} WEIGHT334A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS335the atoms involved in each of the contacts you wish to calculate=78,2607 SWITCH335The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4091589152812958} WEIGHT335A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS336the atoms involved in each of the contacts you wish to calculate=78,2611 SWITCH336The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5891977548599243} WEIGHT336A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS337the atoms involved in each of the contacts you wish to calculate=78,2678 SWITCH337The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441010594367981} WEIGHT337A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS338the atoms involved in each of the contacts you wish to calculate=78,2680 SWITCH338The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5764555335044861} WEIGHT338A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS339the atoms involved in each of the contacts you wish to calculate=78,2684 SWITCH339The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5304809212684631} WEIGHT339A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS340the atoms involved in each of the contacts you wish to calculate=79,142 SWITCH340The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5594711899757385} WEIGHT340A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS341the atoms involved in each of the contacts you wish to calculate=79,595 SWITCH341The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5337883234024048} WEIGHT341A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS342the atoms involved in each of the contacts you wish to calculate=79,657 SWITCH342The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099999904632568} WEIGHT342A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS343the atoms involved in each of the contacts you wish to calculate=79,660 SWITCH343The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44384005665779114} WEIGHT343A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS344the atoms involved in each of the contacts you wish to calculate=79,661 SWITCH344The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.411265105009079} WEIGHT344A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS345the atoms involved in each of the contacts you wish to calculate=79,663 SWITCH345The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4145781397819519} WEIGHT345A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS346the atoms involved in each of the contacts you wish to calculate=79,665 SWITCH346The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44745615124702454} WEIGHT346A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS347the atoms involved in each of the contacts you wish to calculate=79,666 SWITCH347The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5085675716400146} WEIGHT347A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS348the atoms involved in each of the contacts you wish to calculate=79,668 SWITCH348The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4742699861526489} WEIGHT348A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS349the atoms involved in each of the contacts you wish to calculate=79,670 SWITCH349The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4770597517490387} WEIGHT349A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS350the atoms involved in each of the contacts you wish to calculate=79,2605 SWITCH350The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5030527114868164} WEIGHT350A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS351the atoms involved in each of the contacts you wish to calculate=79,2607 SWITCH351The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36100277304649353} WEIGHT351A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS352the atoms involved in each of the contacts you wish to calculate=79,2611 SWITCH352The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.537484884262085} WEIGHT352A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS353the atoms involved in each of the contacts you wish to calculate=79,2678 SWITCH353The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5346755981445312} WEIGHT353A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS354the atoms involved in each of the contacts you wish to calculate=79,2680 SWITCH354The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5795075297355652} WEIGHT354A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS355the atoms involved in each of the contacts you wish to calculate=79,2684 SWITCH355The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5288572311401367} WEIGHT355A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS356the atoms involved in each of the contacts you wish to calculate=81,595 SWITCH356The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5786786675453186} WEIGHT356A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS357the atoms involved in each of the contacts you wish to calculate=81,613 SWITCH357The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5563380122184753} WEIGHT357A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS358the atoms involved in each of the contacts you wish to calculate=81,655 SWITCH358The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5928802490234375} WEIGHT358A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS359the atoms involved in each of the contacts you wish to calculate=81,657 SWITCH359The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4654642641544342} WEIGHT359A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS360the atoms involved in each of the contacts you wish to calculate=81,660 SWITCH360The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37397992610931396} WEIGHT360A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS361the atoms involved in each of the contacts you wish to calculate=81,661 SWITCH361The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36110106110572815} WEIGHT361A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS362the atoms involved in each of the contacts you wish to calculate=81,663 SWITCH362The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34724920988082886} WEIGHT362A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS363the atoms involved in each of the contacts you wish to calculate=81,665 SWITCH363The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34329870343208313} WEIGHT363A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS364the atoms involved in each of the contacts you wish to calculate=81,666 SWITCH364The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4047394096851349} WEIGHT364A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS365the atoms involved in each of the contacts you wish to calculate=81,668 SWITCH365The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36953622102737427} WEIGHT365A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS366the atoms involved in each of the contacts you wish to calculate=81,670 SWITCH366The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35563042759895325} WEIGHT366A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS367the atoms involved in each of the contacts you wish to calculate=81,2603 SWITCH367The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5475637316703796} WEIGHT367A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS368the atoms involved in each of the contacts you wish to calculate=81,2605 SWITCH368The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4423268139362335} WEIGHT368A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS369the atoms involved in each of the contacts you wish to calculate=81,2607 SWITCH369The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2993426024913788} WEIGHT369A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS370the atoms involved in each of the contacts you wish to calculate=81,2611 SWITCH370The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5084987878799438} WEIGHT370A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS371the atoms involved in each of the contacts you wish to calculate=81,2615 SWITCH371The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5406792163848877} WEIGHT371A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS372the atoms involved in each of the contacts you wish to calculate=81,2616 SWITCH372The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5521240830421448} WEIGHT372A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS373the atoms involved in each of the contacts you wish to calculate=81,2617 SWITCH373The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5704919099807739} WEIGHT373A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS374the atoms involved in each of the contacts you wish to calculate=81,2672 SWITCH374The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49500909447669983} WEIGHT374A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS375the atoms involved in each of the contacts you wish to calculate=81,2675 SWITCH375The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5409741401672363} WEIGHT375A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS376the atoms involved in each of the contacts you wish to calculate=81,2678 SWITCH376The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4555644690990448} WEIGHT376A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS377the atoms involved in each of the contacts you wish to calculate=81,2680 SWITCH377The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5254369378089905} WEIGHT377A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS378the atoms involved in each of the contacts you wish to calculate=81,2684 SWITCH378The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49728158116340637} WEIGHT378A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS379the atoms involved in each of the contacts you wish to calculate=83,613 SWITCH379The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5380910634994507} WEIGHT379A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS380the atoms involved in each of the contacts you wish to calculate=83,657 SWITCH380The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5544375777244568} WEIGHT380A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS381the atoms involved in each of the contacts you wish to calculate=83,660 SWITCH381The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46308204531669617} WEIGHT381A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS382the atoms involved in each of the contacts you wish to calculate=83,661 SWITCH382The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47330963611602783} WEIGHT382A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS383the atoms involved in each of the contacts you wish to calculate=83,663 SWITCH383The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4469250440597534} WEIGHT383A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS384the atoms involved in each of the contacts you wish to calculate=83,665 SWITCH384The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40341541171073914} WEIGHT384A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS385the atoms involved in each of the contacts you wish to calculate=83,666 SWITCH385The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4404633641242981} WEIGHT385A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS386the atoms involved in each of the contacts you wish to calculate=83,668 SWITCH386The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42044857144355774} WEIGHT386A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS387the atoms involved in each of the contacts you wish to calculate=83,670 SWITCH387The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3897114396095276} WEIGHT387A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS388the atoms involved in each of the contacts you wish to calculate=83,1300 SWITCH388The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5976796746253967} WEIGHT388A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS389the atoms involved in each of the contacts you wish to calculate=83,2603 SWITCH389The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5093761086463928} WEIGHT389A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS390the atoms involved in each of the contacts you wish to calculate=83,2605 SWITCH390The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4374139904975891} WEIGHT390A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS391the atoms involved in each of the contacts you wish to calculate=83,2607 SWITCH391The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.29243460297584534} WEIGHT391A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS392the atoms involved in each of the contacts you wish to calculate=83,2611 SWITCH392The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5360270738601685} WEIGHT392A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS393the atoms involved in each of the contacts you wish to calculate=83,2615 SWITCH393The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4678204655647278} WEIGHT393A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS394the atoms involved in each of the contacts you wish to calculate=83,2616 SWITCH394The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4588605761528015} WEIGHT394A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS395the atoms involved in each of the contacts you wish to calculate=83,2617 SWITCH395The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49652087688446045} WEIGHT395A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS396the atoms involved in each of the contacts you wish to calculate=83,2618 SWITCH396The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5639095902442932} WEIGHT396A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS397the atoms involved in each of the contacts you wish to calculate=83,2621 SWITCH397The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.520748496055603} WEIGHT397A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS398the atoms involved in each of the contacts you wish to calculate=83,2665 SWITCH398The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5285735130310059} WEIGHT398A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS399the atoms involved in each of the contacts you wish to calculate=83,2667 SWITCH399The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5291739106178284} WEIGHT399A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS400the atoms involved in each of the contacts you wish to calculate=83,2669 SWITCH400The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4898703992366791} WEIGHT400A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS401the atoms involved in each of the contacts you wish to calculate=83,2672 SWITCH401The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37011080980300903} WEIGHT401A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS402the atoms involved in each of the contacts you wish to calculate=83,2675 SWITCH402The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4307609498500824} WEIGHT402A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS403the atoms involved in each of the contacts you wish to calculate=83,2678 SWITCH403The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36832186579704285} WEIGHT403A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS404the atoms involved in each of the contacts you wish to calculate=83,2680 SWITCH404The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45705360174179077} WEIGHT404A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS405the atoms involved in each of the contacts you wish to calculate=83,2681 SWITCH405The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5753790140151978} WEIGHT405A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS406the atoms involved in each of the contacts you wish to calculate=83,2684 SWITCH406The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4617304503917694} WEIGHT406A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS407the atoms involved in each of the contacts you wish to calculate=84,611 SWITCH407The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5776824355125427} WEIGHT407A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS408the atoms involved in each of the contacts you wish to calculate=84,612 SWITCH408The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5904743671417236} WEIGHT408A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS409the atoms involved in each of the contacts you wish to calculate=84,613 SWITCH409The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4805174171924591} WEIGHT409A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS410the atoms involved in each of the contacts you wish to calculate=84,657 SWITCH410The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5664891600608826} WEIGHT410A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS411the atoms involved in each of the contacts you wish to calculate=84,660 SWITCH411The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4628865718841553} WEIGHT411A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS412the atoms involved in each of the contacts you wish to calculate=84,661 SWITCH412The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4921676516532898} WEIGHT412A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS413the atoms involved in each of the contacts you wish to calculate=84,663 SWITCH413The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4532119035720825} WEIGHT413A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS414the atoms involved in each of the contacts you wish to calculate=84,665 SWITCH414The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3705846667289734} WEIGHT414A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS415the atoms involved in each of the contacts you wish to calculate=84,666 SWITCH415The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39513665437698364} WEIGHT415A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS416the atoms involved in each of the contacts you wish to calculate=84,668 SWITCH416The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3812532126903534} WEIGHT416A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS417the atoms involved in each of the contacts you wish to calculate=84,670 SWITCH417The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.328198105096817} WEIGHT417A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS418the atoms involved in each of the contacts you wish to calculate=84,1298 SWITCH418The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5850760340690613} WEIGHT418A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS419the atoms involved in each of the contacts you wish to calculate=84,1300 SWITCH419The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47287842631340027} WEIGHT419A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS420the atoms involved in each of the contacts you wish to calculate=84,1301 SWITCH420The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5242957472801208} WEIGHT420A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS421the atoms involved in each of the contacts you wish to calculate=84,1854 SWITCH421The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5893479585647583} WEIGHT421A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS422the atoms involved in each of the contacts you wish to calculate=84,2603 SWITCH422The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4980331361293793} WEIGHT422A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS423the atoms involved in each of the contacts you wish to calculate=84,2605 SWITCH423The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4368913173675537} WEIGHT423A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS424the atoms involved in each of the contacts you wish to calculate=84,2607 SWITCH424The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31898748874664307} WEIGHT424A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS425the atoms involved in each of the contacts you wish to calculate=84,2611 SWITCH425The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5603195428848267} WEIGHT425A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS426the atoms involved in each of the contacts you wish to calculate=84,2615 SWITCH426The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42758509516716003} WEIGHT426A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS427the atoms involved in each of the contacts you wish to calculate=84,2616 SWITCH427The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43093153834342957} WEIGHT427A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS428the atoms involved in each of the contacts you wish to calculate=84,2617 SWITCH428The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42054489254951477} WEIGHT428A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS429the atoms involved in each of the contacts you wish to calculate=84,2618 SWITCH429The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48204874992370605} WEIGHT429A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS430the atoms involved in each of the contacts you wish to calculate=84,2621 SWITCH430The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4201594889163971} WEIGHT430A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS431the atoms involved in each of the contacts you wish to calculate=84,2623 SWITCH431The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5090550184249878} WEIGHT431A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS432the atoms involved in each of the contacts you wish to calculate=84,2626 SWITCH432The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5623540282249451} WEIGHT432A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS433the atoms involved in each of the contacts you wish to calculate=84,2629 SWITCH433The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5232294201850891} WEIGHT433A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS434the atoms involved in each of the contacts you wish to calculate=84,2630 SWITCH434The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5527838468551636} WEIGHT434A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS435the atoms involved in each of the contacts you wish to calculate=84,2663 SWITCH435The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5927638411521912} WEIGHT435A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS436the atoms involved in each of the contacts you wish to calculate=84,2665 SWITCH436The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48623141646385193} WEIGHT436A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS437the atoms involved in each of the contacts you wish to calculate=84,2667 SWITCH437The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47543033957481384} WEIGHT437A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS438the atoms involved in each of the contacts you wish to calculate=84,2669 SWITCH438The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.401634156703949} WEIGHT438A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS439the atoms involved in each of the contacts you wish to calculate=84,2672 SWITCH439The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.28019100427627563} WEIGHT439A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS440the atoms involved in each of the contacts you wish to calculate=84,2675 SWITCH440The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3654777705669403} WEIGHT440A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS441the atoms involved in each of the contacts you wish to calculate=84,2678 SWITCH441The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3380443751811981} WEIGHT441A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS442the atoms involved in each of the contacts you wish to calculate=84,2680 SWITCH442The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45398786664009094} WEIGHT442A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS443the atoms involved in each of the contacts you wish to calculate=84,2681 SWITCH443The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5651317834854126} WEIGHT443A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS444the atoms involved in each of the contacts you wish to calculate=84,2684 SWITCH444The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48759204149246216} WEIGHT444A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS445the atoms involved in each of the contacts you wish to calculate=86,595 SWITCH445The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5740914344787598} WEIGHT445A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS446the atoms involved in each of the contacts you wish to calculate=86,2603 SWITCH446The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5949587821960449} WEIGHT446A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS447the atoms involved in each of the contacts you wish to calculate=86,2605 SWITCH447The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5474623441696167} WEIGHT447A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS448the atoms involved in each of the contacts you wish to calculate=86,2607 SWITCH448The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40191787481307983} WEIGHT448A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS449the atoms involved in each of the contacts you wish to calculate=86,2615 SWITCH449The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5744771361351013} WEIGHT449A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS450the atoms involved in each of the contacts you wish to calculate=86,2616 SWITCH450The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.528489351272583} WEIGHT450A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS451the atoms involved in each of the contacts you wish to calculate=86,2652 SWITCH451The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432062149047852} WEIGHT451A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS452the atoms involved in each of the contacts you wish to calculate=86,2665 SWITCH452The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5644838809967041} WEIGHT452A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS453the atoms involved in each of the contacts you wish to calculate=86,2667 SWITCH453The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825092196464539} WEIGHT453A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS454the atoms involved in each of the contacts you wish to calculate=86,2672 SWITCH454The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5106368660926819} WEIGHT454A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS455the atoms involved in each of the contacts you wish to calculate=86,2675 SWITCH455The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5458452105522156} WEIGHT455A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS456the atoms involved in each of the contacts you wish to calculate=86,2678 SWITCH456The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47124621272087097} WEIGHT456A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS457the atoms involved in each of the contacts you wish to calculate=86,2680 SWITCH457The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5132855176925659} WEIGHT457A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS458the atoms involved in each of the contacts you wish to calculate=86,2684 SWITCH458The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49608364701271057} WEIGHT458A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS459the atoms involved in each of the contacts you wish to calculate=88,660 SWITCH459The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5883969664573669} WEIGHT459A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS460the atoms involved in each of the contacts you wish to calculate=88,661 SWITCH460The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5967662930488586} WEIGHT460A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS461the atoms involved in each of the contacts you wish to calculate=88,663 SWITCH461The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739425420761108} WEIGHT461A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS462the atoms involved in each of the contacts you wish to calculate=88,665 SWITCH462The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5375928282737732} WEIGHT462A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS463the atoms involved in each of the contacts you wish to calculate=88,666 SWITCH463The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5634945034980774} WEIGHT463A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS464the atoms involved in each of the contacts you wish to calculate=88,668 SWITCH464The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5524536371231079} WEIGHT464A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS465the atoms involved in each of the contacts you wish to calculate=88,670 SWITCH465The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269772410392761} WEIGHT465A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS466the atoms involved in each of the contacts you wish to calculate=88,2603 SWITCH466The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5344286561012268} WEIGHT466A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS467the atoms involved in each of the contacts you wish to calculate=88,2605 SWITCH467The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4927119016647339} WEIGHT467A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS468the atoms involved in each of the contacts you wish to calculate=88,2607 SWITCH468The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3480890691280365} WEIGHT468A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS469the atoms involved in each of the contacts you wish to calculate=88,2611 SWITCH469The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5869965553283691} WEIGHT469A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS470the atoms involved in each of the contacts you wish to calculate=88,2615 SWITCH470The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48653674125671387} WEIGHT470A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS471the atoms involved in each of the contacts you wish to calculate=88,2616 SWITCH471The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4436225891113281} WEIGHT471A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS472the atoms involved in each of the contacts you wish to calculate=88,2617 SWITCH472The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5407264232635498} WEIGHT472A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS473the atoms involved in each of the contacts you wish to calculate=88,2621 SWITCH473The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5585525631904602} WEIGHT473A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS474the atoms involved in each of the contacts you wish to calculate=88,2648 SWITCH474The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5959513187408447} WEIGHT474A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS475the atoms involved in each of the contacts you wish to calculate=88,2650 SWITCH475The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5724080801010132} WEIGHT475A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS476the atoms involved in each of the contacts you wish to calculate=88,2652 SWITCH476The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5106260776519775} WEIGHT476A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS477the atoms involved in each of the contacts you wish to calculate=88,2663 SWITCH477The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5285886526107788} WEIGHT477A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS478the atoms involved in each of the contacts you wish to calculate=88,2664 SWITCH478The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5888029932975769} WEIGHT478A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS479the atoms involved in each of the contacts you wish to calculate=88,2665 SWITCH479The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46595922112464905} WEIGHT479A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS480the atoms involved in each of the contacts you wish to calculate=88,2667 SWITCH480The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47621527314186096} WEIGHT480A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS481the atoms involved in each of the contacts you wish to calculate=88,2669 SWITCH481The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4780386984348297} WEIGHT481A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS482the atoms involved in each of the contacts you wish to calculate=88,2672 SWITCH482The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3802052140235901} WEIGHT482A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS483the atoms involved in each of the contacts you wish to calculate=88,2675 SWITCH483The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4338213801383972} WEIGHT483A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS484the atoms involved in each of the contacts you wish to calculate=88,2678 SWITCH484The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3784719407558441} WEIGHT484A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS485the atoms involved in each of the contacts you wish to calculate=88,2680 SWITCH485The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45073941349983215} WEIGHT485A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS486the atoms involved in each of the contacts you wish to calculate=88,2681 SWITCH486The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5534012913703918} WEIGHT486A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS487the atoms involved in each of the contacts you wish to calculate=88,2684 SWITCH487The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4620140790939331} WEIGHT487A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS488the atoms involved in each of the contacts you wish to calculate=90,138 SWITCH488The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39824989438056946} WEIGHT488A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS489the atoms involved in each of the contacts you wish to calculate=90,140 SWITCH489The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4764503836631775} WEIGHT489A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS490the atoms involved in each of the contacts you wish to calculate=90,142 SWITCH490The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4577368497848511} WEIGHT490A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS491the atoms involved in each of the contacts you wish to calculate=90,145 SWITCH491The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5985524654388428} WEIGHT491A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS492the atoms involved in each of the contacts you wish to calculate=90,153 SWITCH492The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099735856056213} WEIGHT492A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS493the atoms involved in each of the contacts you wish to calculate=90,154 SWITCH493The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44798770546913147} WEIGHT493A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS494the atoms involved in each of the contacts you wish to calculate=90,183 SWITCH494The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5033586621284485} WEIGHT494A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS495the atoms involved in each of the contacts you wish to calculate=90,186 SWITCH495The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5682727694511414} WEIGHT495A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS496the atoms involved in each of the contacts you wish to calculate=91,138 SWITCH496The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.30443716049194336} WEIGHT496A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS497the atoms involved in each of the contacts you wish to calculate=91,140 SWITCH497The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36182036995887756} WEIGHT497A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS498the atoms involved in each of the contacts you wish to calculate=91,142 SWITCH498The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3444909453392029} WEIGHT498A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS499the atoms involved in each of the contacts you wish to calculate=91,145 SWITCH499The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4853699505329132} WEIGHT499A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS500the atoms involved in each of the contacts you wish to calculate=91,148 SWITCH500The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442095398902893} WEIGHT500A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS501the atoms involved in each of the contacts you wish to calculate=91,149 SWITCH501The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5354894995689392} WEIGHT501A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS502the atoms involved in each of the contacts you wish to calculate=91,153 SWITCH502The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39107546210289} WEIGHT502A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS503the atoms involved in each of the contacts you wish to calculate=91,154 SWITCH503The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33784016966819763} WEIGHT503A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS504the atoms involved in each of the contacts you wish to calculate=91,155 SWITCH504The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5186598300933838} WEIGHT504A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS505the atoms involved in each of the contacts you wish to calculate=91,177 SWITCH505The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5721022486686707} WEIGHT505A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS506the atoms involved in each of the contacts you wish to calculate=91,179 SWITCH506The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5184380412101746} WEIGHT506A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS507the atoms involved in each of the contacts you wish to calculate=91,181 SWITCH507The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5387411117553711} WEIGHT507A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS508the atoms involved in each of the contacts you wish to calculate=91,183 SWITCH508The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4312249720096588} WEIGHT508A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS509the atoms involved in each of the contacts you wish to calculate=91,186 SWITCH509The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181476473808289} WEIGHT509A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS510the atoms involved in each of the contacts you wish to calculate=91,188 SWITCH510The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5936750173568726} WEIGHT510A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS511the atoms involved in each of the contacts you wish to calculate=91,198 SWITCH511The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5631349086761475} WEIGHT511A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS512the atoms involved in each of the contacts you wish to calculate=92,183 SWITCH512The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5071044564247131} WEIGHT512A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS513the atoms involved in each of the contacts you wish to calculate=92,186 SWITCH513The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610605478286743} WEIGHT513A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS514the atoms involved in each of the contacts you wish to calculate=92,188 SWITCH514The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5823555588722229} WEIGHT514A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS515the atoms involved in each of the contacts you wish to calculate=92,198 SWITCH515The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5661879777908325} WEIGHT515A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS516the atoms involved in each of the contacts you wish to calculate=92,202 SWITCH516The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5854006409645081} WEIGHT516A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS517the atoms involved in each of the contacts you wish to calculate=94,179 SWITCH517The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5351158976554871} WEIGHT517A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS518the atoms involved in each of the contacts you wish to calculate=94,181 SWITCH518The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5163419246673584} WEIGHT518A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS519the atoms involved in each of the contacts you wish to calculate=94,183 SWITCH519The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42598116397857666} WEIGHT519A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS520the atoms involved in each of the contacts you wish to calculate=94,186 SWITCH520The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48987141251564026} WEIGHT520A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS521the atoms involved in each of the contacts you wish to calculate=94,188 SWITCH521The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4894006550312042} WEIGHT521A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS522the atoms involved in each of the contacts you wish to calculate=94,196 SWITCH522The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5125748515129089} WEIGHT522A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS523the atoms involved in each of the contacts you wish to calculate=94,198 SWITCH523The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42948102951049805} WEIGHT523A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS524the atoms involved in each of the contacts you wish to calculate=94,200 SWITCH524The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47807323932647705} WEIGHT524A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS525the atoms involved in each of the contacts you wish to calculate=94,202 SWITCH525The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4413716793060303} WEIGHT525A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS526the atoms involved in each of the contacts you wish to calculate=94,205 SWITCH526The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5430681109428406} WEIGHT526A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS527the atoms involved in each of the contacts you wish to calculate=96,183 SWITCH527The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5236687660217285} WEIGHT527A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS528the atoms involved in each of the contacts you wish to calculate=96,186 SWITCH528The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650017261505127} WEIGHT528A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS529the atoms involved in each of the contacts you wish to calculate=96,188 SWITCH529The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5230010151863098} WEIGHT529A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS530the atoms involved in each of the contacts you wish to calculate=96,196 SWITCH530The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5594658255577087} WEIGHT530A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS531the atoms involved in each of the contacts you wish to calculate=96,198 SWITCH531The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4623623788356781} WEIGHT531A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS532the atoms involved in each of the contacts you wish to calculate=96,200 SWITCH532The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4641217887401581} WEIGHT532A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS533the atoms involved in each of the contacts you wish to calculate=96,202 SWITCH533The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40873703360557556} WEIGHT533A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS534the atoms involved in each of the contacts you wish to calculate=96,205 SWITCH534The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4718325734138489} WEIGHT534A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS535the atoms involved in each of the contacts you wish to calculate=96,208 SWITCH535The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5823202729225159} WEIGHT535A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS536the atoms involved in each of the contacts you wish to calculate=96,209 SWITCH536The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822962522506714} WEIGHT536A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS537the atoms involved in each of the contacts you wish to calculate=99,183 SWITCH537The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.564624547958374} WEIGHT537A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS538the atoms involved in each of the contacts you wish to calculate=99,186 SWITCH538The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5651061534881592} WEIGHT538A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS539the atoms involved in each of the contacts you wish to calculate=99,188 SWITCH539The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5062114000320435} WEIGHT539A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS540the atoms involved in each of the contacts you wish to calculate=99,198 SWITCH540The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5398267507553101} WEIGHT540A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS541the atoms involved in each of the contacts you wish to calculate=99,200 SWITCH541The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.536137044429779} WEIGHT541A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS542the atoms involved in each of the contacts you wish to calculate=99,202 SWITCH542The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5090558528900146} WEIGHT542A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS543the atoms involved in each of the contacts you wish to calculate=99,205 SWITCH543The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5553718209266663} WEIGHT543A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS544the atoms involved in each of the contacts you wish to calculate=102,188 SWITCH544The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.536859393119812} WEIGHT544A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS545the atoms involved in each of the contacts you wish to calculate=102,198 SWITCH545The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5692564249038696} WEIGHT545A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS546the atoms involved in each of the contacts you wish to calculate=102,200 SWITCH546The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5287466049194336} WEIGHT546A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS547the atoms involved in each of the contacts you wish to calculate=102,202 SWITCH547The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.503966212272644} WEIGHT547A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS548the atoms involved in each of the contacts you wish to calculate=102,205 SWITCH548The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5120507478713989} WEIGHT548A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS549the atoms involved in each of the contacts you wish to calculate=103,188 SWITCH549The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5168153047561646} WEIGHT549A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS550the atoms involved in each of the contacts you wish to calculate=103,196 SWITCH550The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5852503776550293} WEIGHT550A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS551the atoms involved in each of the contacts you wish to calculate=103,198 SWITCH551The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5004128217697144} WEIGHT551A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS552the atoms involved in each of the contacts you wish to calculate=103,200 SWITCH552The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4348022937774658} WEIGHT552A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS553the atoms involved in each of the contacts you wish to calculate=103,202 SWITCH553The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40895718336105347} WEIGHT553A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS554the atoms involved in each of the contacts you wish to calculate=103,205 SWITCH554The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3999049663543701} WEIGHT554A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS555the atoms involved in each of the contacts you wish to calculate=103,208 SWITCH555The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5354894995689392} WEIGHT555A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS556the atoms involved in each of the contacts you wish to calculate=103,209 SWITCH556The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5923588275909424} WEIGHT556A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS557the atoms involved in each of the contacts you wish to calculate=103,211 SWITCH557The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5546971559524536} WEIGHT557A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS558the atoms involved in each of the contacts you wish to calculate=103,212 SWITCH558The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5707197785377502} WEIGHT558A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS559the atoms involved in each of the contacts you wish to calculate=105,155 SWITCH559The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5657702684402466} WEIGHT559A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS560the atoms involved in each of the contacts you wish to calculate=105,177 SWITCH560The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732547640800476} WEIGHT560A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS561the atoms involved in each of the contacts you wish to calculate=105,179 SWITCH561The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4729249179363251} WEIGHT561A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS562the atoms involved in each of the contacts you wish to calculate=105,181 SWITCH562The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4930739998817444} WEIGHT562A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS563the atoms involved in each of the contacts you wish to calculate=105,183 SWITCH563The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43830010294914246} WEIGHT563A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS564the atoms involved in each of the contacts you wish to calculate=105,186 SWITCH564The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5412476062774658} WEIGHT564A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS565the atoms involved in each of the contacts you wish to calculate=105,188 SWITCH565The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5530009865760803} WEIGHT565A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS566the atoms involved in each of the contacts you wish to calculate=105,196 SWITCH566The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4919084906578064} WEIGHT566A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS567the atoms involved in each of the contacts you wish to calculate=105,198 SWITCH567The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3943715989589691} WEIGHT567A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS568the atoms involved in each of the contacts you wish to calculate=105,200 SWITCH568The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4492760896682739} WEIGHT568A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS569the atoms involved in each of the contacts you wish to calculate=105,202 SWITCH569The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3891400396823883} WEIGHT569A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS570the atoms involved in each of the contacts you wish to calculate=105,205 SWITCH570The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5046542882919312} WEIGHT570A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS571the atoms involved in each of the contacts you wish to calculate=105,208 SWITCH571The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5803937911987305} WEIGHT571A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS572the atoms involved in each of the contacts you wish to calculate=105,209 SWITCH572The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5396155714988708} WEIGHT572A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS573the atoms involved in each of the contacts you wish to calculate=105,211 SWITCH573The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5866079926490784} WEIGHT573A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS574the atoms involved in each of the contacts you wish to calculate=105,2473 SWITCH574The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5868048667907715} WEIGHT574A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS575the atoms involved in each of the contacts you wish to calculate=106,155 SWITCH575The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46240565180778503} WEIGHT575A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS576the atoms involved in each of the contacts you wish to calculate=106,157 SWITCH576The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48263028264045715} WEIGHT576A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS577the atoms involved in each of the contacts you wish to calculate=106,177 SWITCH577The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4555721580982208} WEIGHT577A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS578the atoms involved in each of the contacts you wish to calculate=106,178 SWITCH578The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5556581616401672} WEIGHT578A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS579the atoms involved in each of the contacts you wish to calculate=106,179 SWITCH579The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35524776577949524} WEIGHT579A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS580the atoms involved in each of the contacts you wish to calculate=106,181 SWITCH580The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3925875425338745} WEIGHT580A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS581the atoms involved in each of the contacts you wish to calculate=106,183 SWITCH581The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3631308376789093} WEIGHT581A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS582the atoms involved in each of the contacts you wish to calculate=106,186 SWITCH582The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48804712295532227} WEIGHT582A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS583the atoms involved in each of the contacts you wish to calculate=106,188 SWITCH583The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5128947496414185} WEIGHT583A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS584the atoms involved in each of the contacts you wish to calculate=106,196 SWITCH584The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4024238586425781} WEIGHT584A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS585the atoms involved in each of the contacts you wish to calculate=106,197 SWITCH585The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5217604041099548} WEIGHT585A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS586the atoms involved in each of the contacts you wish to calculate=106,198 SWITCH586The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31405407190322876} WEIGHT586A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS587the atoms involved in each of the contacts you wish to calculate=106,200 SWITCH587The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39586612582206726} WEIGHT587A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS588the atoms involved in each of the contacts you wish to calculate=106,202 SWITCH588The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35996246337890625} WEIGHT588A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS589the atoms involved in each of the contacts you wish to calculate=106,205 SWITCH589The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49732378125190735} WEIGHT589A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS590the atoms involved in each of the contacts you wish to calculate=106,208 SWITCH590The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5688039660453796} WEIGHT590A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS591the atoms involved in each of the contacts you wish to calculate=106,209 SWITCH591The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5285773277282715} WEIGHT591A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS592the atoms involved in each of the contacts you wish to calculate=106,211 SWITCH592The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5201979875564575} WEIGHT592A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS593the atoms involved in each of the contacts you wish to calculate=106,213 SWITCH593The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.528100311756134} WEIGHT593A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS594the atoms involved in each of the contacts you wish to calculate=107,179 SWITCH594The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5777343511581421} WEIGHT594A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS595the atoms involved in each of the contacts you wish to calculate=107,183 SWITCH595The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5690922141075134} WEIGHT595A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS596the atoms involved in each of the contacts you wish to calculate=107,198 SWITCH596The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4984676241874695} WEIGHT596A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS597the atoms involved in each of the contacts you wish to calculate=107,200 SWITCH597The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5320056676864624} WEIGHT597A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS598the atoms involved in each of the contacts you wish to calculate=107,202 SWITCH598The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4381996989250183} WEIGHT598A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS599the atoms involved in each of the contacts you wish to calculate=107,205 SWITCH599The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5302801132202148} WEIGHT599A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS600the atoms involved in each of the contacts you wish to calculate=107,208 SWITCH600The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5787796974182129} WEIGHT600A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS601the atoms involved in each of the contacts you wish to calculate=107,209 SWITCH601The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5170106291770935} WEIGHT601A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS602the atoms involved in each of the contacts you wish to calculate=107,2469 SWITCH602The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5004027485847473} WEIGHT602A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS603the atoms involved in each of the contacts you wish to calculate=107,2471 SWITCH603The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.573998212814331} WEIGHT603A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS604the atoms involved in each of the contacts you wish to calculate=107,2473 SWITCH604The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4657520353794098} WEIGHT604A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS605the atoms involved in each of the contacts you wish to calculate=109,179 SWITCH605The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5900262594223022} WEIGHT605A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS606the atoms involved in each of the contacts you wish to calculate=109,198 SWITCH606The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5403294563293457} WEIGHT606A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS607the atoms involved in each of the contacts you wish to calculate=109,200 SWITCH607The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5721940398216248} WEIGHT607A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS608the atoms involved in each of the contacts you wish to calculate=109,202 SWITCH608The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46596673130989075} WEIGHT608A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS609the atoms involved in each of the contacts you wish to calculate=109,205 SWITCH609The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5547909140586853} WEIGHT609A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS610the atoms involved in each of the contacts you wish to calculate=109,208 SWITCH610The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5673746466636658} WEIGHT610A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS611the atoms involved in each of the contacts you wish to calculate=109,209 SWITCH611The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47988954186439514} WEIGHT611A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS612the atoms involved in each of the contacts you wish to calculate=109,2406 SWITCH612The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.596236526966095} WEIGHT612A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS613the atoms involved in each of the contacts you wish to calculate=109,2469 SWITCH613The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47802188992500305} WEIGHT613A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS614the atoms involved in each of the contacts you wish to calculate=109,2471 SWITCH614The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5320018529891968} WEIGHT614A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS615the atoms involved in each of the contacts you wish to calculate=109,2473 SWITCH615The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4249434769153595} WEIGHT615A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS616the atoms involved in each of the contacts you wish to calculate=111,202 SWITCH616The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5300915241241455} WEIGHT616A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS617the atoms involved in each of the contacts you wish to calculate=111,205 SWITCH617The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825143456459045} WEIGHT617A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS618the atoms involved in each of the contacts you wish to calculate=111,208 SWITCH618The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5675861239433289} WEIGHT618A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS619the atoms involved in each of the contacts you wish to calculate=111,209 SWITCH619The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46802347898483276} WEIGHT619A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS620the atoms involved in each of the contacts you wish to calculate=111,2406 SWITCH620The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5658073425292969} WEIGHT620A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS621the atoms involved in each of the contacts you wish to calculate=111,2443 SWITCH621The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5992286205291748} WEIGHT621A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS622the atoms involved in each of the contacts you wish to calculate=111,2464 SWITCH622The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5983719229698181} WEIGHT622A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS623the atoms involved in each of the contacts you wish to calculate=111,2467 SWITCH623The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5195015668869019} WEIGHT623A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS624the atoms involved in each of the contacts you wish to calculate=111,2469 SWITCH624The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38300514221191406} WEIGHT624A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS625the atoms involved in each of the contacts you wish to calculate=111,2471 SWITCH625The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48418793082237244} WEIGHT625A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS626the atoms involved in each of the contacts you wish to calculate=111,2473 SWITCH626The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3588801622390747} WEIGHT626A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS627the atoms involved in each of the contacts you wish to calculate=114,202 SWITCH627The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46239161491394043} WEIGHT627A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS628the atoms involved in each of the contacts you wish to calculate=114,205 SWITCH628The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4791555404663086} WEIGHT628A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS629the atoms involved in each of the contacts you wish to calculate=114,208 SWITCH629The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4540143609046936} WEIGHT629A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS630the atoms involved in each of the contacts you wish to calculate=114,209 SWITCH630The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36229410767555237} WEIGHT630A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS631the atoms involved in each of the contacts you wish to calculate=114,210 SWITCH631The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5587647557258606} WEIGHT631A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS632the atoms involved in each of the contacts you wish to calculate=114,2467 SWITCH632The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5838876962661743} WEIGHT632A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS633the atoms involved in each of the contacts you wish to calculate=114,2469 SWITCH633The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4581286907196045} WEIGHT633A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS634the atoms involved in each of the contacts you wish to calculate=114,2473 SWITCH634The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47292062640190125} WEIGHT634A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS635the atoms involved in each of the contacts you wish to calculate=115,200 SWITCH635The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5682622194290161} WEIGHT635A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS636the atoms involved in each of the contacts you wish to calculate=115,202 SWITCH636The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4189856946468353} WEIGHT636A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS637the atoms involved in each of the contacts you wish to calculate=115,205 SWITCH637The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4202796518802643} WEIGHT637A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS638the atoms involved in each of the contacts you wish to calculate=115,208 SWITCH638The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3627423346042633} WEIGHT638A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS639the atoms involved in each of the contacts you wish to calculate=115,209 SWITCH639The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2564176321029663} WEIGHT639A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS640the atoms involved in each of the contacts you wish to calculate=115,210 SWITCH640The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45987066626548767} WEIGHT640A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS641the atoms involved in each of the contacts you wish to calculate=115,2469 SWITCH641The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.569122850894928} WEIGHT641A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS642the atoms involved in each of the contacts you wish to calculate=115,2473 SWITCH642The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5773828029632568} WEIGHT642A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS643the atoms involved in each of the contacts you wish to calculate=116,202 SWITCH643The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4980621933937073} WEIGHT643A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS644the atoms involved in each of the contacts you wish to calculate=116,205 SWITCH644The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49504542350769043} WEIGHT644A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS645the atoms involved in each of the contacts you wish to calculate=116,208 SWITCH645The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48830828070640564} WEIGHT645A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS646the atoms involved in each of the contacts you wish to calculate=116,209 SWITCH646The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4205959439277649} WEIGHT646A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS647the atoms involved in each of the contacts you wish to calculate=116,210 SWITCH647The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5873175859451294} WEIGHT647A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS648the atoms involved in each of the contacts you wish to calculate=116,2467 SWITCH648The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5533831715583801} WEIGHT648A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS649the atoms involved in each of the contacts you wish to calculate=116,2469 SWITCH649The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44171249866485596} WEIGHT649A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS650the atoms involved in each of the contacts you wish to calculate=116,2473 SWITCH650The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4879979193210602} WEIGHT650A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS651the atoms involved in each of the contacts you wish to calculate=117,179 SWITCH651The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5992237329483032} WEIGHT651A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS652the atoms involved in each of the contacts you wish to calculate=117,202 SWITCH652The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5911928415298462} WEIGHT652A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS653the atoms involved in each of the contacts you wish to calculate=117,2405 SWITCH653The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5600178241729736} WEIGHT653A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS654the atoms involved in each of the contacts you wish to calculate=117,2406 SWITCH654The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48852837085723877} WEIGHT654A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS655the atoms involved in each of the contacts you wish to calculate=117,2407 SWITCH655The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5545331239700317} WEIGHT655A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS656the atoms involved in each of the contacts you wish to calculate=117,2464 SWITCH656The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.599036693572998} WEIGHT656A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS657the atoms involved in each of the contacts you wish to calculate=117,2469 SWITCH657The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48234519362449646} WEIGHT657A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS658the atoms involved in each of the contacts you wish to calculate=117,2471 SWITCH658The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4632968008518219} WEIGHT658A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS659the atoms involved in each of the contacts you wish to calculate=117,2473 SWITCH659The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3893391191959381} WEIGHT659A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS660the atoms involved in each of the contacts you wish to calculate=118,179 SWITCH660The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5725215673446655} WEIGHT660A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS661the atoms involved in each of the contacts you wish to calculate=118,2405 SWITCH661The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5134919285774231} WEIGHT661A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS662the atoms involved in each of the contacts you wish to calculate=118,2406 SWITCH662The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4585127830505371} WEIGHT662A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS663the atoms involved in each of the contacts you wish to calculate=118,2407 SWITCH663The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48357105255126953} WEIGHT663A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS664the atoms involved in each of the contacts you wish to calculate=118,2469 SWITCH664The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5753198266029358} WEIGHT664A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS665the atoms involved in each of the contacts you wish to calculate=118,2471 SWITCH665The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5270274877548218} WEIGHT665A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS666the atoms involved in each of the contacts you wish to calculate=118,2473 SWITCH666The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4712313413619995} WEIGHT666A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS667the atoms involved in each of the contacts you wish to calculate=119,2405 SWITCH667The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.542985200881958} WEIGHT667A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS668the atoms involved in each of the contacts you wish to calculate=119,2406 SWITCH668The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4753367006778717} WEIGHT668A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS669the atoms involved in each of the contacts you wish to calculate=119,2407 SWITCH669The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5533841252326965} WEIGHT669A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS670the atoms involved in each of the contacts you wish to calculate=119,2461 SWITCH670The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5980860590934753} WEIGHT670A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS671the atoms involved in each of the contacts you wish to calculate=119,2464 SWITCH671The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5031142830848694} WEIGHT671A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS672the atoms involved in each of the contacts you wish to calculate=119,2465 SWITCH672The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742420554161072} WEIGHT672A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS673the atoms involved in each of the contacts you wish to calculate=119,2467 SWITCH673The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5405709743499756} WEIGHT673A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS674the atoms involved in each of the contacts you wish to calculate=119,2469 SWITCH674The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42132166028022766} WEIGHT674A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS675the atoms involved in each of the contacts you wish to calculate=119,2471 SWITCH675The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37147942185401917} WEIGHT675A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS676the atoms involved in each of the contacts you wish to calculate=119,2473 SWITCH676The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31658485531806946} WEIGHT676A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS677the atoms involved in each of the contacts you wish to calculate=121,2402 SWITCH677The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677719712257385} WEIGHT677A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS678the atoms involved in each of the contacts you wish to calculate=121,2405 SWITCH678The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46416476368904114} WEIGHT678A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS679the atoms involved in each of the contacts you wish to calculate=121,2406 SWITCH679The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42397284507751465} WEIGHT679A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS680the atoms involved in each of the contacts you wish to calculate=121,2407 SWITCH680The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4678739011287689} WEIGHT680A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS681the atoms involved in each of the contacts you wish to calculate=121,2461 SWITCH681The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5424177050590515} WEIGHT681A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS682the atoms involved in each of the contacts you wish to calculate=121,2464 SWITCH682The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.481433242559433} WEIGHT682A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS683the atoms involved in each of the contacts you wish to calculate=121,2465 SWITCH683The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5813415050506592} WEIGHT683A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS684the atoms involved in each of the contacts you wish to calculate=121,2467 SWITCH684The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5821623206138611} WEIGHT684A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS685the atoms involved in each of the contacts you wish to calculate=121,2469 SWITCH685The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48360514640808105} WEIGHT685A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS686the atoms involved in each of the contacts you wish to calculate=121,2471 SWITCH686The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35541102290153503} WEIGHT686A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS687the atoms involved in each of the contacts you wish to calculate=121,2473 SWITCH687The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35693129897117615} WEIGHT687A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS688the atoms involved in each of the contacts you wish to calculate=123,661 SWITCH688The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.583627462387085} WEIGHT688A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS689the atoms involved in each of the contacts you wish to calculate=123,663 SWITCH689The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5668306350708008} WEIGHT689A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS690the atoms involved in each of the contacts you wish to calculate=123,2405 SWITCH690The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5454767346382141} WEIGHT690A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS691the atoms involved in each of the contacts you wish to calculate=123,2406 SWITCH691The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5120946764945984} WEIGHT691A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS692the atoms involved in each of the contacts you wish to calculate=123,2407 SWITCH692The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5656270980834961} WEIGHT692A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS693the atoms involved in each of the contacts you wish to calculate=123,2461 SWITCH693The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4811849594116211} WEIGHT693A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS694the atoms involved in each of the contacts you wish to calculate=123,2464 SWITCH694The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4378766715526581} WEIGHT694A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS695the atoms involved in each of the contacts you wish to calculate=123,2465 SWITCH695The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5374699234962463} WEIGHT695A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS696the atoms involved in each of the contacts you wish to calculate=123,2467 SWITCH696The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5571364164352417} WEIGHT696A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS697the atoms involved in each of the contacts you wish to calculate=123,2469 SWITCH697The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4847225546836853} WEIGHT697A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS698the atoms involved in each of the contacts you wish to calculate=123,2471 SWITCH698The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34039533138275146} WEIGHT698A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS699the atoms involved in each of the contacts you wish to calculate=123,2473 SWITCH699The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3708287477493286} WEIGHT699A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS700the atoms involved in each of the contacts you wish to calculate=123,2559 SWITCH700The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.56861412525177} WEIGHT700A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS701the atoms involved in each of the contacts you wish to calculate=123,2611 SWITCH701The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5767199993133545} WEIGHT701A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS702the atoms involved in each of the contacts you wish to calculate=126,661 SWITCH702The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47467565536499023} WEIGHT702A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS703the atoms involved in each of the contacts you wish to calculate=126,663 SWITCH703The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4504053592681885} WEIGHT703A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS704the atoms involved in each of the contacts you wish to calculate=126,665 SWITCH704The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681434273719788} WEIGHT704A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS705the atoms involved in each of the contacts you wish to calculate=126,666 SWITCH705The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5981128215789795} WEIGHT705A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS706the atoms involved in each of the contacts you wish to calculate=126,708 SWITCH706The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5607174038887024} WEIGHT706A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS707the atoms involved in each of the contacts you wish to calculate=126,2402 SWITCH707The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.585034191608429} WEIGHT707A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS708the atoms involved in each of the contacts you wish to calculate=126,2405 SWITCH708The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5412955284118652} WEIGHT708A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS709the atoms involved in each of the contacts you wish to calculate=126,2406 SWITCH709The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5400379300117493} WEIGHT709A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS710the atoms involved in each of the contacts you wish to calculate=126,2407 SWITCH710The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5547773838043213} WEIGHT710A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS711the atoms involved in each of the contacts you wish to calculate=126,2461 SWITCH711The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4800718128681183} WEIGHT711A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS712the atoms involved in each of the contacts you wish to calculate=126,2464 SWITCH712The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48484012484550476} WEIGHT712A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS713the atoms involved in each of the contacts you wish to calculate=126,2471 SWITCH713The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4129951298236847} WEIGHT713A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS714the atoms involved in each of the contacts you wish to calculate=126,2473 SWITCH714The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48280009627342224} WEIGHT714A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS715the atoms involved in each of the contacts you wish to calculate=126,2559 SWITCH715The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46313709020614624} WEIGHT715A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS716the atoms involved in each of the contacts you wish to calculate=126,2607 SWITCH716The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5917879343032837} WEIGHT716A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS717the atoms involved in each of the contacts you wish to calculate=126,2611 SWITCH717The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5339606404304504} WEIGHT717A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS718the atoms involved in each of the contacts you wish to calculate=128,655 SWITCH718The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5369116067886353} WEIGHT718A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS719the atoms involved in each of the contacts you wish to calculate=128,657 SWITCH719The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5385369062423706} WEIGHT719A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS720the atoms involved in each of the contacts you wish to calculate=128,660 SWITCH720The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48818644881248474} WEIGHT720A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS721the atoms involved in each of the contacts you wish to calculate=128,661 SWITCH721The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36455589532852173} WEIGHT721A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS722the atoms involved in each of the contacts you wish to calculate=128,663 SWITCH722The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3804852366447449} WEIGHT722A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS723the atoms involved in each of the contacts you wish to calculate=128,665 SWITCH723The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5121044516563416} WEIGHT723A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS724the atoms involved in each of the contacts you wish to calculate=128,666 SWITCH724The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5754189491271973} WEIGHT724A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS725the atoms involved in each of the contacts you wish to calculate=128,668 SWITCH725The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5958170890808105} WEIGHT725A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS726the atoms involved in each of the contacts you wish to calculate=128,704 SWITCH726The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5308210849761963} WEIGHT726A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS727the atoms involved in each of the contacts you wish to calculate=128,706 SWITCH727The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5271403789520264} WEIGHT727A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS728the atoms involved in each of the contacts you wish to calculate=128,708 SWITCH728The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5229990482330322} WEIGHT728A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS729the atoms involved in each of the contacts you wish to calculate=128,2471 SWITCH729The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5575060248374939} WEIGHT729A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS730the atoms involved in each of the contacts you wish to calculate=128,2559 SWITCH730The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5566506385803223} WEIGHT730A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS731the atoms involved in each of the contacts you wish to calculate=132,661 SWITCH731The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5624464154243469} WEIGHT731A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS732the atoms involved in each of the contacts you wish to calculate=132,663 SWITCH732The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5361809134483337} WEIGHT732A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS733the atoms involved in each of the contacts you wish to calculate=132,704 SWITCH733The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5597624778747559} WEIGHT733A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS734the atoms involved in each of the contacts you wish to calculate=132,706 SWITCH734The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5510008931159973} WEIGHT734A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS735the atoms involved in each of the contacts you wish to calculate=132,708 SWITCH735The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4905802309513092} WEIGHT735A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS736the atoms involved in each of the contacts you wish to calculate=132,2392 SWITCH736The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5810627937316895} WEIGHT736A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS737the atoms involved in each of the contacts you wish to calculate=132,2396 SWITCH737The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5445163249969482} WEIGHT737A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS738the atoms involved in each of the contacts you wish to calculate=132,2397 SWITCH738The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4936162233352661} WEIGHT738A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS739the atoms involved in each of the contacts you wish to calculate=132,2398 SWITCH739The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5803239941596985} WEIGHT739A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS740the atoms involved in each of the contacts you wish to calculate=132,2400 SWITCH740The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5698674917221069} WEIGHT740A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS741the atoms involved in each of the contacts you wish to calculate=132,2402 SWITCH741The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4398067593574524} WEIGHT741A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS742the atoms involved in each of the contacts you wish to calculate=132,2405 SWITCH742The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41261354088783264} WEIGHT742A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS743the atoms involved in each of the contacts you wish to calculate=132,2406 SWITCH743The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43200230598449707} WEIGHT743A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS744the atoms involved in each of the contacts you wish to calculate=132,2407 SWITCH744The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4327273964881897} WEIGHT744A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS745the atoms involved in each of the contacts you wish to calculate=132,2457 SWITCH745The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5700263381004333} WEIGHT745A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS746the atoms involved in each of the contacts you wish to calculate=132,2459 SWITCH746The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5530361533164978} WEIGHT746A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS747the atoms involved in each of the contacts you wish to calculate=132,2461 SWITCH747The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4338156282901764} WEIGHT747A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS748the atoms involved in each of the contacts you wish to calculate=132,2464 SWITCH748The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4616871178150177} WEIGHT748A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS749the atoms involved in each of the contacts you wish to calculate=132,2465 SWITCH749The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5949193239212036} WEIGHT749A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS750the atoms involved in each of the contacts you wish to calculate=132,2471 SWITCH750The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3930674195289612} WEIGHT750A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS751the atoms involved in each of the contacts you wish to calculate=132,2473 SWITCH751The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4860956370830536} WEIGHT751A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS752the atoms involved in each of the contacts you wish to calculate=132,2475 SWITCH752The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5837576985359192} WEIGHT752A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS753the atoms involved in each of the contacts you wish to calculate=132,2476 SWITCH753The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5831552147865295} WEIGHT753A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS754the atoms involved in each of the contacts you wish to calculate=132,2553 SWITCH754The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5572898983955383} WEIGHT754A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS755the atoms involved in each of the contacts you wish to calculate=132,2555 SWITCH755The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5858139395713806} WEIGHT755A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS756the atoms involved in each of the contacts you wish to calculate=132,2559 SWITCH756The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4155297577381134} WEIGHT756A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS757the atoms involved in each of the contacts you wish to calculate=136,2405 SWITCH757The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5009769797325134} WEIGHT757A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS758the atoms involved in each of the contacts you wish to calculate=136,2406 SWITCH758The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4900958836078644} WEIGHT758A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS759the atoms involved in each of the contacts you wish to calculate=136,2407 SWITCH759The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46301722526550293} WEIGHT759A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS760the atoms involved in each of the contacts you wish to calculate=136,2471 SWITCH760The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5023922324180603} WEIGHT760A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS761the atoms involved in each of the contacts you wish to calculate=136,2473 SWITCH761The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5069782733917236} WEIGHT761A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS762the atoms involved in each of the contacts you wish to calculate=137,706 SWITCH762The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5412217378616333} WEIGHT762A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS763the atoms involved in each of the contacts you wish to calculate=137,2397 SWITCH763The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4977770745754242} WEIGHT763A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS764the atoms involved in each of the contacts you wish to calculate=137,2402 SWITCH764The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5532747507095337} WEIGHT764A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS765the atoms involved in each of the contacts you wish to calculate=137,2405 SWITCH765The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45633426308631897} WEIGHT765A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS766the atoms involved in each of the contacts you wish to calculate=137,2406 SWITCH766The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4761522710323334} WEIGHT766A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS767the atoms involved in each of the contacts you wish to calculate=137,2407 SWITCH767The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39793720841407776} WEIGHT767A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS768the atoms involved in each of the contacts you wish to calculate=137,2471 SWITCH768The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5525911450386047} WEIGHT768A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS769the atoms involved in each of the contacts you wish to calculate=137,2473 SWITCH769The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.580668568611145} WEIGHT769A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS770the atoms involved in each of the contacts you wish to calculate=138,2407 SWITCH770The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5729153752326965} WEIGHT770A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS771the atoms involved in each of the contacts you wish to calculate=138,2471 SWITCH771The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5954518914222717} WEIGHT771A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS772the atoms involved in each of the contacts you wish to calculate=138,2473 SWITCH772The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5755744576454163} WEIGHT772A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS773the atoms involved in each of the contacts you wish to calculate=140,635 SWITCH773The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5966464281082153} WEIGHT773A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS774the atoms involved in each of the contacts you wish to calculate=140,638 SWITCH774The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.514513373374939} WEIGHT774A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS775the atoms involved in each of the contacts you wish to calculate=142,595 SWITCH775The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5753486156463623} WEIGHT775A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS776the atoms involved in each of the contacts you wish to calculate=142,600 SWITCH776The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5595864653587341} WEIGHT776A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS777the atoms involved in each of the contacts you wish to calculate=142,635 SWITCH777The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5042350888252258} WEIGHT777A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS778the atoms involved in each of the contacts you wish to calculate=142,638 SWITCH778The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4558749496936798} WEIGHT778A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS779the atoms involved in each of the contacts you wish to calculate=142,641 SWITCH779The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.588845431804657} WEIGHT779A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS780the atoms involved in each of the contacts you wish to calculate=142,651 SWITCH780The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5784652233123779} WEIGHT780A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS781the atoms involved in each of the contacts you wish to calculate=142,653 SWITCH781The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432862639427185} WEIGHT781A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS782the atoms involved in each of the contacts you wish to calculate=142,655 SWITCH782The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5629262924194336} WEIGHT782A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS783the atoms involved in each of the contacts you wish to calculate=142,657 SWITCH783The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5726604461669922} WEIGHT783A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS784the atoms involved in each of the contacts you wish to calculate=142,661 SWITCH784The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5716458559036255} WEIGHT784A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS785the atoms involved in each of the contacts you wish to calculate=145,589 SWITCH785The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5833532214164734} WEIGHT785A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS786the atoms involved in each of the contacts you wish to calculate=145,595 SWITCH786The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5673359036445618} WEIGHT786A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS787the atoms involved in each of the contacts you wish to calculate=145,599 SWITCH787The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5773118138313293} WEIGHT787A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS788the atoms involved in each of the contacts you wish to calculate=145,600 SWITCH788The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4823722243309021} WEIGHT788A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS789the atoms involved in each of the contacts you wish to calculate=145,631 SWITCH789The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5606371164321899} WEIGHT789A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS790the atoms involved in each of the contacts you wish to calculate=145,633 SWITCH790The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47374463081359863} WEIGHT790A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS791the atoms involved in each of the contacts you wish to calculate=145,635 SWITCH791The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3561699092388153} WEIGHT791A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS792the atoms involved in each of the contacts you wish to calculate=145,638 SWITCH792The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31291210651397705} WEIGHT792A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS793the atoms involved in each of the contacts you wish to calculate=145,641 SWITCH793The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4513324499130249} WEIGHT793A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS794the atoms involved in each of the contacts you wish to calculate=145,644 SWITCH794The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181524753570557} WEIGHT794A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS795the atoms involved in each of the contacts you wish to calculate=145,651 SWITCH795The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46311554312705994} WEIGHT795A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS796the atoms involved in each of the contacts you wish to calculate=145,652 SWITCH796The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5169845223426819} WEIGHT796A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS797the atoms involved in each of the contacts you wish to calculate=145,653 SWITCH797The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4477163851261139} WEIGHT797A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS798the atoms involved in each of the contacts you wish to calculate=145,655 SWITCH798The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5014837980270386} WEIGHT798A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS799the atoms involved in each of the contacts you wish to calculate=145,657 SWITCH799The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5366581082344055} WEIGHT799A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS800the atoms involved in each of the contacts you wish to calculate=145,661 SWITCH800The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5915479063987732} WEIGHT800A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS801the atoms involved in each of the contacts you wish to calculate=148,586 SWITCH801The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5851477980613708} WEIGHT801A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS802the atoms involved in each of the contacts you wish to calculate=148,589 SWITCH802The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5266126990318298} WEIGHT802A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS803the atoms involved in each of the contacts you wish to calculate=148,591 SWITCH803The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5845116972923279} WEIGHT803A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS804the atoms involved in each of the contacts you wish to calculate=148,593 SWITCH804The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5936741232872009} WEIGHT804A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS805the atoms involved in each of the contacts you wish to calculate=148,595 SWITCH805The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5489025115966797} WEIGHT805A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS806the atoms involved in each of the contacts you wish to calculate=148,599 SWITCH806The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.563897967338562} WEIGHT806A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS807the atoms involved in each of the contacts you wish to calculate=148,600 SWITCH807The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4982638955116272} WEIGHT807A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS808the atoms involved in each of the contacts you wish to calculate=148,631 SWITCH808The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5708502531051636} WEIGHT808A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS809the atoms involved in each of the contacts you wish to calculate=148,633 SWITCH809The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5090245604515076} WEIGHT809A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS810the atoms involved in each of the contacts you wish to calculate=148,635 SWITCH810The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3640727400779724} WEIGHT810A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS811the atoms involved in each of the contacts you wish to calculate=148,638 SWITCH811The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3496197760105133} WEIGHT811A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS812the atoms involved in each of the contacts you wish to calculate=148,641 SWITCH812The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46827876567840576} WEIGHT812A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS813the atoms involved in each of the contacts you wish to calculate=148,644 SWITCH813The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739599466323853} WEIGHT813A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS814the atoms involved in each of the contacts you wish to calculate=148,651 SWITCH814The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.548649251461029} WEIGHT814A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS815the atoms involved in each of the contacts you wish to calculate=148,653 SWITCH815The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.542518138885498} WEIGHT815A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS816the atoms involved in each of the contacts you wish to calculate=149,531 SWITCH816The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5139854550361633} WEIGHT816A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS817the atoms involved in each of the contacts you wish to calculate=149,585 SWITCH817The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5138764381408691} WEIGHT817A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS818the atoms involved in each of the contacts you wish to calculate=149,586 SWITCH818The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4839121997356415} WEIGHT818A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS819the atoms involved in each of the contacts you wish to calculate=149,587 SWITCH819The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4685584604740143} WEIGHT819A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS820the atoms involved in each of the contacts you wish to calculate=149,589 SWITCH820The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36399728059768677} WEIGHT820A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS821the atoms involved in each of the contacts you wish to calculate=149,591 SWITCH821The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40668785572052} WEIGHT821A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS822the atoms involved in each of the contacts you wish to calculate=149,593 SWITCH822The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4173128604888916} WEIGHT822A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS823the atoms involved in each of the contacts you wish to calculate=149,595 SWITCH823The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37818124890327454} WEIGHT823A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS824the atoms involved in each of the contacts you wish to calculate=149,599 SWITCH824The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4217131733894348} WEIGHT824A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS825the atoms involved in each of the contacts you wish to calculate=149,600 SWITCH825The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38097506761550903} WEIGHT825A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS826the atoms involved in each of the contacts you wish to calculate=149,601 SWITCH826The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5538934469223022} WEIGHT826A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS827the atoms involved in each of the contacts you wish to calculate=149,631 SWITCH827The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5531102418899536} WEIGHT827A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS828the atoms involved in each of the contacts you wish to calculate=149,633 SWITCH828The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.533577561378479} WEIGHT828A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS829the atoms involved in each of the contacts you wish to calculate=149,635 SWITCH829The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4111812114715576} WEIGHT829A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS830the atoms involved in each of the contacts you wish to calculate=149,638 SWITCH830The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45584312081336975} WEIGHT830A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS831the atoms involved in each of the contacts you wish to calculate=149,641 SWITCH831The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.587295413017273} WEIGHT831A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS832the atoms involved in each of the contacts you wish to calculate=149,651 SWITCH832The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5711576342582703} WEIGHT832A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS833the atoms involved in each of the contacts you wish to calculate=149,653 SWITCH833The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5299537777900696} WEIGHT833A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS834the atoms involved in each of the contacts you wish to calculate=153,638 SWITCH834The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5644378066062927} WEIGHT834A weight value for a given contact, by default is 1=0.0011976047904191617 ATOMS835the atoms involved in each of the contacts you wish to calculate=154,213 SWITCH835The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5944316387176514} WEIGHT835A weight value for a given contact, by default is 1=0.0011976047904191617 LABELa label for the action so that its output can be referenced in the input to other actions=q SUM calculate the sum of all the contacts in the input NOPBC ignore the periodic boundary conditions when calculating distances ... CONTACTMAP
CONTACTMAPCalculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details ... ATOMS1the atoms involved in each of the contacts you wish to calculate=73,589 SWITCH1The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8583630323410034} WEIGHT1A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS2the atoms involved in each of the contacts you wish to calculate=73,591 SWITCH2The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.78587406873703} WEIGHT2A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS3the atoms involved in each of the contacts you wish to calculate=73,593 SWITCH3The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8167759776115417} WEIGHT3A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS4the atoms involved in each of the contacts you wish to calculate=73,595 SWITCH4The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6383212208747864} WEIGHT4A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS5the atoms involved in each of the contacts you wish to calculate=73,655 SWITCH5The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8182469010353088} WEIGHT5A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS6the atoms involved in each of the contacts you wish to calculate=73,657 SWITCH6The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7383589744567871} WEIGHT6A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS7the atoms involved in each of the contacts you wish to calculate=73,660 SWITCH7The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6958836317062378} WEIGHT7A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS8the atoms involved in each of the contacts you wish to calculate=73,661 SWITCH8The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6310158371925354} WEIGHT8A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS9the atoms involved in each of the contacts you wish to calculate=73,663 SWITCH9The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6347385048866272} WEIGHT9A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS10the atoms involved in each of the contacts you wish to calculate=73,665 SWITCH10The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7010770440101624} WEIGHT10A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS11the atoms involved in each of the contacts you wish to calculate=73,666 SWITCH11The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7429704070091248} WEIGHT11A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS12the atoms involved in each of the contacts you wish to calculate=73,668 SWITCH12The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7565619945526123} WEIGHT12A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS13the atoms involved in each of the contacts you wish to calculate=73,670 SWITCH13The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7599328756332397} WEIGHT13A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS14the atoms involved in each of the contacts you wish to calculate=73,2603 SWITCH14The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7390270829200745} WEIGHT14A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS15the atoms involved in each of the contacts you wish to calculate=73,2605 SWITCH15The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6524737477302551} WEIGHT15A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS16the atoms involved in each of the contacts you wish to calculate=73,2607 SWITCH16The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5406893491744995} WEIGHT16A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS17the atoms involved in each of the contacts you wish to calculate=73,2611 SWITCH17The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6260607242584229} WEIGHT17A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS18the atoms involved in each of the contacts you wish to calculate=73,2650 SWITCH18The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9414849877357483} WEIGHT18A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS19the atoms involved in each of the contacts you wish to calculate=73,2652 SWITCH19The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8192837834358215} WEIGHT19A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS20the atoms involved in each of the contacts you wish to calculate=73,2655 SWITCH20The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8744701147079468} WEIGHT20A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS21the atoms involved in each of the contacts you wish to calculate=73,2658 SWITCH21The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9776241779327393} WEIGHT21A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS22the atoms involved in each of the contacts you wish to calculate=73,2659 SWITCH22The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.090904712677002} WEIGHT22A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS23the atoms involved in each of the contacts you wish to calculate=73,2660 SWITCH23The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9545978307723999} WEIGHT23A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS24the atoms involved in each of the contacts you wish to calculate=73,2667 SWITCH24The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9542347192764282} WEIGHT24A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS25the atoms involved in each of the contacts you wish to calculate=73,2669 SWITCH25The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9673064947128296} WEIGHT25A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS26the atoms involved in each of the contacts you wish to calculate=73,2672 SWITCH26The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.862765908241272} WEIGHT26A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS27the atoms involved in each of the contacts you wish to calculate=73,2675 SWITCH27The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8941106796264648} WEIGHT27A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS28the atoms involved in each of the contacts you wish to calculate=73,2678 SWITCH28The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7938815951347351} WEIGHT28A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS29the atoms involved in each of the contacts you wish to calculate=73,2680 SWITCH29The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8136012554168701} WEIGHT29A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS30the atoms involved in each of the contacts you wish to calculate=73,2681 SWITCH30The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9231305718421936} WEIGHT30A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS31the atoms involved in each of the contacts you wish to calculate=73,2684 SWITCH31The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.746406078338623} WEIGHT31A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS32the atoms involved in each of the contacts you wish to calculate=75,589 SWITCH32The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7799500226974487} WEIGHT32A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS33the atoms involved in each of the contacts you wish to calculate=75,591 SWITCH33The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6888490915298462} WEIGHT33A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS34the atoms involved in each of the contacts you wish to calculate=75,593 SWITCH34The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7219820618629456} WEIGHT34A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS35the atoms involved in each of the contacts you wish to calculate=75,595 SWITCH35The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5409870743751526} WEIGHT35A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS36the atoms involved in each of the contacts you wish to calculate=75,655 SWITCH36The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8145925402641296} WEIGHT36A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS37the atoms involved in each of the contacts you wish to calculate=75,657 SWITCH37The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7125959396362305} WEIGHT37A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS38the atoms involved in each of the contacts you wish to calculate=75,660 SWITCH38The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.676268458366394} WEIGHT38A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS39the atoms involved in each of the contacts you wish to calculate=75,661 SWITCH39The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6399641036987305} WEIGHT39A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS40the atoms involved in each of the contacts you wish to calculate=75,663 SWITCH40The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6513263583183289} WEIGHT40A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS41the atoms involved in each of the contacts you wish to calculate=75,665 SWITCH41The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6956766843795776} WEIGHT41A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS42the atoms involved in each of the contacts you wish to calculate=75,666 SWITCH42The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7442620396614075} WEIGHT42A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS43the atoms involved in each of the contacts you wish to calculate=75,668 SWITCH43The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7189861536026001} WEIGHT43A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS44the atoms involved in each of the contacts you wish to calculate=75,670 SWITCH44The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7290987372398376} WEIGHT44A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS45the atoms involved in each of the contacts you wish to calculate=75,2603 SWITCH45The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7334507703781128} WEIGHT45A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS46the atoms involved in each of the contacts you wish to calculate=75,2605 SWITCH46The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6598825454711914} WEIGHT46A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS47the atoms involved in each of the contacts you wish to calculate=75,2607 SWITCH47The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5272703170776367} WEIGHT47A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS48the atoms involved in each of the contacts you wish to calculate=75,2611 SWITCH48The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6685484647750854} WEIGHT48A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS49the atoms involved in each of the contacts you wish to calculate=75,2650 SWITCH49The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8497217297554016} WEIGHT49A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS50the atoms involved in each of the contacts you wish to calculate=75,2652 SWITCH50The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7347999215126038} WEIGHT50A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS51the atoms involved in each of the contacts you wish to calculate=75,2655 SWITCH51The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8019307851791382} WEIGHT51A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS52the atoms involved in each of the contacts you wish to calculate=75,2658 SWITCH52The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9192942976951599} WEIGHT52A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS53the atoms involved in each of the contacts you wish to calculate=75,2659 SWITCH53The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0309336185455322} WEIGHT53A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS54the atoms involved in each of the contacts you wish to calculate=75,2660 SWITCH54The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9103811979293823} WEIGHT54A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS55the atoms involved in each of the contacts you wish to calculate=75,2667 SWITCH55The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8321952819824219} WEIGHT55A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS56the atoms involved in each of the contacts you wish to calculate=75,2669 SWITCH56The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8536984324455261} WEIGHT56A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS57the atoms involved in each of the contacts you wish to calculate=75,2672 SWITCH57The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7501974105834961} WEIGHT57A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS58the atoms involved in each of the contacts you wish to calculate=75,2675 SWITCH58The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7690104246139526} WEIGHT58A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS59the atoms involved in each of the contacts you wish to calculate=75,2678 SWITCH59The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6680127382278442} WEIGHT59A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS60the atoms involved in each of the contacts you wish to calculate=75,2680 SWITCH60The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6796219348907471} WEIGHT60A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS61the atoms involved in each of the contacts you wish to calculate=75,2681 SWITCH61The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7823382019996643} WEIGHT61A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS62the atoms involved in each of the contacts you wish to calculate=75,2684 SWITCH62The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6172786951065063} WEIGHT62A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS63the atoms involved in each of the contacts you wish to calculate=78,589 SWITCH63The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7669348120689392} WEIGHT63A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS64the atoms involved in each of the contacts you wish to calculate=78,591 SWITCH64The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6807085275650024} WEIGHT64A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS65the atoms involved in each of the contacts you wish to calculate=78,593 SWITCH65The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7402493357658386} WEIGHT65A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS66the atoms involved in each of the contacts you wish to calculate=78,595 SWITCH66The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321522355079651} WEIGHT66A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS67the atoms involved in each of the contacts you wish to calculate=78,655 SWITCH67The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7467784285545349} WEIGHT67A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS68the atoms involved in each of the contacts you wish to calculate=78,657 SWITCH68The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6290214657783508} WEIGHT68A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS69the atoms involved in each of the contacts you wish to calculate=78,660 SWITCH69The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5743744373321533} WEIGHT69A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS70the atoms involved in each of the contacts you wish to calculate=78,661 SWITCH70The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5494751930236816} WEIGHT70A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS71the atoms involved in each of the contacts you wish to calculate=78,663 SWITCH71The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5500572919845581} WEIGHT71A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS72the atoms involved in each of the contacts you wish to calculate=78,665 SWITCH72The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5729930400848389} WEIGHT72A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS73the atoms involved in each of the contacts you wish to calculate=78,666 SWITCH73The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6199556589126587} WEIGHT73A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS74the atoms involved in each of the contacts you wish to calculate=78,668 SWITCH74The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5960973501205444} WEIGHT74A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS75the atoms involved in each of the contacts you wish to calculate=78,670 SWITCH75The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5964377522468567} WEIGHT75A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS76the atoms involved in each of the contacts you wish to calculate=78,2603 SWITCH76The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6297467947006226} WEIGHT76A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS77the atoms involved in each of the contacts you wish to calculate=78,2605 SWITCH77The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5534022450447083} WEIGHT77A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS78the atoms involved in each of the contacts you wish to calculate=78,2607 SWITCH78The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4091589152812958} WEIGHT78A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS79the atoms involved in each of the contacts you wish to calculate=78,2611 SWITCH79The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5891977548599243} WEIGHT79A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS80the atoms involved in each of the contacts you wish to calculate=78,2650 SWITCH80The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7597249746322632} WEIGHT80A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS81the atoms involved in each of the contacts you wish to calculate=78,2652 SWITCH81The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6619017720222473} WEIGHT81A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS82the atoms involved in each of the contacts you wish to calculate=78,2655 SWITCH82The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7524254322052002} WEIGHT82A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS83the atoms involved in each of the contacts you wish to calculate=78,2658 SWITCH83The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8645558953285217} WEIGHT83A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS84the atoms involved in each of the contacts you wish to calculate=78,2659 SWITCH84The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9808674454689026} WEIGHT84A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS85the atoms involved in each of the contacts you wish to calculate=78,2660 SWITCH85The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8468417525291443} WEIGHT85A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS86the atoms involved in each of the contacts you wish to calculate=78,2667 SWITCH86The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7113831639289856} WEIGHT86A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS87the atoms involved in each of the contacts you wish to calculate=78,2669 SWITCH87The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.717910885810852} WEIGHT87A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS88the atoms involved in each of the contacts you wish to calculate=78,2672 SWITCH88The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6095744371414185} WEIGHT88A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS89the atoms involved in each of the contacts you wish to calculate=78,2675 SWITCH89The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6384685039520264} WEIGHT89A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS90the atoms involved in each of the contacts you wish to calculate=78,2678 SWITCH90The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441010594367981} WEIGHT90A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS91the atoms involved in each of the contacts you wish to calculate=78,2680 SWITCH91The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5764555335044861} WEIGHT91A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS92the atoms involved in each of the contacts you wish to calculate=78,2681 SWITCH92The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6877208948135376} WEIGHT92A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS93the atoms involved in each of the contacts you wish to calculate=78,2684 SWITCH93The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5304809212684631} WEIGHT93A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS94the atoms involved in each of the contacts you wish to calculate=79,589 SWITCH94The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7421624660491943} WEIGHT94A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS95the atoms involved in each of the contacts you wish to calculate=79,591 SWITCH95The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6806733012199402} WEIGHT95A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS96the atoms involved in each of the contacts you wish to calculate=79,593 SWITCH96The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7596585154533386} WEIGHT96A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS97the atoms involved in each of the contacts you wish to calculate=79,595 SWITCH97The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5337883234024048} WEIGHT97A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS98the atoms involved in each of the contacts you wish to calculate=79,655 SWITCH98The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6239150762557983} WEIGHT98A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS99the atoms involved in each of the contacts you wish to calculate=79,657 SWITCH99The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099999904632568} WEIGHT99A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS100the atoms involved in each of the contacts you wish to calculate=79,660 SWITCH100The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44384005665779114} WEIGHT100A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS101the atoms involved in each of the contacts you wish to calculate=79,661 SWITCH101The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.411265105009079} WEIGHT101A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS102the atoms involved in each of the contacts you wish to calculate=79,663 SWITCH102The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4145781397819519} WEIGHT102A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS103the atoms involved in each of the contacts you wish to calculate=79,665 SWITCH103The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44745615124702454} WEIGHT103A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS104the atoms involved in each of the contacts you wish to calculate=79,666 SWITCH104The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5085675716400146} WEIGHT104A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS105the atoms involved in each of the contacts you wish to calculate=79,668 SWITCH105The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4742699861526489} WEIGHT105A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS106the atoms involved in each of the contacts you wish to calculate=79,670 SWITCH106The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4770597517490387} WEIGHT106A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS107the atoms involved in each of the contacts you wish to calculate=79,2603 SWITCH107The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6067990064620972} WEIGHT107A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS108the atoms involved in each of the contacts you wish to calculate=79,2605 SWITCH108The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5030527114868164} WEIGHT108A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS109the atoms involved in each of the contacts you wish to calculate=79,2607 SWITCH109The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36100277304649353} WEIGHT109A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS110the atoms involved in each of the contacts you wish to calculate=79,2611 SWITCH110The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.537484884262085} WEIGHT110A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS111the atoms involved in each of the contacts you wish to calculate=79,2650 SWITCH111The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8225119709968567} WEIGHT111A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS112the atoms involved in each of the contacts you wish to calculate=79,2652 SWITCH112The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7388328909873962} WEIGHT112A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS113the atoms involved in each of the contacts you wish to calculate=79,2655 SWITCH113The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8406283855438232} WEIGHT113A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS114the atoms involved in each of the contacts you wish to calculate=79,2658 SWITCH114The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.940294086933136} WEIGHT114A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS115the atoms involved in each of the contacts you wish to calculate=79,2659 SWITCH115The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0604174137115479} WEIGHT115A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS116the atoms involved in each of the contacts you wish to calculate=79,2660 SWITCH116The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9066316485404968} WEIGHT116A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS117the atoms involved in each of the contacts you wish to calculate=79,2667 SWITCH117The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7452744245529175} WEIGHT117A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS118the atoms involved in each of the contacts you wish to calculate=79,2669 SWITCH118The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7229412198066711} WEIGHT118A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS119the atoms involved in each of the contacts you wish to calculate=79,2672 SWITCH119The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6003840565681458} WEIGHT119A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS120the atoms involved in each of the contacts you wish to calculate=79,2675 SWITCH120The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6337081789970398} WEIGHT120A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS121the atoms involved in each of the contacts you wish to calculate=79,2678 SWITCH121The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5346755981445312} WEIGHT121A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS122the atoms involved in each of the contacts you wish to calculate=79,2680 SWITCH122The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5795075297355652} WEIGHT122A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS123the atoms involved in each of the contacts you wish to calculate=79,2681 SWITCH123The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7037044763565063} WEIGHT123A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS124the atoms involved in each of the contacts you wish to calculate=79,2684 SWITCH124The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5288572311401367} WEIGHT124A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS125the atoms involved in each of the contacts you wish to calculate=81,589 SWITCH125The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7684503793716431} WEIGHT125A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS126the atoms involved in each of the contacts you wish to calculate=81,591 SWITCH126The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7151063084602356} WEIGHT126A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS127the atoms involved in each of the contacts you wish to calculate=81,593 SWITCH127The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.812201976776123} WEIGHT127A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS128the atoms involved in each of the contacts you wish to calculate=81,595 SWITCH128The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5786786675453186} WEIGHT128A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS129the atoms involved in each of the contacts you wish to calculate=81,655 SWITCH129The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5928802490234375} WEIGHT129A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS130the atoms involved in each of the contacts you wish to calculate=81,657 SWITCH130The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4654642641544342} WEIGHT130A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS131the atoms involved in each of the contacts you wish to calculate=81,660 SWITCH131The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37397992610931396} WEIGHT131A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS132the atoms involved in each of the contacts you wish to calculate=81,661 SWITCH132The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36110106110572815} WEIGHT132A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS133the atoms involved in each of the contacts you wish to calculate=81,663 SWITCH133The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34724920988082886} WEIGHT133A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS134the atoms involved in each of the contacts you wish to calculate=81,665 SWITCH134The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34329870343208313} WEIGHT134A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS135the atoms involved in each of the contacts you wish to calculate=81,666 SWITCH135The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4047394096851349} WEIGHT135A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS136the atoms involved in each of the contacts you wish to calculate=81,668 SWITCH136The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36953622102737427} WEIGHT136A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS137the atoms involved in each of the contacts you wish to calculate=81,670 SWITCH137The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35563042759895325} WEIGHT137A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS138the atoms involved in each of the contacts you wish to calculate=81,2603 SWITCH138The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5475637316703796} WEIGHT138A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS139the atoms involved in each of the contacts you wish to calculate=81,2605 SWITCH139The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4423268139362335} WEIGHT139A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS140the atoms involved in each of the contacts you wish to calculate=81,2607 SWITCH140The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2993426024913788} WEIGHT140A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS141the atoms involved in each of the contacts you wish to calculate=81,2611 SWITCH141The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5084987878799438} WEIGHT141A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS142the atoms involved in each of the contacts you wish to calculate=81,2650 SWITCH142The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7774657607078552} WEIGHT142A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS143the atoms involved in each of the contacts you wish to calculate=81,2652 SWITCH143The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.716397225856781} WEIGHT143A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS144the atoms involved in each of the contacts you wish to calculate=81,2655 SWITCH144The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8348515033721924} WEIGHT144A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS145the atoms involved in each of the contacts you wish to calculate=81,2658 SWITCH145The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9251194596290588} WEIGHT145A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS146the atoms involved in each of the contacts you wish to calculate=81,2659 SWITCH146The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0456892251968384} WEIGHT146A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS147the atoms involved in each of the contacts you wish to calculate=81,2660 SWITCH147The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8837454319000244} WEIGHT147A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS148the atoms involved in each of the contacts you wish to calculate=81,2667 SWITCH148The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.66670161485672} WEIGHT148A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS149the atoms involved in each of the contacts you wish to calculate=81,2669 SWITCH149The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6221165657043457} WEIGHT149A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS150the atoms involved in each of the contacts you wish to calculate=81,2672 SWITCH150The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49500909447669983} WEIGHT150A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS151the atoms involved in each of the contacts you wish to calculate=81,2675 SWITCH151The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5409741401672363} WEIGHT151A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS152the atoms involved in each of the contacts you wish to calculate=81,2678 SWITCH152The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4555644690990448} WEIGHT152A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS153the atoms involved in each of the contacts you wish to calculate=81,2680 SWITCH153The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5254369378089905} WEIGHT153A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS154the atoms involved in each of the contacts you wish to calculate=81,2681 SWITCH154The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6531163454055786} WEIGHT154A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS155the atoms involved in each of the contacts you wish to calculate=81,2684 SWITCH155The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49728158116340637} WEIGHT155A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS156the atoms involved in each of the contacts you wish to calculate=83,589 SWITCH156The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8155428171157837} WEIGHT156A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS157the atoms involved in each of the contacts you wish to calculate=83,591 SWITCH157The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7462553381919861} WEIGHT157A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS158the atoms involved in each of the contacts you wish to calculate=83,593 SWITCH158The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.843043327331543} WEIGHT158A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS159the atoms involved in each of the contacts you wish to calculate=83,595 SWITCH159The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6172819137573242} WEIGHT159A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS160the atoms involved in each of the contacts you wish to calculate=83,655 SWITCH160The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6937124729156494} WEIGHT160A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS161the atoms involved in each of the contacts you wish to calculate=83,657 SWITCH161The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5544375777244568} WEIGHT161A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS162the atoms involved in each of the contacts you wish to calculate=83,660 SWITCH162The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46308204531669617} WEIGHT162A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS163the atoms involved in each of the contacts you wish to calculate=83,661 SWITCH163The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47330963611602783} WEIGHT163A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS164the atoms involved in each of the contacts you wish to calculate=83,663 SWITCH164The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4469250440597534} WEIGHT164A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS165the atoms involved in each of the contacts you wish to calculate=83,665 SWITCH165The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40341541171073914} WEIGHT165A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS166the atoms involved in each of the contacts you wish to calculate=83,666 SWITCH166The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4404633641242981} WEIGHT166A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS167the atoms involved in each of the contacts you wish to calculate=83,668 SWITCH167The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42044857144355774} WEIGHT167A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS168the atoms involved in each of the contacts you wish to calculate=83,670 SWITCH168The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3897114396095276} WEIGHT168A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS169the atoms involved in each of the contacts you wish to calculate=83,2603 SWITCH169The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5093761086463928} WEIGHT169A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS170the atoms involved in each of the contacts you wish to calculate=83,2605 SWITCH170The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4374139904975891} WEIGHT170A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS171the atoms involved in each of the contacts you wish to calculate=83,2607 SWITCH171The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.29243460297584534} WEIGHT171A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS172the atoms involved in each of the contacts you wish to calculate=83,2611 SWITCH172The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5360270738601685} WEIGHT172A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS173the atoms involved in each of the contacts you wish to calculate=83,2650 SWITCH173The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6559306979179382} WEIGHT173A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS174the atoms involved in each of the contacts you wish to calculate=83,2652 SWITCH174The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6089277267456055} WEIGHT174A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS175the atoms involved in each of the contacts you wish to calculate=83,2655 SWITCH175The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7383474707603455} WEIGHT175A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS176the atoms involved in each of the contacts you wish to calculate=83,2658 SWITCH176The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8302818536758423} WEIGHT176A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS177the atoms involved in each of the contacts you wish to calculate=83,2659 SWITCH177The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9478301405906677} WEIGHT177A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS178the atoms involved in each of the contacts you wish to calculate=83,2660 SWITCH178The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7962939739227295} WEIGHT178A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS179the atoms involved in each of the contacts you wish to calculate=83,2667 SWITCH179The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5291739106178284} WEIGHT179A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS180the atoms involved in each of the contacts you wish to calculate=83,2669 SWITCH180The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4898703992366791} WEIGHT180A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS181the atoms involved in each of the contacts you wish to calculate=83,2672 SWITCH181The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37011080980300903} WEIGHT181A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS182the atoms involved in each of the contacts you wish to calculate=83,2675 SWITCH182The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4307609498500824} WEIGHT182A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS183the atoms involved in each of the contacts you wish to calculate=83,2678 SWITCH183The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36832186579704285} WEIGHT183A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS184the atoms involved in each of the contacts you wish to calculate=83,2680 SWITCH184The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45705360174179077} WEIGHT184A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS185the atoms involved in each of the contacts you wish to calculate=83,2681 SWITCH185The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5753790140151978} WEIGHT185A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS186the atoms involved in each of the contacts you wish to calculate=83,2684 SWITCH186The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4617304503917694} WEIGHT186A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS187the atoms involved in each of the contacts you wish to calculate=84,589 SWITCH187The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8727961182594299} WEIGHT187A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS188the atoms involved in each of the contacts you wish to calculate=84,591 SWITCH188The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8135785460472107} WEIGHT188A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS189the atoms involved in each of the contacts you wish to calculate=84,593 SWITCH189The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9220981597900391} WEIGHT189A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS190the atoms involved in each of the contacts you wish to calculate=84,595 SWITCH190The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6985183954238892} WEIGHT190A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS191the atoms involved in each of the contacts you wish to calculate=84,655 SWITCH191The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7074079513549805} WEIGHT191A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS192the atoms involved in each of the contacts you wish to calculate=84,657 SWITCH192The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5664891600608826} WEIGHT192A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS193the atoms involved in each of the contacts you wish to calculate=84,660 SWITCH193The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4628865718841553} WEIGHT193A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS194the atoms involved in each of the contacts you wish to calculate=84,661 SWITCH194The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4921676516532898} WEIGHT194A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS195the atoms involved in each of the contacts you wish to calculate=84,663 SWITCH195The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4532119035720825} WEIGHT195A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS196the atoms involved in each of the contacts you wish to calculate=84,665 SWITCH196The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3705846667289734} WEIGHT196A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS197the atoms involved in each of the contacts you wish to calculate=84,666 SWITCH197The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39513665437698364} WEIGHT197A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS198the atoms involved in each of the contacts you wish to calculate=84,668 SWITCH198The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3812532126903534} WEIGHT198A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS199the atoms involved in each of the contacts you wish to calculate=84,670 SWITCH199The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.328198105096817} WEIGHT199A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS200the atoms involved in each of the contacts you wish to calculate=84,2603 SWITCH200The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4980331361293793} WEIGHT200A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS201the atoms involved in each of the contacts you wish to calculate=84,2605 SWITCH201The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4368913173675537} WEIGHT201A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS202the atoms involved in each of the contacts you wish to calculate=84,2607 SWITCH202The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31898748874664307} WEIGHT202A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS203the atoms involved in each of the contacts you wish to calculate=84,2611 SWITCH203The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5603195428848267} WEIGHT203A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS204the atoms involved in each of the contacts you wish to calculate=84,2650 SWITCH204The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.644301176071167} WEIGHT204A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS205the atoms involved in each of the contacts you wish to calculate=84,2652 SWITCH205The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6285666227340698} WEIGHT205A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS206the atoms involved in each of the contacts you wish to calculate=84,2655 SWITCH206The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7696947455406189} WEIGHT206A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS207the atoms involved in each of the contacts you wish to calculate=84,2658 SWITCH207The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8473564982414246} WEIGHT207A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS208the atoms involved in each of the contacts you wish to calculate=84,2659 SWITCH208The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9614130258560181} WEIGHT208A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS209the atoms involved in each of the contacts you wish to calculate=84,2660 SWITCH209The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8062635660171509} WEIGHT209A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS210the atoms involved in each of the contacts you wish to calculate=84,2667 SWITCH210The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47543033957481384} WEIGHT210A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS211the atoms involved in each of the contacts you wish to calculate=84,2669 SWITCH211The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.401634156703949} WEIGHT211A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS212the atoms involved in each of the contacts you wish to calculate=84,2672 SWITCH212The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.28019100427627563} WEIGHT212A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS213the atoms involved in each of the contacts you wish to calculate=84,2675 SWITCH213The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3654777705669403} WEIGHT213A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS214the atoms involved in each of the contacts you wish to calculate=84,2678 SWITCH214The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3380443751811981} WEIGHT214A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS215the atoms involved in each of the contacts you wish to calculate=84,2680 SWITCH215The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45398786664009094} WEIGHT215A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS216the atoms involved in each of the contacts you wish to calculate=84,2681 SWITCH216The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5651317834854126} WEIGHT216A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS217the atoms involved in each of the contacts you wish to calculate=84,2684 SWITCH217The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48759204149246216} WEIGHT217A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS218the atoms involved in each of the contacts you wish to calculate=86,589 SWITCH218The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8140037059783936} WEIGHT218A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS219the atoms involved in each of the contacts you wish to calculate=86,591 SWITCH219The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7135131359100342} WEIGHT219A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS220the atoms involved in each of the contacts you wish to calculate=86,593 SWITCH220The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7746263742446899} WEIGHT220A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS221the atoms involved in each of the contacts you wish to calculate=86,595 SWITCH221The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5740914344787598} WEIGHT221A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS222the atoms involved in each of the contacts you wish to calculate=86,655 SWITCH222The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8275657296180725} WEIGHT222A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS223the atoms involved in each of the contacts you wish to calculate=86,657 SWITCH223The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6957046985626221} WEIGHT223A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS224the atoms involved in each of the contacts you wish to calculate=86,660 SWITCH224The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6339061856269836} WEIGHT224A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS225the atoms involved in each of the contacts you wish to calculate=86,661 SWITCH225The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6270454525947571} WEIGHT225A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS226the atoms involved in each of the contacts you wish to calculate=86,663 SWITCH226The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6157353520393372} WEIGHT226A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS227the atoms involved in each of the contacts you wish to calculate=86,665 SWITCH227The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6083617210388184} WEIGHT227A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS228the atoms involved in each of the contacts you wish to calculate=86,666 SWITCH228The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6412550210952759} WEIGHT228A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS229the atoms involved in each of the contacts you wish to calculate=86,668 SWITCH229The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.626403272151947} WEIGHT229A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS230the atoms involved in each of the contacts you wish to calculate=86,670 SWITCH230The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6146047711372375} WEIGHT230A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS231the atoms involved in each of the contacts you wish to calculate=86,2603 SWITCH231The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5949587821960449} WEIGHT231A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS232the atoms involved in each of the contacts you wish to calculate=86,2605 SWITCH232The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5474623441696167} WEIGHT232A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS233the atoms involved in each of the contacts you wish to calculate=86,2607 SWITCH233The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40191787481307983} WEIGHT233A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS234the atoms involved in each of the contacts you wish to calculate=86,2611 SWITCH234The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6116346716880798} WEIGHT234A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS235the atoms involved in each of the contacts you wish to calculate=86,2650 SWITCH235The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6337483525276184} WEIGHT235A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS236the atoms involved in each of the contacts you wish to calculate=86,2652 SWITCH236The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432062149047852} WEIGHT236A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS237the atoms involved in each of the contacts you wish to calculate=86,2655 SWITCH237The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6436777114868164} WEIGHT237A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS238the atoms involved in each of the contacts you wish to calculate=86,2658 SWITCH238The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7619710564613342} WEIGHT238A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS239the atoms involved in each of the contacts you wish to calculate=86,2659 SWITCH239The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8756517171859741} WEIGHT239A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS240the atoms involved in each of the contacts you wish to calculate=86,2660 SWITCH240The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7545726895332336} WEIGHT240A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS241the atoms involved in each of the contacts you wish to calculate=86,2667 SWITCH241The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825092196464539} WEIGHT241A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS242the atoms involved in each of the contacts you wish to calculate=86,2669 SWITCH242The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.60443115234375} WEIGHT242A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS243the atoms involved in each of the contacts you wish to calculate=86,2672 SWITCH243The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5106368660926819} WEIGHT243A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS244the atoms involved in each of the contacts you wish to calculate=86,2675 SWITCH244The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5458452105522156} WEIGHT244A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS245the atoms involved in each of the contacts you wish to calculate=86,2678 SWITCH245The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47124621272087097} WEIGHT245A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS246the atoms involved in each of the contacts you wish to calculate=86,2680 SWITCH246The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5132855176925659} WEIGHT246A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS247the atoms involved in each of the contacts you wish to calculate=86,2681 SWITCH247The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6130326390266418} WEIGHT247A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS248the atoms involved in each of the contacts you wish to calculate=86,2684 SWITCH248The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49608364701271057} WEIGHT248A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS249the atoms involved in each of the contacts you wish to calculate=88,589 SWITCH249The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8385522961616516} WEIGHT249A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS250the atoms involved in each of the contacts you wish to calculate=88,591 SWITCH250The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7467001080513} WEIGHT250A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS251the atoms involved in each of the contacts you wish to calculate=88,593 SWITCH251The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.826381266117096} WEIGHT251A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS252the atoms involved in each of the contacts you wish to calculate=88,595 SWITCH252The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6163918972015381} WEIGHT252A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS253the atoms involved in each of the contacts you wish to calculate=88,655 SWITCH253The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8057698011398315} WEIGHT253A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS254the atoms involved in each of the contacts you wish to calculate=88,657 SWITCH254The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6649819612503052} WEIGHT254A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS255the atoms involved in each of the contacts you wish to calculate=88,660 SWITCH255The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5883969664573669} WEIGHT255A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS256the atoms involved in each of the contacts you wish to calculate=88,661 SWITCH256The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5967662930488586} WEIGHT256A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS257the atoms involved in each of the contacts you wish to calculate=88,663 SWITCH257The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739425420761108} WEIGHT257A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS258the atoms involved in each of the contacts you wish to calculate=88,665 SWITCH258The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5375928282737732} WEIGHT258A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS259the atoms involved in each of the contacts you wish to calculate=88,666 SWITCH259The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5634945034980774} WEIGHT259A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS260the atoms involved in each of the contacts you wish to calculate=88,668 SWITCH260The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5524536371231079} WEIGHT260A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS261the atoms involved in each of the contacts you wish to calculate=88,670 SWITCH261The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269772410392761} WEIGHT261A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS262the atoms involved in each of the contacts you wish to calculate=88,2603 SWITCH262The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5344286561012268} WEIGHT262A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS263the atoms involved in each of the contacts you wish to calculate=88,2605 SWITCH263The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4927119016647339} WEIGHT263A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS264the atoms involved in each of the contacts you wish to calculate=88,2607 SWITCH264The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3480890691280365} WEIGHT264A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS265the atoms involved in each of the contacts you wish to calculate=88,2611 SWITCH265The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5869965553283691} WEIGHT265A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS266the atoms involved in each of the contacts you wish to calculate=88,2650 SWITCH266The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5724080801010132} WEIGHT266A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS267the atoms involved in each of the contacts you wish to calculate=88,2652 SWITCH267The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5106260776519775} WEIGHT267A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS268the atoms involved in each of the contacts you wish to calculate=88,2655 SWITCH268The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.634587287902832} WEIGHT268A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS269the atoms involved in each of the contacts you wish to calculate=88,2658 SWITCH269The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7418018579483032} WEIGHT269A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS270the atoms involved in each of the contacts you wish to calculate=88,2659 SWITCH270The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8563503623008728} WEIGHT270A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS271the atoms involved in each of the contacts you wish to calculate=88,2660 SWITCH271The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7257727384567261} WEIGHT271A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS272the atoms involved in each of the contacts you wish to calculate=88,2667 SWITCH272The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47621527314186096} WEIGHT272A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS273the atoms involved in each of the contacts you wish to calculate=88,2669 SWITCH273The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4780386984348297} WEIGHT273A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS274the atoms involved in each of the contacts you wish to calculate=88,2672 SWITCH274The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3802052140235901} WEIGHT274A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS275the atoms involved in each of the contacts you wish to calculate=88,2675 SWITCH275The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4338213801383972} WEIGHT275A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS276the atoms involved in each of the contacts you wish to calculate=88,2678 SWITCH276The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3784719407558441} WEIGHT276A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS277the atoms involved in each of the contacts you wish to calculate=88,2680 SWITCH277The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45073941349983215} WEIGHT277A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS278the atoms involved in each of the contacts you wish to calculate=88,2681 SWITCH278The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5534012913703918} WEIGHT278A weight value for a given contact, by default is 1=0.0035842293906810036 ATOMS279the atoms involved in each of the contacts you wish to calculate=88,2684 SWITCH279The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4620140790939331} WEIGHT279A weight value for a given contact, by default is 1=0.0035842293906810036 LABELa label for the action so that its output can be referenced in the input to other actions=qtyr SUM calculate the sum of all the contacts in the input NOPBC ignore the periodic boundary conditions when calculating distances ... CONTACTMAP
ALPHABETAMeasures a distance including pbc between the instantaneous values of a set of torsional angles and set of reference values. This action is a shortcut. More details ... ATOMS1the atoms involved for each of the torsions you wish to calculate=16,18,20,23 REFERENCE1the reference values for each of the torsional angles=-1.0648072957992554 ATOMS2the atoms involved for each of the torsions you wish to calculate=18,20,23,25 REFERENCE2the reference values for each of the torsional angles=-0.5233258008956909 ATOMS3the atoms involved for each of the torsions you wish to calculate=23,25,27,35 REFERENCE3the reference values for each of the torsional angles=-0.9334732890129089 ATOMS4the atoms involved for each of the torsions you wish to calculate=25,27,35,37 REFERENCE4the reference values for each of the torsional angles=-0.7526759505271912 ATOMS5the atoms involved for each of the torsions you wish to calculate=35,37,39,50 REFERENCE5the reference values for each of the torsional angles=-1.0944302082061768 ATOMS6the atoms involved for each of the torsions you wish to calculate=37,39,50,52 REFERENCE6the reference values for each of the torsional angles=-0.39649826288223267 ATOMS7the atoms involved for each of the torsions you wish to calculate=50,52,54,69 REFERENCE7the reference values for each of the torsional angles=-1.1912623643875122 ATOMS8the atoms involved for each of the torsions you wish to calculate=52,54,69,71 REFERENCE8the reference values for each of the torsional angles=-1.1033216714859009 ATOMS9the atoms involved for each of the torsions you wish to calculate=69,71,73,90 REFERENCE9the reference values for each of the torsional angles=-0.8037984371185303 ATOMS10the atoms involved for each of the torsions you wish to calculate=71,73,90,92 REFERENCE10the reference values for each of the torsional angles=-0.6409981846809387 ATOMS11the atoms involved for each of the torsions you wish to calculate=90,92,94,105 REFERENCE11the reference values for each of the torsional angles=-0.9619047045707703 ATOMS12the atoms involved for each of the torsions you wish to calculate=92,94,105,107 REFERENCE12the reference values for each of the torsional angles=-1.0553144216537476 ATOMS13the atoms involved for each of the torsions you wish to calculate=105,107,109,117 REFERENCE13the reference values for each of the torsional angles=-1.4251856803894043 ATOMS14the atoms involved for each of the torsions you wish to calculate=107,109,117,119 REFERENCE14the reference values for each of the torsional angles=-0.772596001625061 ATOMS15the atoms involved for each of the torsions you wish to calculate=117,119,121,136 REFERENCE15the reference values for each of the torsional angles=-0.8170656561851501 ATOMS16the atoms involved for each of the torsions you wish to calculate=119,121,136,138 REFERENCE16the reference values for each of the torsional angles=-0.47180280089378357 LABELa label for the action so that its output can be referenced in the input to other actions=ab ... ALPHABETA
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=q,ab,qtyr FILEthe name of the file on which to output these quantities=CV_nmr_c36m