PLUMED-NEST

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

Click on the labels of the actions for more information on what each action computes

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
The MOLINFO action with label  calculates somethingprotThe GROUP action with label prot calculates the following quantities:
 Quantity   
 Type   
 Description  
prot
atoms
indices of atoms specified in GROUP: 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=qThe CONTACTMAP action with label q calculates the following quantities:
 Quantity   
 Type   
 Description  
q
scalar
the sum of all the switching function on all the distances
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=qtyrThe CONTACTMAP action with label qtyr calculates the following quantities:
 Quantity   
 Type   
 Description  
qtyr
scalar
the sum of all the switching function on all the distances
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=abThe ALPHABETA action with label ab calculates the following quantities:
 Quantity   
 Type   
 Description  
ab
scalar
the alpha beta CV
... ALPHABETA
# PLUMED interprets the command:
# ALPHABETA ...
# ATOMS1=16,18,20,23 REFERENCE1=-1.0648072957992554
# ATOMS2=18,20,23,25 REFERENCE2=-0.5233258008956909
# ATOMS3=23,25,27,35 REFERENCE3=-0.9334732890129089
# ATOMS4=25,27,35,37 REFERENCE4=-0.7526759505271912
# ATOMS5=35,37,39,50 REFERENCE5=-1.0944302082061768
# ATOMS6=37,39,50,52 REFERENCE6=-0.39649826288223267
# ATOMS7=50,52,54,69 REFERENCE7=-1.1912623643875122
# ATOMS8=52,54,69,71 REFERENCE8=-1.1033216714859009
# ATOMS9=69,71,73,90 REFERENCE9=-0.8037984371185303
# ATOMS10=71,73,90,92 REFERENCE10=-0.6409981846809387
# ATOMS11=90,92,94,105 REFERENCE11=-0.9619047045707703
# ATOMS12=92,94,105,107 REFERENCE12=-1.0553144216537476
# ATOMS13=105,107,109,117 REFERENCE13=-1.4251856803894043
# ATOMS14=107,109,117,119 REFERENCE14=-0.772596001625061
# ATOMS15=117,119,121,136 REFERENCE15=-0.8170656561851501
# ATOMS16=119,121,136,138 REFERENCE16=-0.47180280089378357
# LABEL=ab
# ... ALPHABETA
# as follows (Click the red comment above to revert to the short version of the input):
ab_torsionsThe TORSION action with label ab_torsions calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_torsions
vector
the TORSION for each set of specified atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMS1the four atoms involved in the torsional angle=16,18,20,23 ATOMS2the four atoms involved in the torsional angle=18,20,23,25 ATOMS3the four atoms involved in the torsional angle=23,25,27,35 ATOMS4the four atoms involved in the torsional angle=25,27,35,37 ATOMS5the four atoms involved in the torsional angle=35,37,39,50     # Action input conctinues with 11 further ATOMSn keywords, 
ab_refThe CONSTANT action with label ab_ref calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_ref
vector
the constant value that was read from the plumed input: CONSTANTCreate a constant value that can be passed to actions More details VALUESthe numbers that are in your constant value=-1.0648072957992554,-0.5233258008956909,-0.9334732890129089,-0.7526759505271912,-1.0944302082061768,-0.39649826288223267,-1.1912623643875122,-1.1033216714859009,-0.8037984371185303,-0.6409981846809387,-0.9619047045707703,-1.0553144216537476,-1.4251856803894043,-0.772596001625061,-0.8170656561851501,-0.47180280089378357
ab_coeffThe CONSTANT action with label ab_coeff calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_coeff
vector
the constant value that was read from the plumed input: CONSTANTCreate a constant value that can be passed to actions More details VALUESthe numbers that are in your constant value=1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1
ab_combThe COMBINE action with label ab_comb calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_comb
vector
the vector obtained by doing an element-wise application of a linear compbination to the input vectors: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=ab_torsions,ab_ref COEFFICIENTS the coefficients of the arguments in your function=1,-1 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
ab_cosThe CUSTOM action with label ab_cos calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_cos
vector
the vector obtained by doing an element-wise application of an arbitrary function to the input vectors: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=ab_comb,ab_coeff FUNCthe function you wish to evaluate=y*(0.5+0.5*cos(x)) PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
abThe SUM action with label ab calculates the following quantities:
 Quantity   
 Type   
 Description  
ab
scalar
the sum of all the elements in the input vector: SUMCalculate the sum of the arguments More details ARGthe values input to this function=ab_cos PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
# --- End of included input --- 
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