PLUMED-NEST

Project ID: plumID:21.017
Source: plumed/pbmetad/plumed.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

RESTARTActivate restart. More details

The RESTART action with label  calculates somethingMOLINFOThis 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/cry_disp.pdb
protThe 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=1-3436
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=5,2614 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=0.5906647443771362} WEIGHT1A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS2the atoms involved in each of the contacts you wish to calculate=7,2614 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=0.5185102820396423} WEIGHT2A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS3the atoms involved in each of the contacts you wish to calculate=7,2615 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=0.593129575252533} WEIGHT3A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS4the atoms involved in each of the contacts you wish to calculate=10,2611 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=0.586646318435669} WEIGHT4A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS5the atoms involved in each of the contacts you wish to calculate=10,2614 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=0.456674724817276} WEIGHT5A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS6the atoms involved in each of the contacts you wish to calculate=10,2615 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=0.49712154269218445} WEIGHT6A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS7the atoms involved in each of the contacts you wish to calculate=13,2614 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=0.4613436460494995} WEIGHT7A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS8the atoms involved in each of the contacts you wish to calculate=13,2615 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=0.452181339263916} WEIGHT8A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS9the atoms involved in each of the contacts you wish to calculate=14,2562 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=0.5097001194953918} WEIGHT9A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS10the atoms involved in each of the contacts you wish to calculate=14,2611 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=0.5882064700126648} WEIGHT10A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS11the atoms involved in each of the contacts you wish to calculate=14,2614 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=0.4207860827445984} WEIGHT11A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS12the atoms involved in each of the contacts you wish to calculate=14,2615 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=0.4133533835411072} WEIGHT12A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS13the atoms involved in each of the contacts you wish to calculate=15,2614 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=0.5561921000480652} WEIGHT13A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS14the atoms involved in each of the contacts you wish to calculate=15,2615 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=0.5145383477210999} WEIGHT14A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS15the atoms involved in each of the contacts you wish to calculate=16,2614 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=0.5202739238739014} WEIGHT15A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS16the atoms involved in each of the contacts you wish to calculate=17,2678 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=0.5749780535697937} WEIGHT16A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS17the atoms involved in each of the contacts you wish to calculate=17,2679 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=0.5931851267814636} WEIGHT17A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS18the atoms involved in each of the contacts you wish to calculate=17,2680 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=0.5596337914466858} WEIGHT18A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS19the atoms involved in each of the contacts you wish to calculate=18,2608 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=0.5085017085075378} WEIGHT19A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS20the atoms involved in each of the contacts you wish to calculate=18,2611 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=0.5004380345344543} WEIGHT20A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS21the atoms involved in each of the contacts you wish to calculate=18,2614 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=0.41073325276374817} WEIGHT21A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS22the atoms involved in each of the contacts you wish to calculate=18,2615 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=0.555889904499054} WEIGHT22A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS23the atoms involved in each of the contacts you wish to calculate=20,71 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=0.5953109860420227} WEIGHT23A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS24the atoms involved in each of the contacts you wish to calculate=20,2606 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=0.5293876528739929} WEIGHT24A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS25the atoms involved in each of the contacts you wish to calculate=20,2608 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=0.3991015553474426} WEIGHT25A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS26the atoms involved in each of the contacts you wish to calculate=20,2611 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=0.4267391562461853} WEIGHT26A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS27the atoms involved in each of the contacts you wish to calculate=20,2614 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=0.384861022233963} WEIGHT27A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS28the atoms involved in each of the contacts you wish to calculate=20,2615 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=0.55092453956604} WEIGHT28A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS29the atoms involved in each of the contacts you wish to calculate=20,2619 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=0.567723274230957} WEIGHT29A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS30the atoms involved in each of the contacts you wish to calculate=20,2620 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=0.5740474462509155} WEIGHT30A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS31the atoms involved in each of the contacts you wish to calculate=20,2675 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=0.5158069133758545} WEIGHT31A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS32the atoms involved in each of the contacts you wish to calculate=20,2678 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=0.5013919472694397} WEIGHT32A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS33the atoms involved in each of the contacts you wish to calculate=20,2679 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=0.5244279503822327} WEIGHT33A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS34the atoms involved in each of the contacts you wish to calculate=20,2680 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=0.5442516803741455} WEIGHT34A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS35the atoms involved in each of the contacts you wish to calculate=23,71 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=0.4722512364387512} WEIGHT35A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS36the atoms involved in each of the contacts you wish to calculate=23,73 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=0.5677766799926758} WEIGHT36A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS37the atoms involved in each of the contacts you wish to calculate=23,75 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=0.5222311019897461} WEIGHT37A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS38the atoms involved in each of the contacts you wish to calculate=23,2606 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=0.5827943682670593} WEIGHT38A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS39the atoms involved in each of the contacts you wish to calculate=23,2608 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=0.46802353858947754} WEIGHT39A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS40the atoms involved in each of the contacts you wish to calculate=23,2611 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=0.5313400626182556} WEIGHT40A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS41the atoms involved in each of the contacts you wish to calculate=23,2614 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=0.49840518832206726} WEIGHT41A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS42the atoms involved in each of the contacts you wish to calculate=23,2619 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=0.5852264165878296} WEIGHT42A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS43the atoms involved in each of the contacts you wish to calculate=23,2620 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=0.586176335811615} WEIGHT43A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS44the atoms involved in each of the contacts you wish to calculate=23,2672 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=0.5724631547927856} WEIGHT44A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS45the atoms involved in each of the contacts you wish to calculate=23,2675 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=0.4418203830718994} WEIGHT45A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS46the atoms involved in each of the contacts you wish to calculate=23,2678 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=0.44946226477622986} WEIGHT46A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS47the atoms involved in each of the contacts you wish to calculate=23,2679 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=0.5072013139724731} WEIGHT47A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS48the atoms involved in each of the contacts you wish to calculate=23,2680 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=0.4773576855659485} WEIGHT48A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS49the atoms involved in each of the contacts you wish to calculate=24,71 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=0.36075639724731445} WEIGHT49A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS50the atoms involved in each of the contacts you wish to calculate=24,73 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=0.4602675437927246} WEIGHT50A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS51the atoms involved in each of the contacts you wish to calculate=24,75 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=0.4309259355068207} WEIGHT51A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS52the atoms involved in each of the contacts you wish to calculate=24,78 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=0.5696892142295837} WEIGHT52A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS53the atoms involved in each of the contacts you wish to calculate=24,90 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=0.5759915709495544} WEIGHT53A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS54the atoms involved in each of the contacts you wish to calculate=24,92 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=0.5737916827201843} WEIGHT54A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS55the atoms involved in each of the contacts you wish to calculate=24,2606 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=0.5465536713600159} WEIGHT55A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS56the atoms involved in each of the contacts you wish to calculate=24,2608 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=0.4407060742378235} WEIGHT56A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS57the atoms involved in each of the contacts you wish to calculate=24,2611 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=0.5248677134513855} WEIGHT57A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS58the atoms involved in each of the contacts you wish to calculate=24,2614 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=0.5014955401420593} WEIGHT58A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS59the atoms involved in each of the contacts you wish to calculate=24,2619 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=0.5348827242851257} WEIGHT59A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS60the atoms involved in each of the contacts you wish to calculate=24,2620 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=0.5512351393699646} WEIGHT60A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS61the atoms involved in each of the contacts you wish to calculate=24,2621 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=0.5498201847076416} WEIGHT61A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS62the atoms involved in each of the contacts you wish to calculate=24,2623 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=0.5609894394874573} WEIGHT62A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS63the atoms involved in each of the contacts you wish to calculate=24,2627 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=0.5207704305648804} WEIGHT63A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS64the atoms involved in each of the contacts you wish to calculate=24,2672 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=0.5424293279647827} WEIGHT64A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS65the atoms involved in each of the contacts you wish to calculate=24,2675 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=0.42329293489456177} WEIGHT65A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS66the atoms involved in each of the contacts you wish to calculate=24,2678 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=0.47217997908592224} WEIGHT66A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS67the atoms involved in each of the contacts you wish to calculate=24,2679 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=0.5396524667739868} WEIGHT67A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS68the atoms involved in each of the contacts you wish to calculate=24,2680 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=0.515897274017334} WEIGHT68A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS69the atoms involved in each of the contacts you wish to calculate=25,2608 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=0.5896017551422119} WEIGHT69A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS70the atoms involved in each of the contacts you wish to calculate=25,2672 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=0.5636327862739563} WEIGHT70A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS71the atoms involved in each of the contacts you wish to calculate=25,2675 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=0.4471566081047058} WEIGHT71A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS72the atoms involved in each of the contacts you wish to calculate=25,2678 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=0.42888006567955017} WEIGHT72A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS73the atoms involved in each of the contacts you wish to calculate=25,2679 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=0.5004608631134033} WEIGHT73A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS74the atoms involved in each of the contacts you wish to calculate=25,2680 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=0.4185190498828888} WEIGHT74A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS75the atoms involved in each of the contacts you wish to calculate=27,92 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=0.5413738489151001} WEIGHT75A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS76the atoms involved in each of the contacts you wish to calculate=27,99 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=0.5550334453582764} WEIGHT76A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS77the atoms involved in each of the contacts you wish to calculate=27,2672 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=0.516051173210144} WEIGHT77A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS78the atoms involved in each of the contacts you wish to calculate=27,2675 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=0.4324117600917816} WEIGHT78A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS79the atoms involved in each of the contacts you wish to calculate=27,2678 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=0.4340057075023651} WEIGHT79A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS80the atoms involved in each of the contacts you wish to calculate=27,2679 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=0.5321541428565979} WEIGHT80A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS81the atoms involved in each of the contacts you wish to calculate=27,2680 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=0.4001438617706299} WEIGHT81A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS82the atoms involved in each of the contacts you wish to calculate=27,2760 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=0.5404572486877441} WEIGHT82A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS83the atoms involved in each of the contacts you wish to calculate=29,99 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=0.5563212037086487} WEIGHT83A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS84the atoms involved in each of the contacts you wish to calculate=29,2672 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=0.5650114417076111} WEIGHT84A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS85the atoms involved in each of the contacts you wish to calculate=29,2675 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=0.5007882118225098} WEIGHT85A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS86the atoms involved in each of the contacts you wish to calculate=29,2678 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=0.46722137928009033} WEIGHT86A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS87the atoms involved in each of the contacts you wish to calculate=29,2679 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=0.5638341307640076} WEIGHT87A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS88the atoms involved in each of the contacts you wish to calculate=29,2680 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=0.3904639184474945} WEIGHT88A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS89the atoms involved in each of the contacts you wish to calculate=29,2757 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=0.5927574038505554} WEIGHT89A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS90the atoms involved in each of the contacts you wish to calculate=29,2760 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=0.49213939905166626} WEIGHT90A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS91the atoms involved in each of the contacts you wish to calculate=32,99 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=0.5191494226455688} WEIGHT91A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS92the atoms involved in each of the contacts you wish to calculate=32,102 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=0.5889125466346741} WEIGHT92A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS93the atoms involved in each of the contacts you wish to calculate=32,2672 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=0.5022460222244263} WEIGHT93A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS94the atoms involved in each of the contacts you wish to calculate=32,2675 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=0.47684159874916077} WEIGHT94A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS95the atoms involved in each of the contacts you wish to calculate=32,2678 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=0.4437395930290222} WEIGHT95A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS96the atoms involved in each of the contacts you wish to calculate=32,2679 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=0.550187349319458} WEIGHT96A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS97the atoms involved in each of the contacts you wish to calculate=32,2680 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=0.34333813190460205} WEIGHT97A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS98the atoms involved in each of the contacts you wish to calculate=32,2754 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=0.5969977378845215} WEIGHT98A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS99the atoms involved in each of the contacts you wish to calculate=32,2757 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=0.4662296772003174} WEIGHT99A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS100the atoms involved in each of the contacts you wish to calculate=32,2760 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=0.35084468126296997} WEIGHT100A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS101the atoms involved in each of the contacts you wish to calculate=33,92 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=0.5789807438850403} WEIGHT101A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS102the atoms involved in each of the contacts you wish to calculate=33,99 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=0.513350784778595} WEIGHT102A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS103the atoms involved in each of the contacts you wish to calculate=33,102 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=0.5722209811210632} WEIGHT103A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS104the atoms involved in each of the contacts you wish to calculate=33,2668 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=0.5915659666061401} WEIGHT104A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS105the atoms involved in each of the contacts you wish to calculate=33,2670 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=0.4922378659248352} WEIGHT105A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS106the atoms involved in each of the contacts you wish to calculate=33,2672 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=0.3836851418018341} WEIGHT106A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS107the atoms involved in each of the contacts you wish to calculate=33,2675 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=0.377132773399353} WEIGHT107A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS108the atoms involved in each of the contacts you wish to calculate=33,2678 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=0.36823368072509766} WEIGHT108A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS109the atoms involved in each of the contacts you wish to calculate=33,2679 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=0.4850786626338959} WEIGHT109A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS110the atoms involved in each of the contacts you wish to calculate=33,2680 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=0.28270500898361206} WEIGHT110A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS111the atoms involved in each of the contacts you wish to calculate=33,2683 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=0.5811462998390198} WEIGHT111A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS112the atoms involved in each of the contacts you wish to calculate=33,2684 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=0.5934146046638489} WEIGHT112A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS113the atoms involved in each of the contacts you wish to calculate=33,2751 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=0.5508733987808228} WEIGHT113A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS114the atoms involved in each of the contacts you wish to calculate=33,2754 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=0.5102052688598633} WEIGHT114A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS115the atoms involved in each of the contacts you wish to calculate=33,2757 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=0.3786570429801941} WEIGHT115A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS116the atoms involved in each of the contacts you wish to calculate=33,2760 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=0.2831907868385315} WEIGHT116A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS117the atoms involved in each of the contacts you wish to calculate=34,99 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=0.5657216906547546} WEIGHT117A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS118the atoms involved in each of the contacts you wish to calculate=34,2672 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=0.587437093257904} WEIGHT118A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS119the atoms involved in each of the contacts you wish to calculate=34,2675 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=0.5748348236083984} WEIGHT119A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS120the atoms involved in each of the contacts you wish to calculate=34,2678 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=0.5223351120948792} WEIGHT120A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS121the atoms involved in each of the contacts you wish to calculate=34,2680 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=0.40363872051239014} WEIGHT121A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS122the atoms involved in each of the contacts you wish to calculate=34,2757 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=0.49774396419525146} WEIGHT122A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS123the atoms involved in each of the contacts you wish to calculate=34,2760 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=0.3613321781158447} WEIGHT123A weight value for a given contact, by default is 1=0.0013157894736842105
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=0.4354642629623413} WEIGHT124A weight value for a given contact, by default is 1=0.0013157894736842105
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=0.5330639481544495} WEIGHT125A weight value for a given contact, by default is 1=0.0013157894736842105
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=0.5001931190490723} WEIGHT126A weight value for a given contact, by default is 1=0.0013157894736842105
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=0.46458980441093445} WEIGHT127A weight value for a given contact, by default is 1=0.0013157894736842105
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=0.5992807745933533} WEIGHT128A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS129the atoms involved in each of the contacts you wish to calculate=35,107 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=0.5969147086143494} WEIGHT129A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS130the atoms involved in each of the contacts you wish to calculate=35,2675 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=0.5383909344673157} WEIGHT130A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS131the atoms involved in each of the contacts you wish to calculate=35,2678 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=0.5681493878364563} WEIGHT131A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS132the atoms involved in each of the contacts you wish to calculate=35,2680 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=0.5403276681900024} WEIGHT132A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS133the atoms involved in each of the contacts you wish to calculate=35,2760 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=0.5831187963485718} WEIGHT133A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS134the atoms involved in each of the contacts you wish to calculate=36,92 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=0.3130080997943878} WEIGHT134A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS135the atoms involved in each of the contacts you wish to calculate=36,94 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=0.4137173295021057} WEIGHT135A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS136the atoms involved in each of the contacts you wish to calculate=36,96 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=0.39495566487312317} WEIGHT136A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS137the atoms involved in each of the contacts you wish to calculate=36,99 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=0.37117165327072144} WEIGHT137A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS138the atoms involved in each of the contacts you wish to calculate=36,102 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=0.5072535872459412} WEIGHT138A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS139the atoms involved in each of the contacts you wish to calculate=36,103 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=0.5630761384963989} WEIGHT139A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS140the atoms involved in each of the contacts you wish to calculate=36,104 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=0.5923940539360046} WEIGHT140A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS141the atoms involved in each of the contacts you wish to calculate=36,105 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=0.5115256309509277} WEIGHT141A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS142the atoms involved in each of the contacts you wish to calculate=36,107 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=0.4952453672885895} WEIGHT142A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS143the atoms involved in each of the contacts you wish to calculate=36,2672 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=0.5923876762390137} WEIGHT143A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS144the atoms involved in each of the contacts you wish to calculate=36,2675 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=0.5485928654670715} WEIGHT144A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS145the atoms involved in each of the contacts you wish to calculate=36,2680 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=0.583881139755249} WEIGHT145A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS146the atoms involved in each of the contacts you wish to calculate=36,2757 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=0.5736783146858215} WEIGHT146A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS147the atoms involved in each of the contacts you wish to calculate=36,2760 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=0.5473650693893433} WEIGHT147A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS148the atoms involved in each of the contacts you wish to calculate=39,107 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=0.5196257829666138} WEIGHT148A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS149the atoms involved in each of the contacts you wish to calculate=39,111 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=0.5673843622207642} WEIGHT149A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS150the atoms involved in each of the contacts you wish to calculate=50,107 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=0.40717196464538574} WEIGHT150A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS151the atoms involved in each of the contacts you wish to calculate=50,109 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=0.4873991310596466} WEIGHT151A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS152the atoms involved in each of the contacts you wish to calculate=50,111 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=0.4420057237148285} WEIGHT152A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS153the atoms involved in each of the contacts you wish to calculate=50,114 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=0.5708449482917786} WEIGHT153A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS154the atoms involved in each of the contacts you wish to calculate=51,107 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=0.2938857972621918} WEIGHT154A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS155the atoms involved in each of the contacts you wish to calculate=51,109 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=0.37061816453933716} WEIGHT155A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS156the atoms involved in each of the contacts you wish to calculate=51,111 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=0.3372995853424072} WEIGHT156A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS157the atoms involved in each of the contacts you wish to calculate=51,114 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=0.4706655740737915} WEIGHT157A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS158the atoms involved in each of the contacts you wish to calculate=51,115 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=0.5488508939743042} WEIGHT158A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS159the atoms involved in each of the contacts you wish to calculate=51,116 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=0.5303713083267212} WEIGHT159A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS160the atoms involved in each of the contacts you wish to calculate=51,117 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=0.49742230772972107} WEIGHT160A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS161the atoms involved in each of the contacts you wish to calculate=51,119 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=0.5170280337333679} WEIGHT161A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS162the atoms involved in each of the contacts you wish to calculate=51,2491 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=0.5902647972106934} WEIGHT162A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS163the atoms involved in each of the contacts you wish to calculate=52,2491 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=0.570267915725708} WEIGHT163A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS164the atoms involved in each of the contacts you wish to calculate=52,2627 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=0.5942329168319702} WEIGHT164A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS165the atoms involved in each of the contacts you wish to calculate=54,119 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=0.5332401394844055} WEIGHT165A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS166the atoms involved in each of the contacts you wish to calculate=54,123 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=0.5982155799865723} WEIGHT166A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS167the atoms involved in each of the contacts you wish to calculate=54,2489 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=0.5041608810424805} WEIGHT167A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS168the atoms involved in each of the contacts you wish to calculate=54,2491 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=0.44624415040016174} WEIGHT168A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS169the atoms involved in each of the contacts you wish to calculate=54,2493 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=0.505925178527832} WEIGHT169A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS170the atoms involved in each of the contacts you wish to calculate=54,2627 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=0.5035719275474548} WEIGHT170A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS171the atoms involved in each of the contacts you wish to calculate=56,2484 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=0.5807527899742126} WEIGHT171A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS172the atoms involved in each of the contacts you wish to calculate=56,2489 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=0.5446047782897949} WEIGHT172A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS173the atoms involved in each of the contacts you wish to calculate=56,2491 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=0.46060168743133545} WEIGHT173A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS174the atoms involved in each of the contacts you wish to calculate=56,2493 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=0.47651466727256775} WEIGHT174A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS175the atoms involved in each of the contacts you wish to calculate=56,2556 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=0.5607534050941467} WEIGHT175A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS176the atoms involved in each of the contacts you wish to calculate=56,2558 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=0.5088067054748535} WEIGHT176A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS177the atoms involved in each of the contacts you wish to calculate=56,2561 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=0.5793740153312683} WEIGHT177A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS178the atoms involved in each of the contacts you wish to calculate=56,2562 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=0.5907469987869263} WEIGHT178A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS179the atoms involved in each of the contacts you wish to calculate=56,2564 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=0.5451614260673523} WEIGHT179A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS180the atoms involved in each of the contacts you wish to calculate=56,2565 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=0.5082892775535583} WEIGHT180A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS181the atoms involved in each of the contacts you wish to calculate=56,2608 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=0.5343676209449768} WEIGHT181A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS182the atoms involved in each of the contacts you wish to calculate=56,2611 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=0.5906954407691956} WEIGHT182A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS183the atoms involved in each of the contacts you wish to calculate=56,2614 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=0.5247218012809753} WEIGHT183A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS184the atoms involved in each of the contacts you wish to calculate=56,2625 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=0.5954309701919556} WEIGHT184A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS185the atoms involved in each of the contacts you wish to calculate=56,2627 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=0.452328085899353} WEIGHT185A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS186the atoms involved in each of the contacts you wish to calculate=58,123 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=0.5879328846931458} WEIGHT186A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS187the atoms involved in each of the contacts you wish to calculate=58,2481 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=0.5321964621543884} WEIGHT187A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS188the atoms involved in each of the contacts you wish to calculate=58,2484 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=0.4766978323459625} WEIGHT188A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS189the atoms involved in each of the contacts you wish to calculate=58,2485 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=0.551134467124939} WEIGHT189A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS190the atoms involved in each of the contacts you wish to calculate=58,2487 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=0.549913763999939} WEIGHT190A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS191the atoms involved in each of the contacts you wish to calculate=58,2489 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=0.48523950576782227} WEIGHT191A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS192the atoms involved in each of the contacts you wish to calculate=58,2491 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=0.40989378094673157} WEIGHT192A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS193the atoms involved in each of the contacts you wish to calculate=58,2493 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=0.39925074577331543} WEIGHT193A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS194the atoms involved in each of the contacts you wish to calculate=58,2556 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=0.4958239793777466} WEIGHT194A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS195the atoms involved in each of the contacts you wish to calculate=58,2558 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=0.4450991153717041} WEIGHT195A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS196the atoms involved in each of the contacts you wish to calculate=58,2561 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=0.5452660918235779} WEIGHT196A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS197the atoms involved in each of the contacts you wish to calculate=58,2562 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=0.5861696600914001} WEIGHT197A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS198the atoms involved in each of the contacts you wish to calculate=58,2564 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=0.45119398832321167} WEIGHT198A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS199the atoms involved in each of the contacts you wish to calculate=58,2565 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=0.4243546724319458} WEIGHT199A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS200the atoms involved in each of the contacts you wish to calculate=58,2566 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=0.5097145438194275} WEIGHT200A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS201the atoms involved in each of the contacts you wish to calculate=58,2568 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=0.5655313730239868} WEIGHT201A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS202the atoms involved in each of the contacts you wish to calculate=58,2608 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=0.5321520566940308} WEIGHT202A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS203the atoms involved in each of the contacts you wish to calculate=58,2611 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=0.5979047417640686} WEIGHT203A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS204the atoms involved in each of the contacts you wish to calculate=58,2614 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=0.5613822340965271} WEIGHT204A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS205the atoms involved in each of the contacts you wish to calculate=58,2621 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=0.5451663732528687} WEIGHT205A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS206the atoms involved in each of the contacts you wish to calculate=58,2623 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=0.5671552419662476} WEIGHT206A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS207the atoms involved in each of the contacts you wish to calculate=58,2625 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=0.5086638927459717} WEIGHT207A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS208the atoms involved in each of the contacts you wish to calculate=58,2627 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=0.36042720079421997} WEIGHT208A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS209the atoms involved in each of the contacts you wish to calculate=58,2631 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=0.5572584867477417} WEIGHT209A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS210the atoms involved in each of the contacts you wish to calculate=62,2491 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=0.4959251284599304} WEIGHT210A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS211the atoms involved in each of the contacts you wish to calculate=62,2493 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=0.4925505816936493} WEIGHT211A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS212the atoms involved in each of the contacts you wish to calculate=62,2556 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=0.5099693536758423} WEIGHT212A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS213the atoms involved in each of the contacts you wish to calculate=62,2558 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=0.4461304247379303} WEIGHT213A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS214the atoms involved in each of the contacts you wish to calculate=62,2561 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=0.48229286074638367} WEIGHT214A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS215the atoms involved in each of the contacts you wish to calculate=62,2562 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=0.4720786213874817} WEIGHT215A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS216the atoms involved in each of the contacts you wish to calculate=62,2563 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=0.5577703714370728} WEIGHT216A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS217the atoms involved in each of the contacts you wish to calculate=62,2564 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=0.5365828275680542} WEIGHT217A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS218the atoms involved in each of the contacts you wish to calculate=62,2565 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=0.5174807906150818} WEIGHT218A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS219the atoms involved in each of the contacts you wish to calculate=62,2608 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=0.5378225445747375} WEIGHT219A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS220the atoms involved in each of the contacts you wish to calculate=62,2611 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=0.5543369650840759} WEIGHT220A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS221the atoms involved in each of the contacts you wish to calculate=62,2614 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=0.44685274362564087} WEIGHT221A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS222the atoms involved in each of the contacts you wish to calculate=62,2615 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=0.5792229175567627} WEIGHT222A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS223the atoms involved in each of the contacts you wish to calculate=62,2627 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=0.5770829319953918} WEIGHT223A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS224the atoms involved in each of the contacts you wish to calculate=65,2481 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=0.5823349952697754} WEIGHT224A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS225the atoms involved in each of the contacts you wish to calculate=65,2484 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=0.5270158052444458} WEIGHT225A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS226the atoms involved in each of the contacts you wish to calculate=65,2489 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=0.5300132632255554} WEIGHT226A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS227the atoms involved in each of the contacts you wish to calculate=65,2491 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=0.4038487672805786} WEIGHT227A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS228the atoms involved in each of the contacts you wish to calculate=65,2493 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=0.3975047171115875} WEIGHT228A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS229the atoms involved in each of the contacts you wish to calculate=65,2556 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=0.5365263819694519} WEIGHT229A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS230the atoms involved in each of the contacts you wish to calculate=65,2558 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=0.43273791670799255} WEIGHT230A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS231the atoms involved in each of the contacts you wish to calculate=65,2561 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=0.4378633499145508} WEIGHT231A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS232the atoms involved in each of the contacts you wish to calculate=65,2562 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=0.4420183002948761} WEIGHT232A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS233the atoms involved in each of the contacts you wish to calculate=65,2563 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=0.4833071529865265} WEIGHT233A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS234the atoms involved in each of the contacts you wish to calculate=65,2564 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=0.5817170143127441} WEIGHT234A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS235the atoms involved in each of the contacts you wish to calculate=65,2565 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=0.5931829810142517} WEIGHT235A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS236the atoms involved in each of the contacts you wish to calculate=65,2614 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=0.54828941822052} WEIGHT236A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS237the atoms involved in each of the contacts you wish to calculate=69,119 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=0.4360518753528595} WEIGHT237A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS238the atoms involved in each of the contacts you wish to calculate=69,121 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=0.5199857950210571} WEIGHT238A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS239the atoms involved in each of the contacts you wish to calculate=69,123 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=0.4815289378166199} WEIGHT239A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS240the atoms involved in each of the contacts you wish to calculate=69,2487 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=0.5907658934593201} WEIGHT240A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS241the atoms involved in each of the contacts you wish to calculate=69,2489 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=0.4980502426624298} WEIGHT241A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS242the atoms involved in each of the contacts you wish to calculate=69,2491 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=0.478290319442749} WEIGHT242A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS243the atoms involved in each of the contacts you wish to calculate=69,2493 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=0.5465455651283264} WEIGHT243A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS244the atoms involved in each of the contacts you wish to calculate=69,2625 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=0.5617954730987549} WEIGHT244A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS245the atoms involved in each of the contacts you wish to calculate=69,2627 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=0.42400580644607544} WEIGHT245A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS246the atoms involved in each of the contacts you wish to calculate=70,119 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=0.32677388191223145} WEIGHT246A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS247the atoms involved in each of the contacts you wish to calculate=70,121 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=0.4037042558193207} WEIGHT247A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS248the atoms involved in each of the contacts you wish to calculate=70,123 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=0.36688151955604553} WEIGHT248A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS249the atoms involved in each of the contacts you wish to calculate=70,126 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=0.5034090876579285} WEIGHT249A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS250the atoms involved in each of the contacts you wish to calculate=70,128 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=0.5942509770393372} WEIGHT250A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS251the atoms involved in each of the contacts you wish to calculate=70,132 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=0.5065158009529114} WEIGHT251A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS252the atoms involved in each of the contacts you wish to calculate=70,136 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=0.5196980834007263} WEIGHT252A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS253the atoms involved in each of the contacts you wish to calculate=70,138 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=0.5132380127906799} WEIGHT253A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS254the atoms involved in each of the contacts you wish to calculate=70,2484 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=0.5650851130485535} WEIGHT254A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS255the atoms involved in each of the contacts you wish to calculate=70,2485 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=0.567402720451355} WEIGHT255A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS256the atoms involved in each of the contacts you wish to calculate=70,2487 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=0.48975709080696106} WEIGHT256A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS257the atoms involved in each of the contacts you wish to calculate=70,2489 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=0.40472182631492615} WEIGHT257A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS258the atoms involved in each of the contacts you wish to calculate=70,2491 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=0.41375279426574707} WEIGHT258A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS259the atoms involved in each of the contacts you wish to calculate=70,2493 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=0.4953722655773163} WEIGHT259A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS260the atoms involved in each of the contacts you wish to calculate=70,2625 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=0.5846248269081116} WEIGHT260A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS261the atoms involved in each of the contacts you wish to calculate=70,2627 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=0.44657471776008606} WEIGHT261A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS262the atoms involved in each of the contacts you wish to calculate=71,2623 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=0.5610796809196472} WEIGHT262A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS263the atoms involved in each of the contacts you wish to calculate=71,2625 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=0.5159304141998291} WEIGHT263A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS264the atoms involved in each of the contacts you wish to calculate=71,2627 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=0.40010371804237366} WEIGHT264A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS265the atoms involved in each of the contacts you wish to calculate=71,2672 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=0.5967335104942322} WEIGHT265A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS266the atoms involved in each of the contacts you wish to calculate=71,2675 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=0.5588722825050354} WEIGHT266A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS267the atoms involved in each of the contacts you wish to calculate=73,138 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=0.5169427990913391} WEIGHT267A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS268the atoms involved in each of the contacts you wish to calculate=73,140 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=0.5928582549095154} WEIGHT268A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS269the atoms involved in each of the contacts you wish to calculate=73,142 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=0.5453117489814758} WEIGHT269A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS270the atoms involved in each of the contacts you wish to calculate=73,145 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=0.4934612214565277} WEIGHT270A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS271the atoms involved in each of the contacts you wish to calculate=73,2623 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=0.5388705730438232} WEIGHT271A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS272the atoms involved in each of the contacts you wish to calculate=73,2625 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=0.48216524720191956} WEIGHT272A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS273the atoms involved in each of the contacts you wish to calculate=73,2627 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=0.395525187253952} WEIGHT273A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS274the atoms involved in each of the contacts you wish to calculate=73,2636 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=0.5975691080093384} WEIGHT274A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS275the atoms involved in each of the contacts you wish to calculate=73,2672 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=0.5441213250160217} WEIGHT275A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS276the atoms involved in each of the contacts you wish to calculate=73,2675 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=0.5434494614601135} WEIGHT276A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS277the atoms involved in each of the contacts you wish to calculate=73,2757 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=0.5853456854820251} WEIGHT277A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS278the atoms involved in each of the contacts you wish to calculate=75,142 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=0.5923731327056885} WEIGHT278A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS279the atoms involved in each of the contacts you wish to calculate=75,145 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=0.538177490234375} WEIGHT279A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS280the atoms involved in each of the contacts you wish to calculate=75,2621 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=0.5939504504203796} WEIGHT280A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS281the atoms involved in each of the contacts you wish to calculate=75,2623 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=0.49890923500061035} WEIGHT281A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS282the atoms involved in each of the contacts you wish to calculate=75,2625 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=0.4806707203388214} WEIGHT282A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS283the atoms involved in each of the contacts you wish to calculate=75,2627 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=0.4315405786037445} WEIGHT283A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS284the atoms involved in each of the contacts you wish to calculate=75,2635 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=0.5650139451026917} WEIGHT284A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS285the atoms involved in each of the contacts you wish to calculate=75,2636 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=0.5173834562301636} WEIGHT285A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS286the atoms involved in each of the contacts you wish to calculate=75,2670 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=0.5442600250244141} WEIGHT286A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS287the atoms involved in each of the contacts you wish to calculate=75,2672 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=0.3985207974910736} WEIGHT287A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS288the atoms involved in each of the contacts you wish to calculate=75,2675 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=0.41199761629104614} WEIGHT288A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS289the atoms involved in each of the contacts you wish to calculate=75,2678 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=0.5404636859893799} WEIGHT289A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS290the atoms involved in each of the contacts you wish to calculate=75,2680 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=0.5697199702262878} WEIGHT290A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS291the atoms involved in each of the contacts you wish to calculate=75,2683 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=0.5866734385490417} WEIGHT291A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS292the atoms involved in each of the contacts you wish to calculate=75,2685 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=0.5989571213722229} WEIGHT292A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS293the atoms involved in each of the contacts you wish to calculate=75,2754 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=0.5846898555755615} WEIGHT293A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS294the atoms involved in each of the contacts you wish to calculate=75,2757 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=0.4653022587299347} WEIGHT294A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS295the atoms involved in each of the contacts you wish to calculate=75,2760 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=0.5174592137336731} WEIGHT295A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS296the atoms involved in each of the contacts you wish to calculate=78,138 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=0.5944092273712158} WEIGHT296A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS297the atoms involved in each of the contacts you wish to calculate=78,142 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=0.5096914172172546} WEIGHT297A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS298the atoms involved in each of the contacts you wish to calculate=78,145 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=0.44586360454559326} WEIGHT298A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS299the atoms involved in each of the contacts you wish to calculate=78,148 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=0.5882790088653564} WEIGHT299A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS300the atoms involved in each of the contacts you wish to calculate=78,149 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=0.5732671022415161} WEIGHT300A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS301the atoms involved in each of the contacts you wish to calculate=78,2623 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=0.5147303938865662} WEIGHT301A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS302the atoms involved in each of the contacts you wish to calculate=78,2625 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=0.48978909850120544} WEIGHT302A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS303the atoms involved in each of the contacts you wish to calculate=78,2627 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=0.4794395864009857} WEIGHT303A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS304the atoms involved in each of the contacts you wish to calculate=78,2635 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=0.5446043014526367} WEIGHT304A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS305the atoms involved in each of the contacts you wish to calculate=78,2636 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=0.4694686532020569} WEIGHT305A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS306the atoms involved in each of the contacts you wish to calculate=78,2668 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=0.5895166397094727} WEIGHT306A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS307the atoms involved in each of the contacts you wish to calculate=78,2670 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=0.5071703791618347} WEIGHT307A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS308the atoms involved in each of the contacts you wish to calculate=78,2672 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=0.38238435983657837} WEIGHT308A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS309the atoms involved in each of the contacts you wish to calculate=78,2675 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=0.44780001044273376} WEIGHT309A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS310the atoms involved in each of the contacts you wish to calculate=78,2678 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=0.5822161436080933} WEIGHT310A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS311the atoms involved in each of the contacts you wish to calculate=78,2683 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=0.5102418661117554} WEIGHT311A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS312the atoms involved in each of the contacts you wish to calculate=78,2684 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=0.5579791069030762} WEIGHT312A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS313the atoms involved in each of the contacts you wish to calculate=78,2685 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=0.509981095790863} WEIGHT313A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS314the atoms involved in each of the contacts you wish to calculate=78,2687 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=0.5681637525558472} WEIGHT314A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS315the atoms involved in each of the contacts you wish to calculate=78,2751 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=0.5078712701797485} WEIGHT315A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS316the atoms involved in each of the contacts you wish to calculate=78,2754 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=0.49254167079925537} WEIGHT316A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS317the atoms involved in each of the contacts you wish to calculate=78,2757 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=0.40187209844589233} WEIGHT317A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS318the atoms involved in each of the contacts you wish to calculate=78,2760 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=0.49101224541664124} WEIGHT318A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS319the atoms involved in each of the contacts you wish to calculate=79,142 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=0.5647750496864319} WEIGHT319A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS320the atoms involved in each of the contacts you wish to calculate=79,145 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=0.47190043330192566} WEIGHT320A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS321the atoms involved in each of the contacts you wish to calculate=79,148 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=0.5821287631988525} WEIGHT321A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS322the atoms involved in each of the contacts you wish to calculate=79,149 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=0.540130615234375} WEIGHT322A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS323the atoms involved in each of the contacts you wish to calculate=79,656 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=0.5750181674957275} WEIGHT323A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS324the atoms involved in each of the contacts you wish to calculate=79,658 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=0.5793154835700989} WEIGHT324A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS325the atoms involved in each of the contacts you wish to calculate=79,2621 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=0.5699335932731628} WEIGHT325A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS326the atoms involved in each of the contacts you wish to calculate=79,2623 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=0.43549710512161255} WEIGHT326A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS327the atoms involved in each of the contacts you wish to calculate=79,2625 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=0.42063960433006287} WEIGHT327A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS328the atoms involved in each of the contacts you wish to calculate=79,2627 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=0.45383113622665405} WEIGHT328A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS329the atoms involved in each of the contacts you wish to calculate=79,2631 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=0.5564976930618286} WEIGHT329A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS330the atoms involved in each of the contacts you wish to calculate=79,2635 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=0.4346681237220764} WEIGHT330A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS331the atoms involved in each of the contacts you wish to calculate=79,2636 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=0.345342218875885} WEIGHT331A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS332the atoms involved in each of the contacts you wish to calculate=79,2637 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=0.5585058927536011} WEIGHT332A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS333the atoms involved in each of the contacts you wish to calculate=79,2668 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=0.5056917667388916} WEIGHT333A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS334the atoms involved in each of the contacts you wish to calculate=79,2670 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=0.43737632036209106} WEIGHT334A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS335the atoms involved in each of the contacts you wish to calculate=79,2672 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=0.3410423994064331} WEIGHT335A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS336the atoms involved in each of the contacts you wish to calculate=79,2675 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=0.4256419837474823} WEIGHT336A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS337the atoms involved in each of the contacts you wish to calculate=79,2678 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=0.5683361291885376} WEIGHT337A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS338the atoms involved in each of the contacts you wish to calculate=79,2683 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=0.42028674483299255} WEIGHT338A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS339the atoms involved in each of the contacts you wish to calculate=79,2684 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=0.4826538860797882} WEIGHT339A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS340the atoms involved in each of the contacts you wish to calculate=79,2685 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=0.3930025100708008} WEIGHT340A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS341the atoms involved in each of the contacts you wish to calculate=79,2687 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=0.4459441602230072} WEIGHT341A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS342the atoms involved in each of the contacts you wish to calculate=79,2689 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=0.48267608880996704} WEIGHT342A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS343the atoms involved in each of the contacts you wish to calculate=79,2692 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=0.4962373971939087} WEIGHT343A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS344the atoms involved in each of the contacts you wish to calculate=79,2707 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=0.5896116495132446} WEIGHT344A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS345the atoms involved in each of the contacts you wish to calculate=79,2748 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=0.5747185349464417} WEIGHT345A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS346the atoms involved in each of the contacts you wish to calculate=79,2751 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=0.49213916063308716} WEIGHT346A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS347the atoms involved in each of the contacts you wish to calculate=79,2754 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=0.5181862115859985} WEIGHT347A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS348the atoms involved in each of the contacts you wish to calculate=79,2757 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=0.4578000009059906} WEIGHT348A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS349the atoms involved in each of the contacts you wish to calculate=79,2760 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=0.5521382689476013} WEIGHT349A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS350the atoms involved in each of the contacts you wish to calculate=81,142 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=0.5416521430015564} WEIGHT350A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS351the atoms involved in each of the contacts you wish to calculate=81,145 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=0.4500156044960022} WEIGHT351A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS352the atoms involved in each of the contacts you wish to calculate=81,148 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=0.5463861227035522} WEIGHT352A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS353the atoms involved in each of the contacts you wish to calculate=81,149 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=0.5240314602851868} WEIGHT353A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS354the atoms involved in each of the contacts you wish to calculate=81,588 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=0.54373699426651} WEIGHT354A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS355the atoms involved in each of the contacts you wish to calculate=81,655 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=0.5999292135238647} WEIGHT355A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS356the atoms involved in each of the contacts you wish to calculate=81,656 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=0.5315840244293213} WEIGHT356A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS357the atoms involved in each of the contacts you wish to calculate=81,658 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=0.545782208442688} WEIGHT357A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS358the atoms involved in each of the contacts you wish to calculate=81,2623 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=0.5294727683067322} WEIGHT358A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS359the atoms involved in each of the contacts you wish to calculate=81,2625 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=0.512668788433075} WEIGHT359A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS360the atoms involved in each of the contacts you wish to calculate=81,2627 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=0.5677062273025513} WEIGHT360A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS361the atoms involved in each of the contacts you wish to calculate=81,2635 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=0.49387872219085693} WEIGHT361A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS362the atoms involved in each of the contacts you wish to calculate=81,2636 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=0.38456884026527405} WEIGHT362A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS363the atoms involved in each of the contacts you wish to calculate=81,2668 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=0.5414721965789795} WEIGHT363A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS364the atoms involved in each of the contacts you wish to calculate=81,2670 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=0.4613306224346161} WEIGHT364A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS365the atoms involved in each of the contacts you wish to calculate=81,2672 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=0.40188300609588623} WEIGHT365A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS366the atoms involved in each of the contacts you wish to calculate=81,2675 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=0.5175354480743408} WEIGHT366A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS367the atoms involved in each of the contacts you wish to calculate=81,2683 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=0.3963698148727417} WEIGHT367A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS368the atoms involved in each of the contacts you wish to calculate=81,2684 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=0.4353240430355072} WEIGHT368A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS369the atoms involved in each of the contacts you wish to calculate=81,2685 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=0.35531818866729736} WEIGHT369A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS370the atoms involved in each of the contacts you wish to calculate=81,2687 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=0.3645520508289337} WEIGHT370A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS371the atoms involved in each of the contacts you wish to calculate=81,2689 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=0.40052488446235657} WEIGHT371A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS372the atoms involved in each of the contacts you wish to calculate=81,2692 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=0.38619619607925415} WEIGHT372A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS373the atoms involved in each of the contacts you wish to calculate=81,2695 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=0.5229702591896057} WEIGHT373A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS374the atoms involved in each of the contacts you wish to calculate=81,2698 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=0.5706301927566528} WEIGHT374A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS375the atoms involved in each of the contacts you wish to calculate=81,2700 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=0.5851844549179077} WEIGHT375A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS376the atoms involved in each of the contacts you wish to calculate=81,2701 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=0.5488705039024353} WEIGHT376A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS377the atoms involved in each of the contacts you wish to calculate=81,2707 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=0.5017110705375671} WEIGHT377A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS378the atoms involved in each of the contacts you wish to calculate=81,2708 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=0.5307138562202454} WEIGHT378A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS379the atoms involved in each of the contacts you wish to calculate=81,2748 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=0.4757833778858185} WEIGHT379A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS380the atoms involved in each of the contacts you wish to calculate=81,2751 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=0.4239305853843689} WEIGHT380A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS381the atoms involved in each of the contacts you wish to calculate=81,2754 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=0.4678516983985901} WEIGHT381A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS382the atoms involved in each of the contacts you wish to calculate=81,2757 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=0.44923606514930725} WEIGHT382A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS383the atoms involved in each of the contacts you wish to calculate=81,2760 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=0.5654280781745911} WEIGHT383A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS384the atoms involved in each of the contacts you wish to calculate=83,142 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=0.4665299952030182} WEIGHT384A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS385the atoms involved in each of the contacts you wish to calculate=83,145 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=0.40642261505126953} WEIGHT385A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS386the atoms involved in each of the contacts you wish to calculate=83,148 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=0.5204278230667114} WEIGHT386A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS387the atoms involved in each of the contacts you wish to calculate=83,149 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=0.5454781651496887} WEIGHT387A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS388the atoms involved in each of the contacts you wish to calculate=83,588 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=0.452443391084671} WEIGHT388A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS389the atoms involved in each of the contacts you wish to calculate=83,2636 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=0.5242083668708801} WEIGHT389A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS390the atoms involved in each of the contacts you wish to calculate=83,2670 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=0.5467894673347473} WEIGHT390A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS391the atoms involved in each of the contacts you wish to calculate=83,2672 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=0.4871581196784973} WEIGHT391A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS392the atoms involved in each of the contacts you wish to calculate=83,2683 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=0.46871936321258545} WEIGHT392A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS393the atoms involved in each of the contacts you wish to calculate=83,2684 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=0.472755491733551} WEIGHT393A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS394the atoms involved in each of the contacts you wish to calculate=83,2685 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=0.44844380021095276} WEIGHT394A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS395the atoms involved in each of the contacts you wish to calculate=83,2687 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=0.43351006507873535} WEIGHT395A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS396the atoms involved in each of the contacts you wish to calculate=83,2689 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=0.4815652370452881} WEIGHT396A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS397the atoms involved in each of the contacts you wish to calculate=83,2692 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=0.43436673283576965} WEIGHT397A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS398the atoms involved in each of the contacts you wish to calculate=83,2695 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=0.5467674732208252} WEIGHT398A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS399the atoms involved in each of the contacts you wish to calculate=83,2698 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=0.5619409680366516} WEIGHT399A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS400the atoms involved in each of the contacts you wish to calculate=83,2700 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=0.5459465384483337} WEIGHT400A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS401the atoms involved in each of the contacts you wish to calculate=83,2701 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=0.5026307702064514} WEIGHT401A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS402the atoms involved in each of the contacts you wish to calculate=83,2707 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=0.5471769571304321} WEIGHT402A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS403the atoms involved in each of the contacts you wish to calculate=83,2708 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=0.5455179214477539} WEIGHT403A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS404the atoms involved in each of the contacts you wish to calculate=83,2746 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=0.5585586428642273} WEIGHT404A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS405the atoms involved in each of the contacts you wish to calculate=83,2748 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=0.40934649109840393} WEIGHT405A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS406the atoms involved in each of the contacts you wish to calculate=83,2751 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=0.36932888627052307} WEIGHT406A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS407the atoms involved in each of the contacts you wish to calculate=83,2754 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=0.3862769305706024} WEIGHT407A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS408the atoms involved in each of the contacts you wish to calculate=83,2757 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=0.39055579900741577} WEIGHT408A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS409the atoms involved in each of the contacts you wish to calculate=83,2760 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=0.5269608497619629} WEIGHT409A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS410the atoms involved in each of the contacts you wish to calculate=84,142 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=0.5181082487106323} WEIGHT410A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS411the atoms involved in each of the contacts you wish to calculate=84,145 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=0.46642592549324036} WEIGHT411A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS412the atoms involved in each of the contacts you wish to calculate=84,148 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=0.5524062514305115} WEIGHT412A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS413the atoms involved in each of the contacts you wish to calculate=84,149 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=0.5918530821800232} WEIGHT413A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS414the atoms involved in each of the contacts you wish to calculate=84,586 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=0.5245013236999512} WEIGHT414A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS415the atoms involved in each of the contacts you wish to calculate=84,588 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=0.3791157007217407} WEIGHT415A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS416the atoms involved in each of the contacts you wish to calculate=84,592 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=0.5582054853439331} WEIGHT416A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS417the atoms involved in each of the contacts you wish to calculate=84,2636 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=0.5904563665390015} WEIGHT417A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS418the atoms involved in each of the contacts you wish to calculate=84,2672 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=0.5712877511978149} WEIGHT418A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS419the atoms involved in each of the contacts you wish to calculate=84,2683 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=0.4928593337535858} WEIGHT419A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS420the atoms involved in each of the contacts you wish to calculate=84,2684 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=0.47303307056427} WEIGHT420A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS421the atoms involved in each of the contacts you wish to calculate=84,2685 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=0.4656953513622284} WEIGHT421A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS422the atoms involved in each of the contacts you wish to calculate=84,2687 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=0.41042545437812805} WEIGHT422A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS423the atoms involved in each of the contacts you wish to calculate=84,2689 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=0.45511651039123535} WEIGHT423A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS424the atoms involved in each of the contacts you wish to calculate=84,2692 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=0.38046836853027344} WEIGHT424A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS425the atoms involved in each of the contacts you wish to calculate=84,2695 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=0.4625239968299866} WEIGHT425A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS426the atoms involved in each of the contacts you wish to calculate=84,2698 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=0.45681431889533997} WEIGHT426A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS427the atoms involved in each of the contacts you wish to calculate=84,2700 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=0.42154377698898315} WEIGHT427A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS428the atoms involved in each of the contacts you wish to calculate=84,2701 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=0.37417587637901306} WEIGHT428A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS429the atoms involved in each of the contacts you wish to calculate=84,2704 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=0.490617960691452} WEIGHT429A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS430the atoms involved in each of the contacts you wish to calculate=84,2707 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=0.49735379219055176} WEIGHT430A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS431the atoms involved in each of the contacts you wish to calculate=84,2708 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=0.4686724543571472} WEIGHT431A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS432the atoms involved in each of the contacts you wish to calculate=84,2744 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=0.545315682888031} WEIGHT432A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS433the atoms involved in each of the contacts you wish to calculate=84,2746 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=0.486417680978775} WEIGHT433A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS434the atoms involved in each of the contacts you wish to calculate=84,2748 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=0.342935711145401} WEIGHT434A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS435the atoms involved in each of the contacts you wish to calculate=84,2751 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=0.35619962215423584} WEIGHT435A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS436the atoms involved in each of the contacts you wish to calculate=84,2754 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=0.3954367935657501} WEIGHT436A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS437the atoms involved in each of the contacts you wish to calculate=84,2757 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=0.4483729898929596} WEIGHT437A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS438the atoms involved in each of the contacts you wish to calculate=84,2760 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=0.5877571702003479} WEIGHT438A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS439the atoms involved in each of the contacts you wish to calculate=84,2764 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=0.5380826592445374} WEIGHT439A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS440the atoms involved in each of the contacts you wish to calculate=84,2765 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=0.5884220600128174} WEIGHT440A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS441the atoms involved in each of the contacts you wish to calculate=84,2766 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=0.5860067009925842} WEIGHT441A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS442the atoms involved in each of the contacts you wish to calculate=86,138 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=0.5727925896644592} WEIGHT442A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS443the atoms involved in each of the contacts you wish to calculate=86,140 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=0.534735918045044} WEIGHT443A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS444the atoms involved in each of the contacts you wish to calculate=86,142 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=0.39604830741882324} WEIGHT444A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS445the atoms involved in each of the contacts you wish to calculate=86,145 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=0.3724907636642456} WEIGHT445A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS446the atoms involved in each of the contacts you wish to calculate=86,148 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=0.5237529277801514} WEIGHT446A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS447the atoms involved in each of the contacts you wish to calculate=86,149 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=0.5737337470054626} WEIGHT447A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS448the atoms involved in each of the contacts you wish to calculate=86,588 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=0.49542808532714844} WEIGHT448A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS449the atoms involved in each of the contacts you wish to calculate=86,2672 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=0.5181207060813904} WEIGHT449A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS450the atoms involved in each of the contacts you wish to calculate=86,2683 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=0.5538716316223145} WEIGHT450A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS451the atoms involved in each of the contacts you wish to calculate=86,2684 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=0.5540555715560913} WEIGHT451A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS452the atoms involved in each of the contacts you wish to calculate=86,2685 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=0.555828869342804} WEIGHT452A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS453the atoms involved in each of the contacts you wish to calculate=86,2687 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=0.5610818266868591} WEIGHT453A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS454the atoms involved in each of the contacts you wish to calculate=86,2692 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=0.5742668509483337} WEIGHT454A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS455the atoms involved in each of the contacts you wish to calculate=86,2748 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=0.4665903151035309} WEIGHT455A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS456the atoms involved in each of the contacts you wish to calculate=86,2751 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=0.3981982469558716} WEIGHT456A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS457the atoms involved in each of the contacts you wish to calculate=86,2754 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=0.3600442409515381} WEIGHT457A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS458the atoms involved in each of the contacts you wish to calculate=86,2757 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=0.33039960265159607} WEIGHT458A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS459the atoms involved in each of the contacts you wish to calculate=86,2760 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=0.4682369530200958} WEIGHT459A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS460the atoms involved in each of the contacts you wish to calculate=88,138 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=0.5392485857009888} WEIGHT460A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS461the atoms involved in each of the contacts you wish to calculate=88,140 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=0.5357913374900818} WEIGHT461A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS462the atoms involved in each of the contacts you wish to calculate=88,142 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=0.4214003086090088} WEIGHT462A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS463the atoms involved in each of the contacts you wish to calculate=88,145 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=0.39427056908607483} WEIGHT463A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS464the atoms involved in each of the contacts you wish to calculate=88,148 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=0.5583431124687195} WEIGHT464A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS465the atoms involved in each of the contacts you wish to calculate=88,149 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=0.5872716903686523} WEIGHT465A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS466the atoms involved in each of the contacts you wish to calculate=88,2636 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=0.5896012783050537} WEIGHT466A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS467the atoms involved in each of the contacts you wish to calculate=88,2670 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=0.589590311050415} WEIGHT467A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS468the atoms involved in each of the contacts you wish to calculate=88,2672 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=0.47330838441848755} WEIGHT468A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS469the atoms involved in each of the contacts you wish to calculate=88,2675 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=0.5550546646118164} WEIGHT469A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS470the atoms involved in each of the contacts you wish to calculate=88,2683 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=0.5727057456970215} WEIGHT470A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS471the atoms involved in each of the contacts you wish to calculate=88,2684 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=0.5929535031318665} WEIGHT471A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS472the atoms involved in each of the contacts you wish to calculate=88,2685 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=0.5825098752975464} WEIGHT472A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS473the atoms involved in each of the contacts you wish to calculate=88,2748 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=0.5659726858139038} WEIGHT473A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS474the atoms involved in each of the contacts you wish to calculate=88,2751 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=0.46849381923675537} WEIGHT474A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS475the atoms involved in each of the contacts you wish to calculate=88,2754 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=0.4199410080909729} WEIGHT475A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS476the atoms involved in each of the contacts you wish to calculate=88,2757 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=0.33747634291648865} WEIGHT476A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS477the atoms involved in each of the contacts you wish to calculate=88,2760 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=0.44873398542404175} WEIGHT477A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS478the atoms involved in each of the contacts you wish to calculate=90,138 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=0.40416571497917175} WEIGHT478A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS479the atoms involved in each of the contacts you wish to calculate=90,140 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=0.47823941707611084} WEIGHT479A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS480the atoms involved in each of the contacts you wish to calculate=90,142 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=0.44766372442245483} WEIGHT480A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS481the atoms involved in each of the contacts you wish to calculate=90,145 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=0.43440765142440796} WEIGHT481A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS482the atoms involved in each of the contacts you wish to calculate=90,148 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=0.5890856385231018} WEIGHT482A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS483the atoms involved in each of the contacts you wish to calculate=90,153 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=0.5648121237754822} WEIGHT483A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS484the atoms involved in each of the contacts you wish to calculate=90,155 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=0.5646530389785767} WEIGHT484A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS485the atoms involved in each of the contacts you wish to calculate=90,2627 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=0.5270809531211853} WEIGHT485A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS486the atoms involved in each of the contacts you wish to calculate=90,2757 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=0.5822690725326538} WEIGHT486A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS487the atoms involved in each of the contacts you wish to calculate=91,138 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=0.2861013412475586} WEIGHT487A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS488the atoms involved in each of the contacts you wish to calculate=91,140 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=0.36595481634140015} WEIGHT488A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS489the atoms involved in each of the contacts you wish to calculate=91,142 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=0.3498125374317169} WEIGHT489A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS490the atoms involved in each of the contacts you wish to calculate=91,145 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=0.33623504638671875} WEIGHT490A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS491the atoms involved in each of the contacts you wish to calculate=91,148 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=0.4832639992237091} WEIGHT491A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS492the atoms involved in each of the contacts you wish to calculate=91,149 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=0.5099128484725952} WEIGHT492A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS493the atoms involved in each of the contacts you wish to calculate=91,153 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=0.4668669104576111} WEIGHT493A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS494the atoms involved in each of the contacts you wish to calculate=91,154 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=0.5712242126464844} WEIGHT494A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS495the atoms involved in each of the contacts you wish to calculate=91,155 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=0.4810165762901306} WEIGHT495A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS496the atoms involved in each of the contacts you wish to calculate=91,2627 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=0.5493146777153015} WEIGHT496A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS497the atoms involved in each of the contacts you wish to calculate=92,155 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=0.5661045908927917} WEIGHT497A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS498the atoms involved in each of the contacts you wish to calculate=92,174 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=0.5921573638916016} WEIGHT498A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS499the atoms involved in each of the contacts you wish to calculate=92,2757 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=0.5667011141777039} WEIGHT499A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS500the atoms involved in each of the contacts you wish to calculate=94,155 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=0.45887503027915955} WEIGHT500A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS501the atoms involved in each of the contacts you wish to calculate=94,157 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=0.5494769811630249} WEIGHT501A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS502the atoms involved in each of the contacts you wish to calculate=94,159 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=0.5092144012451172} WEIGHT502A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS503the atoms involved in each of the contacts you wish to calculate=94,168 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=0.5679211616516113} WEIGHT503A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS504the atoms involved in each of the contacts you wish to calculate=94,170 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=0.5132041573524475} WEIGHT504A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS505the atoms involved in each of the contacts you wish to calculate=94,171 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=0.5216459631919861} WEIGHT505A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS506the atoms involved in each of the contacts you wish to calculate=94,174 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=0.47216758131980896} WEIGHT506A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS507the atoms involved in each of the contacts you wish to calculate=96,155 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=0.5432514548301697} WEIGHT507A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS508the atoms involved in each of the contacts you wish to calculate=96,159 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=0.5297747254371643} WEIGHT508A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS509the atoms involved in each of the contacts you wish to calculate=96,168 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=0.5091822743415833} WEIGHT509A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS510the atoms involved in each of the contacts you wish to calculate=96,170 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=0.43667906522750854} WEIGHT510A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS511the atoms involved in each of the contacts you wish to calculate=96,171 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=0.4618470370769501} WEIGHT511A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS512the atoms involved in each of the contacts you wish to calculate=96,174 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=0.3635963797569275} WEIGHT512A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS513the atoms involved in each of the contacts you wish to calculate=96,2757 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=0.5959517955780029} WEIGHT513A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS514the atoms involved in each of the contacts you wish to calculate=99,168 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=0.5477171540260315} WEIGHT514A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS515the atoms involved in each of the contacts you wish to calculate=99,170 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=0.4438354969024658} WEIGHT515A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS516the atoms involved in each of the contacts you wish to calculate=99,171 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=0.44028180837631226} WEIGHT516A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS517the atoms involved in each of the contacts you wish to calculate=99,174 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=0.36500120162963867} WEIGHT517A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS518the atoms involved in each of the contacts you wish to calculate=99,2754 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=0.5956257581710815} WEIGHT518A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS519the atoms involved in each of the contacts you wish to calculate=99,2757 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=0.47336891293525696} WEIGHT519A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS520the atoms involved in each of the contacts you wish to calculate=99,2760 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=0.4808410704135895} WEIGHT520A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS521the atoms involved in each of the contacts you wish to calculate=102,159 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=0.5913870930671692} WEIGHT521A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS522the atoms involved in each of the contacts you wish to calculate=102,165 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=0.5699501037597656} WEIGHT522A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS523the atoms involved in each of the contacts you wish to calculate=102,168 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=0.4735928773880005} WEIGHT523A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS524the atoms involved in each of the contacts you wish to calculate=102,170 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=0.3542570471763611} WEIGHT524A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS525the atoms involved in each of the contacts you wish to calculate=102,171 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=0.315775603055954} WEIGHT525A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS526the atoms involved in each of the contacts you wish to calculate=102,174 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=0.30804234743118286} WEIGHT526A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS527the atoms involved in each of the contacts you wish to calculate=102,2754 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=0.5231195092201233} WEIGHT527A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS528the atoms involved in each of the contacts you wish to calculate=102,2757 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=0.4302116334438324} WEIGHT528A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS529the atoms involved in each of the contacts you wish to calculate=102,2760 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=0.4583602845668793} WEIGHT529A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS530the atoms involved in each of the contacts you wish to calculate=103,155 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=0.5466897487640381} WEIGHT530A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS531the atoms involved in each of the contacts you wish to calculate=103,159 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=0.5693301558494568} WEIGHT531A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS532the atoms involved in each of the contacts you wish to calculate=103,165 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=0.5539757013320923} WEIGHT532A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS533the atoms involved in each of the contacts you wish to calculate=103,168 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=0.4865944981575012} WEIGHT533A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS534the atoms involved in each of the contacts you wish to calculate=103,170 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=0.3769615590572357} WEIGHT534A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS535the atoms involved in each of the contacts you wish to calculate=103,171 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=0.3029952049255371} WEIGHT535A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS536the atoms involved in each of the contacts you wish to calculate=103,174 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=0.3736926317214966} WEIGHT536A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS537the atoms involved in each of the contacts you wish to calculate=103,2754 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=0.46452322602272034} WEIGHT537A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS538the atoms involved in each of the contacts you wish to calculate=103,2757 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=0.39308270812034607} WEIGHT538A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS539the atoms involved in each of the contacts you wish to calculate=103,2760 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=0.46013274788856506} WEIGHT539A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS540the atoms involved in each of the contacts you wish to calculate=104,165 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=0.5622785687446594} WEIGHT540A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS541the atoms involved in each of the contacts you wish to calculate=104,168 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=0.45415884256362915} WEIGHT541A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS542the atoms involved in each of the contacts you wish to calculate=104,170 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=0.3222576379776001} WEIGHT542A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS543the atoms involved in each of the contacts you wish to calculate=104,171 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=0.28458070755004883} WEIGHT543A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS544the atoms involved in each of the contacts you wish to calculate=104,174 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=0.2697333097457886} WEIGHT544A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS545the atoms involved in each of the contacts you wish to calculate=104,2754 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=0.5503525137901306} WEIGHT545A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS546the atoms involved in each of the contacts you wish to calculate=104,2757 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=0.4742699861526489} WEIGHT546A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS547the atoms involved in each of the contacts you wish to calculate=104,2760 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=0.48077648878097534} WEIGHT547A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS548the atoms involved in each of the contacts you wish to calculate=105,155 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=0.40816161036491394} WEIGHT548A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS549the atoms involved in each of the contacts you wish to calculate=105,157 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=0.49249812960624695} WEIGHT549A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS550the atoms involved in each of the contacts you wish to calculate=105,159 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=0.4517176151275635} WEIGHT550A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS551the atoms involved in each of the contacts you wish to calculate=105,162 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=0.5848396420478821} WEIGHT551A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS552the atoms involved in each of the contacts you wish to calculate=105,168 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=0.5755900144577026} WEIGHT552A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS553the atoms involved in each of the contacts you wish to calculate=105,170 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=0.5551342964172363} WEIGHT553A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS554the atoms involved in each of the contacts you wish to calculate=105,171 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=0.5881785154342651} WEIGHT554A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS555the atoms involved in each of the contacts you wish to calculate=105,174 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=0.52174311876297} WEIGHT555A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS556the atoms involved in each of the contacts you wish to calculate=105,177 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=0.5969133973121643} WEIGHT556A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS557the atoms involved in each of the contacts you wish to calculate=105,178 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=0.5892688035964966} WEIGHT557A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS558the atoms involved in each of the contacts you wish to calculate=106,155 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=0.3067578375339508} WEIGHT558A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS559the atoms involved in each of the contacts you wish to calculate=106,157 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=0.37785062193870544} WEIGHT559A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS560the atoms involved in each of the contacts you wish to calculate=106,159 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=0.3401607871055603} WEIGHT560A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS561the atoms involved in each of the contacts you wish to calculate=106,162 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=0.48088890314102173} WEIGHT561A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS562the atoms involved in each of the contacts you wish to calculate=106,165 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=0.5432841777801514} WEIGHT562A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS563the atoms involved in each of the contacts you wish to calculate=106,168 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=0.510678231716156} WEIGHT563A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS564the atoms involved in each of the contacts you wish to calculate=106,170 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=0.5157387852668762} WEIGHT564A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS565the atoms involved in each of the contacts you wish to calculate=106,171 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=0.555491030216217} WEIGHT565A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS566the atoms involved in each of the contacts you wish to calculate=106,174 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=0.50669926404953} WEIGHT566A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS567the atoms involved in each of the contacts you wish to calculate=106,177 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=0.4765022099018097} WEIGHT567A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS568the atoms involved in each of the contacts you wish to calculate=106,178 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=0.4677118957042694} WEIGHT568A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS569the atoms involved in each of the contacts you wish to calculate=106,179 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=0.5945799350738525} WEIGHT569A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS570the atoms involved in each of the contacts you wish to calculate=107,2489 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=0.5497939586639404} WEIGHT570A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS571the atoms involved in each of the contacts you wish to calculate=107,2491 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=0.595111072063446} WEIGHT571A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS572the atoms involved in each of the contacts you wish to calculate=109,2468 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=0.5939940214157104} WEIGHT572A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS573the atoms involved in each of the contacts you wish to calculate=109,2472 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=0.46326780319213867} WEIGHT573A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS574the atoms involved in each of the contacts you wish to calculate=109,2487 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=0.5697310566902161} WEIGHT574A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS575the atoms involved in each of the contacts you wish to calculate=109,2489 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=0.4655928611755371} WEIGHT575A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS576the atoms involved in each of the contacts you wish to calculate=109,2491 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=0.5268895626068115} WEIGHT576A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS577the atoms involved in each of the contacts you wish to calculate=111,2468 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=0.5594031810760498} WEIGHT577A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS578the atoms involved in each of the contacts you wish to calculate=111,2472 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=0.4284272789955139} WEIGHT578A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS579the atoms involved in each of the contacts you wish to calculate=111,2487 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=0.5135896801948547} WEIGHT579A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS580the atoms involved in each of the contacts you wish to calculate=111,2489 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=0.3886050283908844} WEIGHT580A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS581the atoms involved in each of the contacts you wish to calculate=111,2491 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=0.4210628569126129} WEIGHT581A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS582the atoms involved in each of the contacts you wish to calculate=111,2493 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=0.5593695044517517} WEIGHT582A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS583the atoms involved in each of the contacts you wish to calculate=114,2466 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=0.5161994099617004} WEIGHT583A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS584the atoms involved in each of the contacts you wish to calculate=114,2468 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=0.46580779552459717} WEIGHT584A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS585the atoms involved in each of the contacts you wish to calculate=114,2469 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=0.5687714219093323} WEIGHT585A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS586the atoms involved in each of the contacts you wish to calculate=114,2472 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=0.33818772435188293} WEIGHT586A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS587the atoms involved in each of the contacts you wish to calculate=114,2487 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=0.5110100507736206} WEIGHT587A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS588the atoms involved in each of the contacts you wish to calculate=114,2489 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=0.39540964365005493} WEIGHT588A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS589the atoms involved in each of the contacts you wish to calculate=114,2491 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=0.4363037049770355} WEIGHT589A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS590the atoms involved in each of the contacts you wish to calculate=114,2493 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=0.5742639303207397} WEIGHT590A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS591the atoms involved in each of the contacts you wish to calculate=115,2457 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=0.5787242650985718} WEIGHT591A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS592the atoms involved in each of the contacts you wish to calculate=115,2460 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=0.5918317437171936} WEIGHT592A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS593the atoms involved in each of the contacts you wish to calculate=115,2463 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=0.5619649887084961} WEIGHT593A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS594the atoms involved in each of the contacts you wish to calculate=115,2466 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=0.42379793524742126} WEIGHT594A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS595the atoms involved in each of the contacts you wish to calculate=115,2468 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=0.39985743165016174} WEIGHT595A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS596the atoms involved in each of the contacts you wish to calculate=115,2469 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=0.5197632908821106} WEIGHT596A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS597the atoms involved in each of the contacts you wish to calculate=115,2472 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=0.288034588098526} WEIGHT597A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS598the atoms involved in each of the contacts you wish to calculate=115,2484 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=0.5783767104148865} WEIGHT598A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS599the atoms involved in each of the contacts you wish to calculate=115,2485 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=0.5556961297988892} WEIGHT599A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS600the atoms involved in each of the contacts you wish to calculate=115,2487 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=0.4485577642917633} WEIGHT600A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS601the atoms involved in each of the contacts you wish to calculate=115,2489 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=0.3388477861881256} WEIGHT601A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS602the atoms involved in each of the contacts you wish to calculate=115,2491 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=0.3703051507472992} WEIGHT602A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS603the atoms involved in each of the contacts you wish to calculate=115,2493 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=0.4994155466556549} WEIGHT603A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS604the atoms involved in each of the contacts you wish to calculate=116,2466 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=0.5568642020225525} WEIGHT604A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS605the atoms involved in each of the contacts you wish to calculate=116,2468 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=0.501131534576416} WEIGHT605A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS606the atoms involved in each of the contacts you wish to calculate=116,2469 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=0.5935696959495544} WEIGHT606A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS607the atoms involved in each of the contacts you wish to calculate=116,2472 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=0.3788784146308899} WEIGHT607A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS608the atoms involved in each of the contacts you wish to calculate=116,2489 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=0.5107741951942444} WEIGHT608A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS609the atoms involved in each of the contacts you wish to calculate=116,2491 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=0.5592229962348938} WEIGHT609A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS610the atoms involved in each of the contacts you wish to calculate=117,2468 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=0.5057409405708313} WEIGHT610A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS611the atoms involved in each of the contacts you wish to calculate=117,2469 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=0.5475164651870728} WEIGHT611A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS612the atoms involved in each of the contacts you wish to calculate=117,2472 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=0.3864324688911438} WEIGHT612A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS613the atoms involved in each of the contacts you wish to calculate=117,2487 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=0.4913192689418793} WEIGHT613A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS614the atoms involved in each of the contacts you wish to calculate=117,2489 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=0.4177892804145813} WEIGHT614A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS615the atoms involved in each of the contacts you wish to calculate=117,2491 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=0.5136339664459229} WEIGHT615A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS616the atoms involved in each of the contacts you wish to calculate=118,2466 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=0.5529361963272095} WEIGHT616A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS617the atoms involved in each of the contacts you wish to calculate=118,2468 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=0.4345676004886627} WEIGHT617A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS618the atoms involved in each of the contacts you wish to calculate=118,2469 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=0.4587344825267792} WEIGHT618A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS619the atoms involved in each of the contacts you wish to calculate=118,2472 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=0.3258269727230072} WEIGHT619A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS620the atoms involved in each of the contacts you wish to calculate=118,2487 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=0.5057229399681091} WEIGHT620A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS621the atoms involved in each of the contacts you wish to calculate=118,2489 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=0.45390406250953674} WEIGHT621A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS622the atoms involved in each of the contacts you wish to calculate=118,2491 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=0.5665836930274963} WEIGHT622A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS623the atoms involved in each of the contacts you wish to calculate=119,2468 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=0.5575348734855652} WEIGHT623A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS624the atoms involved in each of the contacts you wish to calculate=119,2469 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=0.5859995484352112} WEIGHT624A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS625the atoms involved in each of the contacts you wish to calculate=119,2472 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=0.45294293761253357} WEIGHT625A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS626the atoms involved in each of the contacts you wish to calculate=119,2485 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=0.5917377471923828} WEIGHT626A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS627the atoms involved in each of the contacts you wish to calculate=119,2487 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=0.46437665820121765} WEIGHT627A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS628the atoms involved in each of the contacts you wish to calculate=119,2489 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=0.4096108376979828} WEIGHT628A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS629the atoms involved in each of the contacts you wish to calculate=119,2491 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=0.5075125694274902} WEIGHT629A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS630the atoms involved in each of the contacts you wish to calculate=121,2468 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=0.5554844737052917} WEIGHT630A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS631the atoms involved in each of the contacts you wish to calculate=121,2469 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=0.5543693900108337} WEIGHT631A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS632the atoms involved in each of the contacts you wish to calculate=121,2472 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=0.4779050052165985} WEIGHT632A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS633the atoms involved in each of the contacts you wish to calculate=121,2485 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=0.5731696486473083} WEIGHT633A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS634the atoms involved in each of the contacts you wish to calculate=121,2487 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=0.4545432925224304} WEIGHT634A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS635the atoms involved in each of the contacts you wish to calculate=121,2489 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=0.4435187876224518} WEIGHT635A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS636the atoms involved in each of the contacts you wish to calculate=121,2491 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=0.5580437183380127} WEIGHT636A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS637the atoms involved in each of the contacts you wish to calculate=123,2472 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=0.548585832118988} WEIGHT637A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS638the atoms involved in each of the contacts you wish to calculate=123,2484 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=0.5859228372573853} WEIGHT638A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS639the atoms involved in each of the contacts you wish to calculate=123,2485 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=0.5053396224975586} WEIGHT639A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS640the atoms involved in each of the contacts you wish to calculate=123,2487 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=0.412972629070282} WEIGHT640A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS641the atoms involved in each of the contacts you wish to calculate=123,2489 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=0.42444077134132385} WEIGHT641A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS642the atoms involved in each of the contacts you wish to calculate=123,2491 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=0.5252939462661743} WEIGHT642A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS643the atoms involved in each of the contacts you wish to calculate=123,2493 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=0.5974696278572083} WEIGHT643A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS644the atoms involved in each of the contacts you wish to calculate=123,2627 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=0.5731010437011719} WEIGHT644A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS645the atoms involved in each of the contacts you wish to calculate=126,630 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=0.5353927612304688} WEIGHT645A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS646the atoms involved in each of the contacts you wish to calculate=126,633 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=0.5973686575889587} WEIGHT646A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS647the atoms involved in each of the contacts you wish to calculate=126,639 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=0.517166256904602} WEIGHT647A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS648the atoms involved in each of the contacts you wish to calculate=126,646 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=0.5945161581039429} WEIGHT648A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS649the atoms involved in each of the contacts you wish to calculate=126,647 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=0.5499789118766785} WEIGHT649A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS650the atoms involved in each of the contacts you wish to calculate=126,705 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=0.4765685796737671} WEIGHT650A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS651the atoms involved in each of the contacts you wish to calculate=126,2485 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=0.5263640284538269} WEIGHT651A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS652the atoms involved in each of the contacts you wish to calculate=126,2487 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=0.4592922031879425} WEIGHT652A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS653the atoms involved in each of the contacts you wish to calculate=126,2489 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=0.5120242238044739} WEIGHT653A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS654the atoms involved in each of the contacts you wish to calculate=128,630 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=0.5649122595787048} WEIGHT654A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS655the atoms involved in each of the contacts you wish to calculate=128,636 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=0.5940715670585632} WEIGHT655A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS656the atoms involved in each of the contacts you wish to calculate=128,639 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=0.4613213837146759} WEIGHT656A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS657the atoms involved in each of the contacts you wish to calculate=128,642 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=0.5137355327606201} WEIGHT657A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS658the atoms involved in each of the contacts you wish to calculate=128,647 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=0.5830925703048706} WEIGHT658A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS659the atoms involved in each of the contacts you wish to calculate=128,705 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=0.5121579766273499} WEIGHT659A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS660the atoms involved in each of the contacts you wish to calculate=128,2468 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=0.5553255081176758} WEIGHT660A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS661the atoms involved in each of the contacts you wish to calculate=128,2469 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=0.5142049193382263} WEIGHT661A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS662the atoms involved in each of the contacts you wish to calculate=128,2472 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=0.5488356947898865} WEIGHT662A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS663the atoms involved in each of the contacts you wish to calculate=128,2484 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=0.5893114805221558} WEIGHT663A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS664the atoms involved in each of the contacts you wish to calculate=128,2485 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=0.47012579441070557} WEIGHT664A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS665the atoms involved in each of the contacts you wish to calculate=128,2487 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=0.40698471665382385} WEIGHT665A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS666the atoms involved in each of the contacts you wish to calculate=128,2489 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=0.49016961455345154} WEIGHT666A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS667the atoms involved in each of the contacts you wish to calculate=132,630 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=0.5928357243537903} WEIGHT667A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS668the atoms involved in each of the contacts you wish to calculate=132,639 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=0.5942855477333069} WEIGHT668A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS669the atoms involved in each of the contacts you wish to calculate=132,646 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=0.5856091380119324} WEIGHT669A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS670the atoms involved in each of the contacts you wish to calculate=132,647 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=0.5205259919166565} WEIGHT670A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS671the atoms involved in each of the contacts you wish to calculate=132,697 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=0.5988277792930603} WEIGHT671A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS672the atoms involved in each of the contacts you wish to calculate=132,699 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=0.48210594058036804} WEIGHT672A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS673the atoms involved in each of the contacts you wish to calculate=132,701 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=0.47332215309143066} WEIGHT673A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS674the atoms involved in each of the contacts you wish to calculate=132,705 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=0.3725535571575165} WEIGHT674A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS675the atoms involved in each of the contacts you wish to calculate=132,2484 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=0.5732763409614563} WEIGHT675A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS676the atoms involved in each of the contacts you wish to calculate=132,2485 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=0.4970130920410156} WEIGHT676A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS677the atoms involved in each of the contacts you wish to calculate=132,2487 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=0.4672197699546814} WEIGHT677A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS678the atoms involved in each of the contacts you wish to calculate=132,2489 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=0.5294206142425537} WEIGHT678A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS679the atoms involved in each of the contacts you wish to calculate=132,2625 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=0.5722167491912842} WEIGHT679A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS680the atoms involved in each of the contacts you wish to calculate=132,2627 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=0.5123468041419983} WEIGHT680A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS681the atoms involved in each of the contacts you wish to calculate=132,2631 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=0.5535756945610046} WEIGHT681A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS682the atoms involved in each of the contacts you wish to calculate=136,630 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=0.5946613550186157} WEIGHT682A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS683the atoms involved in each of the contacts you wish to calculate=136,2472 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=0.581919252872467} WEIGHT683A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS684the atoms involved in each of the contacts you wish to calculate=136,2487 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=0.5984298586845398} WEIGHT684A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS685the atoms involved in each of the contacts you wish to calculate=136,2489 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=0.5946473479270935} WEIGHT685A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS686the atoms involved in each of the contacts you wish to calculate=137,630 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=0.529457151889801} WEIGHT686A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS687the atoms involved in each of the contacts you wish to calculate=137,633 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=0.5152269005775452} WEIGHT687A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS688the atoms involved in each of the contacts you wish to calculate=137,636 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=0.5650524497032166} WEIGHT688A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS689the atoms involved in each of the contacts you wish to calculate=137,639 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=0.5070311427116394} WEIGHT689A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS690the atoms involved in each of the contacts you wish to calculate=140,584 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=0.595639169216156} WEIGHT690A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS691the atoms involved in each of the contacts you wish to calculate=140,588 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=0.5598883032798767} WEIGHT691A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS692the atoms involved in each of the contacts you wish to calculate=140,592 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=0.5710936188697815} WEIGHT692A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS693the atoms involved in each of the contacts you wish to calculate=140,630 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=0.5750530958175659} WEIGHT693A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS694the atoms involved in each of the contacts you wish to calculate=140,633 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=0.5933157801628113} WEIGHT694A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS695the atoms involved in each of the contacts you wish to calculate=142,584 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=0.5324715971946716} WEIGHT695A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS696the atoms involved in each of the contacts you wish to calculate=142,586 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=0.5091816782951355} WEIGHT696A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS697the atoms involved in each of the contacts you wish to calculate=142,588 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=0.4397691488265991} WEIGHT697A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS698the atoms involved in each of the contacts you wish to calculate=142,592 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=0.48562726378440857} WEIGHT698A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS699the atoms involved in each of the contacts you wish to calculate=142,595 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=0.5766509175300598} WEIGHT699A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS700the atoms involved in each of the contacts you wish to calculate=145,584 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=0.5272219777107239} WEIGHT700A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS701the atoms involved in each of the contacts you wish to calculate=145,586 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=0.5133622288703918} WEIGHT701A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS702the atoms involved in each of the contacts you wish to calculate=145,588 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=0.41722142696380615} WEIGHT702A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS703the atoms involved in each of the contacts you wish to calculate=145,592 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=0.5308302640914917} WEIGHT703A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS704the atoms involved in each of the contacts you wish to calculate=145,594 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=0.5641929507255554} WEIGHT704A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS705the atoms involved in each of the contacts you wish to calculate=145,595 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=0.5086303949356079} WEIGHT705A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS706the atoms involved in each of the contacts you wish to calculate=145,630 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=0.548515260219574} WEIGHT706A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS707the atoms involved in each of the contacts you wish to calculate=145,652 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=0.5973715782165527} WEIGHT707A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS708the atoms involved in each of the contacts you wish to calculate=148,580 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=0.5916053652763367} WEIGHT708A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS709the atoms involved in each of the contacts you wish to calculate=148,581 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=0.5268579721450806} WEIGHT709A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS710the atoms involved in each of the contacts you wish to calculate=148,582 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=0.5635003447532654} WEIGHT710A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS711the atoms involved in each of the contacts you wish to calculate=148,584 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=0.4417250156402588} WEIGHT711A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS712the atoms involved in each of the contacts you wish to calculate=148,586 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=0.47522252798080444} WEIGHT712A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS713the atoms involved in each of the contacts you wish to calculate=148,588 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=0.40428638458251953} WEIGHT713A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS714the atoms involved in each of the contacts you wish to calculate=148,592 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=0.5273732542991638} WEIGHT714A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS715the atoms involved in each of the contacts you wish to calculate=148,594 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=0.44839680194854736} WEIGHT715A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS716the atoms involved in each of the contacts you wish to calculate=148,595 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=0.369035005569458} WEIGHT716A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS717the atoms involved in each of the contacts you wish to calculate=148,596 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=0.574969470500946} WEIGHT717A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS718the atoms involved in each of the contacts you wish to calculate=148,626 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=0.5440005660057068} WEIGHT718A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS719the atoms involved in each of the contacts you wish to calculate=148,628 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=0.46783921122550964} WEIGHT719A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS720the atoms involved in each of the contacts you wish to calculate=148,630 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=0.37914806604385376} WEIGHT720A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS721the atoms involved in each of the contacts you wish to calculate=148,633 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=0.4787598252296448} WEIGHT721A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS722the atoms involved in each of the contacts you wish to calculate=148,639 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=0.5918183922767639} WEIGHT722A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS723the atoms involved in each of the contacts you wish to calculate=148,646 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=0.4437062442302704} WEIGHT723A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS724the atoms involved in each of the contacts you wish to calculate=148,647 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=0.49258583784103394} WEIGHT724A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS725the atoms involved in each of the contacts you wish to calculate=148,648 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=0.43210315704345703} WEIGHT725A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS726the atoms involved in each of the contacts you wish to calculate=148,650 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=0.4671936631202698} WEIGHT726A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS727the atoms involved in each of the contacts you wish to calculate=148,652 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=0.4752376675605774} WEIGHT727A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS728the atoms involved in each of the contacts you wish to calculate=148,655 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=0.5735578536987305} WEIGHT728A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS729the atoms involved in each of the contacts you wish to calculate=148,656 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=0.5656972527503967} WEIGHT729A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS730the atoms involved in each of the contacts you wish to calculate=148,705 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=0.5874531269073486} WEIGHT730A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS731the atoms involved in each of the contacts you wish to calculate=149,584 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=0.573193371295929} WEIGHT731A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS732the atoms involved in each of the contacts you wish to calculate=149,588 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=0.5182458758354187} WEIGHT732A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS733the atoms involved in each of the contacts you wish to calculate=149,594 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=0.5363684296607971} WEIGHT733A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS734the atoms involved in each of the contacts you wish to calculate=149,595 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=0.43141162395477295} WEIGHT734A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS735the atoms involved in each of the contacts you wish to calculate=149,626 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=0.5707555413246155} WEIGHT735A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS736the atoms involved in each of the contacts you wish to calculate=149,628 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=0.47160837054252625} WEIGHT736A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS737the atoms involved in each of the contacts you wish to calculate=149,630 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=0.4259277284145355} WEIGHT737A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS738the atoms involved in each of the contacts you wish to calculate=149,633 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=0.554869532585144} WEIGHT738A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS739the atoms involved in each of the contacts you wish to calculate=149,646 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=0.3942033648490906} WEIGHT739A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS740the atoms involved in each of the contacts you wish to calculate=149,647 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=0.40702053904533386} WEIGHT740A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS741the atoms involved in each of the contacts you wish to calculate=149,648 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=0.37880098819732666} WEIGHT741A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS742the atoms involved in each of the contacts you wish to calculate=149,650 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=0.3668091595172882} WEIGHT742A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS743the atoms involved in each of the contacts you wish to calculate=149,652 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=0.39344629645347595} WEIGHT743A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS744the atoms involved in each of the contacts you wish to calculate=149,655 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=0.4652674198150635} WEIGHT744A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS745the atoms involved in each of the contacts you wish to calculate=149,656 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=0.43051859736442566} WEIGHT745A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS746the atoms involved in each of the contacts you wish to calculate=149,658 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=0.5480756759643555} WEIGHT746A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS747the atoms involved in each of the contacts you wish to calculate=149,667 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=0.5046996474266052} WEIGHT747A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS748the atoms involved in each of the contacts you wish to calculate=149,668 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=0.5402522683143616} WEIGHT748A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS749the atoms involved in each of the contacts you wish to calculate=149,699 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=0.5241203308105469} WEIGHT749A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS750the atoms involved in each of the contacts you wish to calculate=149,701 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=0.5877852439880371} WEIGHT750A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS751the atoms involved in each of the contacts you wish to calculate=149,705 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=0.433716356754303} WEIGHT751A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS752the atoms involved in each of the contacts you wish to calculate=149,2625 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=0.5765672326087952} WEIGHT752A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS753the atoms involved in each of the contacts you wish to calculate=149,2627 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=0.593357503414154} WEIGHT753A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS754the atoms involved in each of the contacts you wish to calculate=149,2631 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=0.5957211852073669} WEIGHT754A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS755the atoms involved in each of the contacts you wish to calculate=153,592 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=0.5750492811203003} WEIGHT755A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS756the atoms involved in each of the contacts you wish to calculate=154,581 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=0.5363260507583618} WEIGHT756A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS757the atoms involved in each of the contacts you wish to calculate=154,584 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=0.5684237480163574} WEIGHT757A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS758the atoms involved in each of the contacts you wish to calculate=154,586 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=0.5699453949928284} WEIGHT758A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS759the atoms involved in each of the contacts you wish to calculate=154,588 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=0.578111469745636} WEIGHT759A weight value for a given contact, by default is 1=0.0013157894736842105
ATOMS760the atoms involved in each of the contacts you wish to calculate=154,592 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=0.49099254608154297} WEIGHT760A weight value for a given contact, by default is 1=0.0013157894736842105
LABELa label for the action so that its output can be referenced in the input to other actions=qhThe CONTACTMAP action with label qh calculates the following quantities:
 Quantity   
 Type   
 Description  
qh
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=54,650 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=1.2073395252227783} WEIGHT1A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS2the atoms involved in each of the contacts you wish to calculate=54,652 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=1.2153960466384888} WEIGHT2A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS3the atoms involved in each of the contacts you wish to calculate=54,655 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=1.2032161951065063} WEIGHT3A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS4the atoms involved in each of the contacts you wish to calculate=54,656 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=1.0849343538284302} WEIGHT4A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS5the atoms involved in each of the contacts you wish to calculate=54,658 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=1.0972305536270142} WEIGHT5A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS6the atoms involved in each of the contacts you wish to calculate=54,660 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=1.2276251316070557} WEIGHT6A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS7the atoms involved in each of the contacts you wish to calculate=54,661 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=1.2704747915267944} WEIGHT7A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS8the atoms involved in each of the contacts you wish to calculate=54,663 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=1.3364982604980469} WEIGHT8A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS9the atoms involved in each of the contacts you wish to calculate=54,665 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=1.3214726448059082} WEIGHT9A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS10the atoms involved in each of the contacts you wish to calculate=54,697 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=1.2260346412658691} WEIGHT10A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS11the atoms involved in each of the contacts you wish to calculate=54,699 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=1.0861667394638062} WEIGHT11A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS12the atoms involved in each of the contacts you wish to calculate=54,701 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=1.0051428079605103} WEIGHT12A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS13the atoms involved in each of the contacts you wish to calculate=54,705 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=1.0303683280944824} WEIGHT13A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS14the atoms involved in each of the contacts you wish to calculate=54,2479 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=0.791508674621582} WEIGHT14A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS15the atoms involved in each of the contacts you wish to calculate=54,2481 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=0.7106577754020691} WEIGHT15A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS16the atoms involved in each of the contacts you wish to calculate=54,2484 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=0.6146672368049622} WEIGHT16A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS17the atoms involved in each of the contacts you wish to calculate=54,2485 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=0.6655481457710266} WEIGHT17A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS18the atoms involved in each of the contacts you wish to calculate=54,2487 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=0.6135570406913757} WEIGHT18A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS19the atoms involved in each of the contacts you wish to calculate=54,2489 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=0.5041608810424805} WEIGHT19A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS20the atoms involved in each of the contacts you wish to calculate=54,2491 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=0.44624415040016174} WEIGHT20A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS21the atoms involved in each of the contacts you wish to calculate=54,2493 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=0.505925178527832} WEIGHT21A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS22the atoms involved in each of the contacts you wish to calculate=54,2568 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=0.8161230087280273} WEIGHT22A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS23the atoms involved in each of the contacts you wish to calculate=54,2570 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=0.9149656891822815} WEIGHT23A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS24the atoms involved in each of the contacts you wish to calculate=54,2573 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=0.8856492638587952} WEIGHT24A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS25the atoms involved in each of the contacts you wish to calculate=54,2575 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=1.0234590768814087} WEIGHT25A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS26the atoms involved in each of the contacts you wish to calculate=54,2579 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=0.7981535196304321} WEIGHT26A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS27the atoms involved in each of the contacts you wish to calculate=54,2623 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=0.6928781867027283} WEIGHT27A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS28the atoms involved in each of the contacts you wish to calculate=54,2625 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=0.6475754976272583} WEIGHT28A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS29the atoms involved in each of the contacts you wish to calculate=54,2627 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=0.5035719275474548} WEIGHT29A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS30the atoms involved in each of the contacts you wish to calculate=54,2631 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=0.7371729612350464} WEIGHT30A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS31the atoms involved in each of the contacts you wish to calculate=56,650 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=1.2154098749160767} WEIGHT31A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS32the atoms involved in each of the contacts you wish to calculate=56,652 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=1.2258117198944092} WEIGHT32A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS33the atoms involved in each of the contacts you wish to calculate=56,655 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=1.198154330253601} WEIGHT33A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS34the atoms involved in each of the contacts you wish to calculate=56,656 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=1.071199655532837} WEIGHT34A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS35the atoms involved in each of the contacts you wish to calculate=56,658 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=1.0686819553375244} WEIGHT35A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS36the atoms involved in each of the contacts you wish to calculate=56,660 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=1.1943490505218506} WEIGHT36A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS37the atoms involved in each of the contacts you wish to calculate=56,661 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=1.2240328788757324} WEIGHT37A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS38the atoms involved in each of the contacts you wish to calculate=56,663 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=1.311773657798767} WEIGHT38A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS39the atoms involved in each of the contacts you wish to calculate=56,665 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=1.3099215030670166} WEIGHT39A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS40the atoms involved in each of the contacts you wish to calculate=56,697 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=1.1908018589019775} WEIGHT40A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS41the atoms involved in each of the contacts you wish to calculate=56,699 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=1.0531564950942993} WEIGHT41A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS42the atoms involved in each of the contacts you wish to calculate=56,701 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=0.9550927877426147} WEIGHT42A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS43the atoms involved in each of the contacts you wish to calculate=56,705 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=1.015113353729248} WEIGHT43A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS44the atoms involved in each of the contacts you wish to calculate=56,2479 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=0.7233849167823792} WEIGHT44A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS45the atoms involved in each of the contacts you wish to calculate=56,2481 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=0.6475988030433655} WEIGHT45A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS46the atoms involved in each of the contacts you wish to calculate=56,2484 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=0.5807527899742126} WEIGHT46A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS47the atoms involved in each of the contacts you wish to calculate=56,2485 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=0.6570329666137695} WEIGHT47A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS48the atoms involved in each of the contacts you wish to calculate=56,2487 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=0.6371328234672546} WEIGHT48A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS49the atoms involved in each of the contacts you wish to calculate=56,2489 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=0.5446047782897949} WEIGHT49A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS50the atoms involved in each of the contacts you wish to calculate=56,2491 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=0.46060168743133545} WEIGHT50A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS51the atoms involved in each of the contacts you wish to calculate=56,2493 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=0.47651466727256775} WEIGHT51A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS52the atoms involved in each of the contacts you wish to calculate=56,2568 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=0.694614052772522} WEIGHT52A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS53the atoms involved in each of the contacts you wish to calculate=56,2570 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=0.8034761548042297} WEIGHT53A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS54the atoms involved in each of the contacts you wish to calculate=56,2573 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=0.786121129989624} WEIGHT54A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS55the atoms involved in each of the contacts you wish to calculate=56,2575 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=0.9301324486732483} WEIGHT55A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS56the atoms involved in each of the contacts you wish to calculate=56,2579 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=0.7184963822364807} WEIGHT56A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS57the atoms involved in each of the contacts you wish to calculate=56,2623 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=0.6282786726951599} WEIGHT57A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS58the atoms involved in each of the contacts you wish to calculate=56,2625 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=0.5954309701919556} WEIGHT58A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS59the atoms involved in each of the contacts you wish to calculate=56,2627 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=0.452328085899353} WEIGHT59A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS60the atoms involved in each of the contacts you wish to calculate=56,2631 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=0.6698104739189148} WEIGHT60A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS61the atoms involved in each of the contacts you wish to calculate=58,650 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=1.1068532466888428} WEIGHT61A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS62the atoms involved in each of the contacts you wish to calculate=58,652 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=1.129375696182251} WEIGHT62A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS63the atoms involved in each of the contacts you wish to calculate=58,655 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=1.1018660068511963} WEIGHT63A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS64the atoms involved in each of the contacts you wish to calculate=58,656 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=0.9743746519088745} WEIGHT64A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS65the atoms involved in each of the contacts you wish to calculate=58,658 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=0.9759376049041748} WEIGHT65A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS66the atoms involved in each of the contacts you wish to calculate=58,660 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=1.103806495666504} WEIGHT66A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS67the atoms involved in each of the contacts you wish to calculate=58,661 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=1.136616826057434} WEIGHT67A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS68the atoms involved in each of the contacts you wish to calculate=58,663 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=1.2190656661987305} WEIGHT68A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS69the atoms involved in each of the contacts you wish to calculate=58,665 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=1.2151458263397217} WEIGHT69A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS70the atoms involved in each of the contacts you wish to calculate=58,697 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=1.0472536087036133} WEIGHT70A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS71the atoms involved in each of the contacts you wish to calculate=58,699 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=0.9132477641105652} WEIGHT71A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS72the atoms involved in each of the contacts you wish to calculate=58,701 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=0.810089647769928} WEIGHT72A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS73the atoms involved in each of the contacts you wish to calculate=58,705 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=0.8793293833732605} WEIGHT73A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS74the atoms involved in each of the contacts you wish to calculate=58,2479 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=0.6275546550750732} WEIGHT74A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS75the atoms involved in each of the contacts you wish to calculate=58,2481 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=0.5321964621543884} WEIGHT75A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS76the atoms involved in each of the contacts you wish to calculate=58,2484 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=0.4766978323459625} WEIGHT76A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS77the atoms involved in each of the contacts you wish to calculate=58,2485 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=0.551134467124939} WEIGHT77A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS78the atoms involved in each of the contacts you wish to calculate=58,2487 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=0.549913763999939} WEIGHT78A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS79the atoms involved in each of the contacts you wish to calculate=58,2489 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=0.48523950576782227} WEIGHT79A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS80the atoms involved in each of the contacts you wish to calculate=58,2491 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=0.40989378094673157} WEIGHT80A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS81the atoms involved in each of the contacts you wish to calculate=58,2493 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=0.39925074577331543} WEIGHT81A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS82the atoms involved in each of the contacts you wish to calculate=58,2568 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=0.5655313730239868} WEIGHT82A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS83the atoms involved in each of the contacts you wish to calculate=58,2570 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=0.663913369178772} WEIGHT83A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS84the atoms involved in each of the contacts you wish to calculate=58,2573 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=0.6409643292427063} WEIGHT84A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS85the atoms involved in each of the contacts you wish to calculate=58,2575 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=0.7839983701705933} WEIGHT85A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS86the atoms involved in each of the contacts you wish to calculate=58,2579 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=0.5671209096908569} WEIGHT86A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS87the atoms involved in each of the contacts you wish to calculate=58,2623 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=0.5671552419662476} WEIGHT87A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS88the atoms involved in each of the contacts you wish to calculate=58,2625 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=0.5086638927459717} WEIGHT88A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS89the atoms involved in each of the contacts you wish to calculate=58,2627 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=0.36042720079421997} WEIGHT89A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS90the atoms involved in each of the contacts you wish to calculate=58,2631 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=0.5572584867477417} WEIGHT90A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS91the atoms involved in each of the contacts you wish to calculate=62,650 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=1.354487657546997} WEIGHT91A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS92the atoms involved in each of the contacts you wish to calculate=62,652 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=1.3677843809127808} WEIGHT92A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS93the atoms involved in each of the contacts you wish to calculate=62,655 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=1.334823489189148} WEIGHT93A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS94the atoms involved in each of the contacts you wish to calculate=62,656 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=1.2048041820526123} WEIGHT94A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS95the atoms involved in each of the contacts you wish to calculate=62,658 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=1.1944276094436646} WEIGHT95A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS96the atoms involved in each of the contacts you wish to calculate=62,660 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=1.3159247636795044} WEIGHT96A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS97the atoms involved in each of the contacts you wish to calculate=62,661 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=1.3359824419021606} WEIGHT97A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS98the atoms involved in each of the contacts you wish to calculate=62,663 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=1.4379020929336548} WEIGHT98A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS99the atoms involved in each of the contacts you wish to calculate=62,665 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=1.4431474208831787} WEIGHT99A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS100the atoms involved in each of the contacts you wish to calculate=62,697 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=1.2975057363510132} WEIGHT100A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS101the atoms involved in each of the contacts you wish to calculate=62,699 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=1.1654417514801025} WEIGHT101A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS102the atoms involved in each of the contacts you wish to calculate=62,701 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=1.0563324689865112} WEIGHT102A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS103the atoms involved in each of the contacts you wish to calculate=62,705 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=1.1341760158538818} WEIGHT103A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS104the atoms involved in each of the contacts you wish to calculate=62,2479 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=0.7048642039299011} WEIGHT104A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS105the atoms involved in each of the contacts you wish to calculate=62,2481 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=0.6594332456588745} WEIGHT105A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS106the atoms involved in each of the contacts you wish to calculate=62,2484 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=0.6096537709236145} WEIGHT106A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS107the atoms involved in each of the contacts you wish to calculate=62,2485 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=0.7080790996551514} WEIGHT107A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS108the atoms involved in each of the contacts you wish to calculate=62,2487 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=0.7031228542327881} WEIGHT108A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS109the atoms involved in each of the contacts you wish to calculate=62,2489 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=0.6062591075897217} WEIGHT109A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS110the atoms involved in each of the contacts you wish to calculate=62,2491 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=0.4959251284599304} WEIGHT110A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS111the atoms involved in each of the contacts you wish to calculate=62,2493 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=0.4925505816936493} WEIGHT111A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS112the atoms involved in each of the contacts you wish to calculate=62,2568 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=0.7281160354614258} WEIGHT112A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS113the atoms involved in each of the contacts you wish to calculate=62,2570 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=0.8397489190101624} WEIGHT113A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS114the atoms involved in each of the contacts you wish to calculate=62,2573 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=0.8220794796943665} WEIGHT114A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS115the atoms involved in each of the contacts you wish to calculate=62,2575 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=0.9645364880561829} WEIGHT115A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS116the atoms involved in each of the contacts you wish to calculate=62,2579 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=0.7776408791542053} WEIGHT116A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS117the atoms involved in each of the contacts you wish to calculate=62,2623 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=0.7314549088478088} WEIGHT117A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS118the atoms involved in each of the contacts you wish to calculate=62,2625 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=0.7140519618988037} WEIGHT118A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS119the atoms involved in each of the contacts you wish to calculate=62,2627 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=0.5770829319953918} WEIGHT119A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS120the atoms involved in each of the contacts you wish to calculate=62,2631 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=0.7765940427780151} WEIGHT120A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS121the atoms involved in each of the contacts you wish to calculate=65,650 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=1.4116805791854858} WEIGHT121A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS122the atoms involved in each of the contacts you wish to calculate=65,652 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=1.4393600225448608} WEIGHT122A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS123the atoms involved in each of the contacts you wish to calculate=65,655 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=1.4169096946716309} WEIGHT123A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS124the atoms involved in each of the contacts you wish to calculate=65,656 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=1.2902660369873047} WEIGHT124A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS125the atoms involved in each of the contacts you wish to calculate=65,658 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=1.2903800010681152} WEIGHT125A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS126the atoms involved in each of the contacts you wish to calculate=65,660 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=1.4162278175354004} WEIGHT126A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS127the atoms involved in each of the contacts you wish to calculate=65,661 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=1.4425325393676758} WEIGHT127A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS128the atoms involved in each of the contacts you wish to calculate=65,663 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=1.5338178873062134} WEIGHT128A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS129the atoms involved in each of the contacts you wish to calculate=65,665 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=1.5310858488082886} WEIGHT129A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS130the atoms involved in each of the contacts you wish to calculate=65,697 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=1.3220356702804565} WEIGHT130A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS131the atoms involved in each of the contacts you wish to calculate=65,699 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=1.1986850500106812} WEIGHT131A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS132the atoms involved in each of the contacts you wish to calculate=65,701 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=1.088498830795288} WEIGHT132A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS133the atoms involved in each of the contacts you wish to calculate=65,705 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=1.1592966318130493} WEIGHT133A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS134the atoms involved in each of the contacts you wish to calculate=65,2479 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=0.6053969264030457} WEIGHT134A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS135the atoms involved in each of the contacts you wish to calculate=65,2481 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=0.5823349952697754} WEIGHT135A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS136the atoms involved in each of the contacts you wish to calculate=65,2484 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=0.5270158052444458} WEIGHT136A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS137the atoms involved in each of the contacts you wish to calculate=65,2485 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=0.6320711374282837} WEIGHT137A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS138the atoms involved in each of the contacts you wish to calculate=65,2487 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=0.6308293342590332} WEIGHT138A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS139the atoms involved in each of the contacts you wish to calculate=65,2489 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=0.5300132632255554} WEIGHT139A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS140the atoms involved in each of the contacts you wish to calculate=65,2491 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=0.4038487672805786} WEIGHT140A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS141the atoms involved in each of the contacts you wish to calculate=65,2493 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=0.3975047171115875} WEIGHT141A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS142the atoms involved in each of the contacts you wish to calculate=65,2568 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=0.7685105800628662} WEIGHT142A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS143the atoms involved in each of the contacts you wish to calculate=65,2570 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=0.8603217601776123} WEIGHT143A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS144the atoms involved in each of the contacts you wish to calculate=65,2573 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=0.8178876638412476} WEIGHT144A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS145the atoms involved in each of the contacts you wish to calculate=65,2575 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=0.9487403035163879} WEIGHT145A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS146the atoms involved in each of the contacts you wish to calculate=65,2579 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=0.7745791673660278} WEIGHT146A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS147the atoms involved in each of the contacts you wish to calculate=65,2623 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=0.8527284860610962} WEIGHT147A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS148the atoms involved in each of the contacts you wish to calculate=65,2625 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=0.8166882395744324} WEIGHT148A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS149the atoms involved in each of the contacts you wish to calculate=65,2627 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=0.672263503074646} WEIGHT149A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS150the atoms involved in each of the contacts you wish to calculate=65,2631 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=0.8629679679870605} WEIGHT150A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS151the atoms involved in each of the contacts you wish to calculate=73,650 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=0.9309435486793518} WEIGHT151A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS152the atoms involved in each of the contacts you wish to calculate=73,652 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=0.9082626700401306} WEIGHT152A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS153the atoms involved in each of the contacts you wish to calculate=73,655 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=0.9031504392623901} WEIGHT153A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS154the atoms involved in each of the contacts you wish to calculate=73,656 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=0.800478458404541} WEIGHT154A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS155the atoms involved in each of the contacts you wish to calculate=73,658 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=0.8262046575546265} WEIGHT155A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS156the atoms involved in each of the contacts you wish to calculate=73,660 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=0.9544553756713867} WEIGHT156A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS157the atoms involved in each of the contacts you wish to calculate=73,661 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=1.0169137716293335} WEIGHT157A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS158the atoms involved in each of the contacts you wish to calculate=73,663 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=1.0473077297210693} WEIGHT158A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS159the atoms involved in each of the contacts you wish to calculate=73,665 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=1.0195348262786865} WEIGHT159A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS160the atoms involved in each of the contacts you wish to calculate=73,697 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=1.0869590044021606} WEIGHT160A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS161the atoms involved in each of the contacts you wish to calculate=73,699 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=0.9369574785232544} WEIGHT161A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS162the atoms involved in each of the contacts you wish to calculate=73,701 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=0.8988440632820129} WEIGHT162A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS163the atoms involved in each of the contacts you wish to calculate=73,705 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=0.8754950165748596} WEIGHT163A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS164the atoms involved in each of the contacts you wish to calculate=73,2479 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=1.0344990491867065} WEIGHT164A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS165the atoms involved in each of the contacts you wish to calculate=73,2481 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=0.9126667976379395} WEIGHT165A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS166the atoms involved in each of the contacts you wish to calculate=73,2484 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=0.8167228102684021} WEIGHT166A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS167the atoms involved in each of the contacts you wish to calculate=73,2485 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=0.8182058334350586} WEIGHT167A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS168the atoms involved in each of the contacts you wish to calculate=73,2487 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=0.7491015195846558} WEIGHT168A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS169the atoms involved in each of the contacts you wish to calculate=73,2489 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=0.6819535493850708} WEIGHT169A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS170the atoms involved in each of the contacts you wish to calculate=73,2491 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=0.6930801868438721} WEIGHT170A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS171the atoms involved in each of the contacts you wish to calculate=73,2493 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=0.7579741477966309} WEIGHT171A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS172the atoms involved in each of the contacts you wish to calculate=73,2568 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=0.8844940066337585} WEIGHT172A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS173the atoms involved in each of the contacts you wish to calculate=73,2570 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=0.9762383103370667} WEIGHT173A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS174the atoms involved in each of the contacts you wish to calculate=73,2573 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=0.9711946845054626} WEIGHT174A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS175the atoms involved in each of the contacts you wish to calculate=73,2575 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=1.1013449430465698} WEIGHT175A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS176the atoms involved in each of the contacts you wish to calculate=73,2579 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=0.8563979864120483} WEIGHT176A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS177the atoms involved in each of the contacts you wish to calculate=73,2623 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=0.5388705730438232} WEIGHT177A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS178the atoms involved in each of the contacts you wish to calculate=73,2625 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=0.48216524720191956} WEIGHT178A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS179the atoms involved in each of the contacts you wish to calculate=73,2627 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=0.395525187253952} WEIGHT179A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS180the atoms involved in each of the contacts you wish to calculate=73,2631 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=0.6100140810012817} WEIGHT180A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS181the atoms involved in each of the contacts you wish to calculate=75,650 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=0.9557713270187378} WEIGHT181A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS182the atoms involved in each of the contacts you wish to calculate=75,652 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=0.9094404578208923} WEIGHT182A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS183the atoms involved in each of the contacts you wish to calculate=75,655 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=0.8884962201118469} WEIGHT183A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS184the atoms involved in each of the contacts you wish to calculate=75,656 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=0.7862153649330139} WEIGHT184A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS185the atoms involved in each of the contacts you wish to calculate=75,658 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=0.7945192456245422} WEIGHT185A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS186the atoms involved in each of the contacts you wish to calculate=75,660 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=0.9109082818031311} WEIGHT186A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS187the atoms involved in each of the contacts you wish to calculate=75,661 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=0.9635561108589172} WEIGHT187A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS188the atoms involved in each of the contacts you wish to calculate=75,663 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=1.0070005655288696} WEIGHT188A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS189the atoms involved in each of the contacts you wish to calculate=75,665 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=0.9915522933006287} WEIGHT189A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS190the atoms involved in each of the contacts you wish to calculate=75,697 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=1.1489417552947998} WEIGHT190A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS191the atoms involved in each of the contacts you wish to calculate=75,699 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=0.9966095089912415} WEIGHT191A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS192the atoms involved in each of the contacts you wish to calculate=75,701 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=0.9612875580787659} WEIGHT192A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS193the atoms involved in each of the contacts you wish to calculate=75,705 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=0.9491009712219238} WEIGHT193A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS194the atoms involved in each of the contacts you wish to calculate=75,2479 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=1.15557861328125} WEIGHT194A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS195the atoms involved in each of the contacts you wish to calculate=75,2481 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=1.0345193147659302} WEIGHT195A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS196the atoms involved in each of the contacts you wish to calculate=75,2484 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=0.9492130875587463} WEIGHT196A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS197the atoms involved in each of the contacts you wish to calculate=75,2485 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=0.9583811163902283} WEIGHT197A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS198the atoms involved in each of the contacts you wish to calculate=75,2487 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=0.8964009284973145} WEIGHT198A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS199the atoms involved in each of the contacts you wish to calculate=75,2489 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=0.8301289677619934} WEIGHT199A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS200the atoms involved in each of the contacts you wish to calculate=75,2491 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=0.832676112651825} WEIGHT200A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS201the atoms involved in each of the contacts you wish to calculate=75,2493 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=0.8890749216079712} WEIGHT201A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS202the atoms involved in each of the contacts you wish to calculate=75,2568 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=0.9343194961547852} WEIGHT202A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS203the atoms involved in each of the contacts you wish to calculate=75,2570 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=1.0376794338226318} WEIGHT203A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS204the atoms involved in each of the contacts you wish to calculate=75,2573 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=1.0528762340545654} WEIGHT204A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS205the atoms involved in each of the contacts you wish to calculate=75,2575 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=1.186965823173523} WEIGHT205A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS206the atoms involved in each of the contacts you wish to calculate=75,2579 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=0.9479856491088867} WEIGHT206A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS207the atoms involved in each of the contacts you wish to calculate=75,2623 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=0.49890923500061035} WEIGHT207A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS208the atoms involved in each of the contacts you wish to calculate=75,2625 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=0.4806707203388214} WEIGHT208A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS209the atoms involved in each of the contacts you wish to calculate=75,2627 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=0.4315405786037445} WEIGHT209A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS210the atoms involved in each of the contacts you wish to calculate=75,2631 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=0.6263275146484375} WEIGHT210A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS211the atoms involved in each of the contacts you wish to calculate=78,650 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=0.8566506505012512} WEIGHT211A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS212the atoms involved in each of the contacts you wish to calculate=78,652 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=0.7954189777374268} WEIGHT212A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS213the atoms involved in each of the contacts you wish to calculate=78,655 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=0.779197633266449} WEIGHT213A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS214the atoms involved in each of the contacts you wish to calculate=78,656 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=0.6903489828109741} WEIGHT214A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS215the atoms involved in each of the contacts you wish to calculate=78,658 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=0.7073019742965698} WEIGHT215A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS216the atoms involved in each of the contacts you wish to calculate=78,660 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=0.8185909986495972} WEIGHT216A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS217the atoms involved in each of the contacts you wish to calculate=78,661 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=0.8821538686752319} WEIGHT217A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS218the atoms involved in each of the contacts you wish to calculate=78,663 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=0.9021505117416382} WEIGHT218A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS219the atoms involved in each of the contacts you wish to calculate=78,665 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=0.8788227438926697} WEIGHT219A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS220the atoms involved in each of the contacts you wish to calculate=78,697 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=1.1063374280929565} WEIGHT220A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS221the atoms involved in each of the contacts you wish to calculate=78,699 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=0.9565300941467285} WEIGHT221A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS222the atoms involved in each of the contacts you wish to calculate=78,701 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=0.9421437382698059} WEIGHT222A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS223the atoms involved in each of the contacts you wish to calculate=78,705 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=0.9087143540382385} WEIGHT223A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS224the atoms involved in each of the contacts you wish to calculate=78,2479 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=1.2466806173324585} WEIGHT224A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS225the atoms involved in each of the contacts you wish to calculate=78,2481 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=1.1162512302398682} WEIGHT225A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS226the atoms involved in each of the contacts you wish to calculate=78,2484 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=1.032570719718933} WEIGHT226A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS227the atoms involved in each of the contacts you wish to calculate=78,2485 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=1.026920199394226} WEIGHT227A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS228the atoms involved in each of the contacts you wish to calculate=78,2487 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=0.9632880091667175} WEIGHT228A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS229the atoms involved in each of the contacts you wish to calculate=78,2489 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=0.9124829173088074} WEIGHT229A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS230the atoms involved in each of the contacts you wish to calculate=78,2491 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=0.9318563342094421} WEIGHT230A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS231the atoms involved in each of the contacts you wish to calculate=78,2493 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=0.9879124760627747} WEIGHT231A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS232the atoms involved in each of the contacts you wish to calculate=78,2568 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=0.9894007444381714} WEIGHT232A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS233the atoms involved in each of the contacts you wish to calculate=78,2570 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=1.0825958251953125} WEIGHT233A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS234the atoms involved in each of the contacts you wish to calculate=78,2573 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=1.1024270057678223} WEIGHT234A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS235the atoms involved in each of the contacts you wish to calculate=78,2575 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=1.2279303073883057} WEIGHT235A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS236the atoms involved in each of the contacts you wish to calculate=78,2579 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=0.9914906024932861} WEIGHT236A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS237the atoms involved in each of the contacts you wish to calculate=78,2623 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=0.5147303938865662} WEIGHT237A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS238the atoms involved in each of the contacts you wish to calculate=78,2625 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=0.48978909850120544} WEIGHT238A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS239the atoms involved in each of the contacts you wish to calculate=78,2627 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=0.4794395864009857} WEIGHT239A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS240the atoms involved in each of the contacts you wish to calculate=78,2631 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=0.6308432221412659} WEIGHT240A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS241the atoms involved in each of the contacts you wish to calculate=79,650 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=0.7754189372062683} WEIGHT241A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS242the atoms involved in each of the contacts you wish to calculate=79,652 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=0.7017617225646973} WEIGHT242A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS243the atoms involved in each of the contacts you wish to calculate=79,655 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=0.6671515703201294} WEIGHT243A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS244the atoms involved in each of the contacts you wish to calculate=79,656 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=0.5750181674957275} WEIGHT244A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS245the atoms involved in each of the contacts you wish to calculate=79,658 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=0.5793154835700989} WEIGHT245A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS246the atoms involved in each of the contacts you wish to calculate=79,660 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=0.684518575668335} WEIGHT246A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS247the atoms involved in each of the contacts you wish to calculate=79,661 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=0.7448719143867493} WEIGHT247A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS248the atoms involved in each of the contacts you wish to calculate=79,663 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=0.771101713180542} WEIGHT248A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS249the atoms involved in each of the contacts you wish to calculate=79,665 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=0.7575629353523254} WEIGHT249A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS250the atoms involved in each of the contacts you wish to calculate=79,697 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=1.0357543230056763} WEIGHT250A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS251the atoms involved in each of the contacts you wish to calculate=79,699 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=0.8874210715293884} WEIGHT251A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS252the atoms involved in each of the contacts you wish to calculate=79,701 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=0.8769866228103638} WEIGHT252A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS253the atoms involved in each of the contacts you wish to calculate=79,705 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=0.8558913469314575} WEIGHT253A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS254the atoms involved in each of the contacts you wish to calculate=79,2479 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=1.2742069959640503} WEIGHT254A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS255the atoms involved in each of the contacts you wish to calculate=79,2481 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=1.1387840509414673} WEIGHT255A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS256the atoms involved in each of the contacts you wish to calculate=79,2484 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=1.069981575012207} WEIGHT256A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS257the atoms involved in each of the contacts you wish to calculate=79,2485 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=1.0656366348266602} WEIGHT257A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS258the atoms involved in each of the contacts you wish to calculate=79,2487 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=1.0160815715789795} WEIGHT258A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS259the atoms involved in each of the contacts you wish to calculate=79,2489 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=0.980177104473114} WEIGHT259A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS260the atoms involved in each of the contacts you wish to calculate=79,2491 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=0.9979470372200012} WEIGHT260A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS261the atoms involved in each of the contacts you wish to calculate=79,2493 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=1.0383280515670776} WEIGHT261A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS262the atoms involved in each of the contacts you wish to calculate=79,2568 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=0.9466512799263} WEIGHT262A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS263the atoms involved in each of the contacts you wish to calculate=79,2570 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=1.0373796224594116} WEIGHT263A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS264the atoms involved in each of the contacts you wish to calculate=79,2573 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=1.0720549821853638} WEIGHT264A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS265the atoms involved in each of the contacts you wish to calculate=79,2575 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=1.193489670753479} WEIGHT265A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS266the atoms involved in each of the contacts you wish to calculate=79,2579 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=0.9678182601928711} WEIGHT266A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS267the atoms involved in each of the contacts you wish to calculate=79,2623 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=0.43549710512161255} WEIGHT267A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS268the atoms involved in each of the contacts you wish to calculate=79,2625 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=0.42063960433006287} WEIGHT268A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS269the atoms involved in each of the contacts you wish to calculate=79,2627 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=0.45383113622665405} WEIGHT269A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS270the atoms involved in each of the contacts you wish to calculate=79,2631 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=0.5564976930618286} WEIGHT270A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS271the atoms involved in each of the contacts you wish to calculate=81,650 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=0.7221040725708008} WEIGHT271A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS272the atoms involved in each of the contacts you wish to calculate=81,652 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=0.6284149289131165} WEIGHT272A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS273the atoms involved in each of the contacts you wish to calculate=81,655 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=0.5999292135238647} WEIGHT273A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS274the atoms involved in each of the contacts you wish to calculate=81,656 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=0.5315840244293213} WEIGHT274A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS275the atoms involved in each of the contacts you wish to calculate=81,658 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=0.545782208442688} WEIGHT275A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS276the atoms involved in each of the contacts you wish to calculate=81,660 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=0.6372515559196472} WEIGHT276A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS277the atoms involved in each of the contacts you wish to calculate=81,661 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=0.708910346031189} WEIGHT277A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS278the atoms involved in each of the contacts you wish to calculate=81,663 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=0.7040637135505676} WEIGHT278A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS279the atoms involved in each of the contacts you wish to calculate=81,665 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=0.6811647415161133} WEIGHT279A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS280the atoms involved in each of the contacts you wish to calculate=81,697 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=1.0424482822418213} WEIGHT280A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS281the atoms involved in each of the contacts you wish to calculate=81,699 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=0.9012321829795837} WEIGHT281A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS282the atoms involved in each of the contacts you wish to calculate=81,701 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=0.9126427173614502} WEIGHT282A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS283the atoms involved in each of the contacts you wish to calculate=81,705 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=0.8698651194572449} WEIGHT283A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS284the atoms involved in each of the contacts you wish to calculate=81,2479 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=1.3852286338806152} WEIGHT284A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS285the atoms involved in each of the contacts you wish to calculate=81,2481 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=1.2452101707458496} WEIGHT285A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS286the atoms involved in each of the contacts you wish to calculate=81,2484 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=1.1761393547058105} WEIGHT286A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS287the atoms involved in each of the contacts you wish to calculate=81,2485 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=1.1606122255325317} WEIGHT287A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS288the atoms involved in each of the contacts you wish to calculate=81,2487 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=1.1081088781356812} WEIGHT288A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS289the atoms involved in each of the contacts you wish to calculate=81,2489 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=1.0811302661895752} WEIGHT289A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS290the atoms involved in each of the contacts you wish to calculate=81,2491 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=1.110593318939209} WEIGHT290A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS291the atoms involved in each of the contacts you wish to calculate=81,2493 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=1.1534264087677002} WEIGHT291A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS292the atoms involved in each of the contacts you wish to calculate=81,2568 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=1.0436205863952637} WEIGHT292A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS293the atoms involved in each of the contacts you wish to calculate=81,2570 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=1.1244854927062988} WEIGHT293A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS294the atoms involved in each of the contacts you wish to calculate=81,2573 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=1.1611239910125732} WEIGHT294A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS295the atoms involved in each of the contacts you wish to calculate=81,2575 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=1.27351975440979} WEIGHT295A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS296the atoms involved in each of the contacts you wish to calculate=81,2579 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=1.0538326501846313} WEIGHT296A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS297the atoms involved in each of the contacts you wish to calculate=81,2623 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=0.5294727683067322} WEIGHT297A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS298the atoms involved in each of the contacts you wish to calculate=81,2625 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=0.512668788433075} WEIGHT298A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS299the atoms involved in each of the contacts you wish to calculate=81,2627 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=0.5677062273025513} WEIGHT299A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS300the atoms involved in each of the contacts you wish to calculate=81,2631 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=0.6317002177238464} WEIGHT300A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS301the atoms involved in each of the contacts you wish to calculate=83,650 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=0.7567639350891113} WEIGHT301A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS302the atoms involved in each of the contacts you wish to calculate=83,652 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=0.660020112991333} WEIGHT302A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS303the atoms involved in each of the contacts you wish to calculate=83,655 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=0.658077597618103} WEIGHT303A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS304the atoms involved in each of the contacts you wish to calculate=83,656 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=0.6139795184135437} WEIGHT304A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS305the atoms involved in each of the contacts you wish to calculate=83,658 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=0.6478961110115051} WEIGHT305A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS306the atoms involved in each of the contacts you wish to calculate=83,660 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=0.7335739731788635} WEIGHT306A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS307the atoms involved in each of the contacts you wish to calculate=83,661 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=0.8154194355010986} WEIGHT307A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS308the atoms involved in each of the contacts you wish to calculate=83,663 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=0.7802172303199768} WEIGHT308A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS309the atoms involved in each of the contacts you wish to calculate=83,665 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=0.7394839525222778} WEIGHT309A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS310the atoms involved in each of the contacts you wish to calculate=83,697 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=1.1171554327011108} WEIGHT310A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS311the atoms involved in each of the contacts you wish to calculate=83,699 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=0.9806197881698608} WEIGHT311A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS312the atoms involved in each of the contacts you wish to calculate=83,701 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=1.0061144828796387} WEIGHT312A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS313the atoms involved in each of the contacts you wish to calculate=83,705 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=0.9345998764038086} WEIGHT313A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS314the atoms involved in each of the contacts you wish to calculate=83,2479 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=1.466135859489441} WEIGHT314A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS315the atoms involved in each of the contacts you wish to calculate=83,2481 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=1.3258153200149536} WEIGHT315A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS316the atoms involved in each of the contacts you wish to calculate=83,2484 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=1.2447415590286255} WEIGHT316A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS317the atoms involved in each of the contacts you wish to calculate=83,2485 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=1.2184197902679443} WEIGHT317A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS318the atoms involved in each of the contacts you wish to calculate=83,2487 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=1.1522496938705444} WEIGHT318A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS319the atoms involved in each of the contacts you wish to calculate=83,2489 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=1.121885061264038} WEIGHT319A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS320the atoms involved in each of the contacts you wish to calculate=83,2491 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=1.162964105606079} WEIGHT320A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS321the atoms involved in each of the contacts you wish to calculate=83,2493 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=1.219750165939331} WEIGHT321A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS322the atoms involved in each of the contacts you wish to calculate=83,2568 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=1.1667243242263794} WEIGHT322A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS323the atoms involved in each of the contacts you wish to calculate=83,2570 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=1.2427983283996582} WEIGHT323A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS324the atoms involved in each of the contacts you wish to calculate=83,2573 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=1.2692457437515259} WEIGHT324A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS325the atoms involved in each of the contacts you wish to calculate=83,2575 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=1.3783092498779297} WEIGHT325A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS326the atoms involved in each of the contacts you wish to calculate=83,2579 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=1.1534093618392944} WEIGHT326A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS327the atoms involved in each of the contacts you wish to calculate=83,2623 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=0.6664283871650696} WEIGHT327A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS328the atoms involved in each of the contacts you wish to calculate=83,2625 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=0.6408188343048096} WEIGHT328A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS329the atoms involved in each of the contacts you wish to calculate=83,2627 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=0.6807906031608582} WEIGHT329A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS330the atoms involved in each of the contacts you wish to calculate=83,2631 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=0.7577747702598572} WEIGHT330A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS331the atoms involved in each of the contacts you wish to calculate=84,650 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=0.7489091157913208} WEIGHT331A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS332the atoms involved in each of the contacts you wish to calculate=84,652 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=0.634943962097168} WEIGHT332A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS333the atoms involved in each of the contacts you wish to calculate=84,655 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=0.6382222175598145} WEIGHT333A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS334the atoms involved in each of the contacts you wish to calculate=84,656 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=0.6211105585098267} WEIGHT334A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS335the atoms involved in each of the contacts you wish to calculate=84,658 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=0.6585385799407959} WEIGHT335A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS336the atoms involved in each of the contacts you wish to calculate=84,660 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=0.7242143750190735} WEIGHT336A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS337the atoms involved in each of the contacts you wish to calculate=84,661 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=0.8102027773857117} WEIGHT337A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS338the atoms involved in each of the contacts you wish to calculate=84,663 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=0.7491664886474609} WEIGHT338A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS339the atoms involved in each of the contacts you wish to calculate=84,665 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=0.7025509476661682} WEIGHT339A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS340the atoms involved in each of the contacts you wish to calculate=84,697 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=1.1520562171936035} WEIGHT340A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS341the atoms involved in each of the contacts you wish to calculate=84,699 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=1.0246309041976929} WEIGHT341A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS342the atoms involved in each of the contacts you wish to calculate=84,701 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=1.0658600330352783} WEIGHT342A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS343the atoms involved in each of the contacts you wish to calculate=84,705 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=0.9825854301452637} WEIGHT343A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS344the atoms involved in each of the contacts you wish to calculate=84,2479 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=1.5834206342697144} WEIGHT344A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS345the atoms involved in each of the contacts you wish to calculate=84,2481 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=1.440293788909912} WEIGHT345A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS346the atoms involved in each of the contacts you wish to calculate=84,2484 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=1.3616539239883423} WEIGHT346A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS347the atoms involved in each of the contacts you wish to calculate=84,2485 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=1.3292263746261597} WEIGHT347A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS348the atoms involved in each of the contacts you wish to calculate=84,2487 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=1.2636436223983765} WEIGHT348A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS349the atoms involved in each of the contacts you wish to calculate=84,2489 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=1.2405177354812622} WEIGHT349A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS350the atoms involved in each of the contacts you wish to calculate=84,2491 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=1.2875696420669556} WEIGHT350A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS351the atoms involved in each of the contacts you wish to calculate=84,2493 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=1.3434101343154907} WEIGHT351A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS352the atoms involved in each of the contacts you wish to calculate=84,2568 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=1.2649725675582886} WEIGHT352A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS353the atoms involved in each of the contacts you wish to calculate=84,2570 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=1.33474862575531} WEIGHT353A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS354the atoms involved in each of the contacts you wish to calculate=84,2573 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=1.3651251792907715} WEIGHT354A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS355the atoms involved in each of the contacts you wish to calculate=84,2575 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=1.4672178030014038} WEIGHT355A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS356the atoms involved in each of the contacts you wish to calculate=84,2579 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=1.249820351600647} WEIGHT356A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS357the atoms involved in each of the contacts you wish to calculate=84,2623 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=0.7613797187805176} WEIGHT357A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS358the atoms involved in each of the contacts you wish to calculate=84,2625 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=0.7393909096717834} WEIGHT358A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS359the atoms involved in each of the contacts you wish to calculate=84,2627 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=0.7952523231506348} WEIGHT359A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS360the atoms involved in each of the contacts you wish to calculate=84,2631 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=0.8447737097740173} WEIGHT360A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS361the atoms involved in each of the contacts you wish to calculate=86,650 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=0.8365533351898193} WEIGHT361A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS362the atoms involved in each of the contacts you wish to calculate=86,652 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=0.7566362619400024} WEIGHT362A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS363the atoms involved in each of the contacts you wish to calculate=86,655 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=0.7693386673927307} WEIGHT363A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS364the atoms involved in each of the contacts you wish to calculate=86,656 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=0.7203338742256165} WEIGHT364A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS365the atoms involved in each of the contacts you wish to calculate=86,658 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=0.7620297074317932} WEIGHT365A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS366the atoms involved in each of the contacts you wish to calculate=86,660 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=0.8583394289016724} WEIGHT366A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS367the atoms involved in each of the contacts you wish to calculate=86,661 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=0.9409445524215698} WEIGHT367A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS368the atoms involved in each of the contacts you wish to calculate=86,663 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=0.9087017178535461} WEIGHT368A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS369the atoms involved in each of the contacts you wish to calculate=86,665 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=0.8619062304496765} WEIGHT369A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS370the atoms involved in each of the contacts you wish to calculate=86,697 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=1.1775916814804077} WEIGHT370A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS371the atoms involved in each of the contacts you wish to calculate=86,699 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=1.0381981134414673} WEIGHT371A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS372the atoms involved in each of the contacts you wish to calculate=86,701 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=1.0576645135879517} WEIGHT372A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS373the atoms involved in each of the contacts you wish to calculate=86,705 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=0.9776394963264465} WEIGHT373A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS374the atoms involved in each of the contacts you wish to calculate=86,2479 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=1.4355106353759766} WEIGHT374A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS375the atoms involved in each of the contacts you wish to calculate=86,2481 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=1.2997370958328247} WEIGHT375A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS376the atoms involved in each of the contacts you wish to calculate=86,2484 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=1.206023931503296} WEIGHT376A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS377the atoms involved in each of the contacts you wish to calculate=86,2485 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=1.1779578924179077} WEIGHT377A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS378the atoms involved in each of the contacts you wish to calculate=86,2487 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=1.0994032621383667} WEIGHT378A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS379the atoms involved in each of the contacts you wish to calculate=86,2489 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=1.056915521621704} WEIGHT379A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS380the atoms involved in each of the contacts you wish to calculate=86,2491 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=1.1004751920700073} WEIGHT380A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS381the atoms involved in each of the contacts you wish to calculate=86,2493 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=1.1706470251083374} WEIGHT381A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS382the atoms involved in each of the contacts you wish to calculate=86,2568 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=1.195850133895874} WEIGHT382A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS383the atoms involved in each of the contacts you wish to calculate=86,2570 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=1.2747060060501099} WEIGHT383A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS384the atoms involved in each of the contacts you wish to calculate=86,2573 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=1.2885677814483643} WEIGHT384A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS385the atoms involved in each of the contacts you wish to calculate=86,2575 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=1.401716947555542} WEIGHT385A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS386the atoms involved in each of the contacts you wish to calculate=86,2579 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=1.1668167114257812} WEIGHT386A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS387the atoms involved in each of the contacts you wish to calculate=86,2623 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=0.7169845700263977} WEIGHT387A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS388the atoms involved in each of the contacts you wish to calculate=86,2625 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=0.6834959983825684} WEIGHT388A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS389the atoms involved in each of the contacts you wish to calculate=86,2627 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=0.692775547504425} WEIGHT389A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS390the atoms involved in each of the contacts you wish to calculate=86,2631 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=0.8089070916175842} WEIGHT390A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS391the atoms involved in each of the contacts you wish to calculate=88,650 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=0.8834666013717651} WEIGHT391A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS392the atoms involved in each of the contacts you wish to calculate=88,652 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=0.8192144632339478} WEIGHT392A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS393the atoms involved in each of the contacts you wish to calculate=88,655 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=0.8241855502128601} WEIGHT393A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS394the atoms involved in each of the contacts you wish to calculate=88,656 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=0.7545161843299866} WEIGHT394A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS395the atoms involved in each of the contacts you wish to calculate=88,658 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=0.7885397672653198} WEIGHT395A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS396the atoms involved in each of the contacts you wish to calculate=88,660 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=0.8964353203773499} WEIGHT396A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS397the atoms involved in each of the contacts you wish to calculate=88,661 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=0.9711530804634094} WEIGHT397A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS398the atoms involved in each of the contacts you wish to calculate=88,663 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=0.9638135433197021} WEIGHT398A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS399the atoms involved in each of the contacts you wish to calculate=88,665 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=0.9252039194107056} WEIGHT399A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS400the atoms involved in each of the contacts you wish to calculate=88,697 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=1.1728414297103882} WEIGHT400A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS401the atoms involved in each of the contacts you wish to calculate=88,699 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=1.0273336172103882} WEIGHT401A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS402the atoms involved in each of the contacts you wish to calculate=88,701 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=1.028367280960083} WEIGHT402A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS403the atoms involved in each of the contacts you wish to calculate=88,705 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=0.9657133221626282} WEIGHT403A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS404the atoms involved in each of the contacts you wish to calculate=88,2479 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=1.3285678625106812} WEIGHT404A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS405the atoms involved in each of the contacts you wish to calculate=88,2481 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=1.1980303525924683} WEIGHT405A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS406the atoms involved in each of the contacts you wish to calculate=88,2484 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=1.1020355224609375} WEIGHT406A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS407the atoms involved in each of the contacts you wish to calculate=88,2485 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=1.0834599733352661} WEIGHT407A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS408the atoms involved in each of the contacts you wish to calculate=88,2487 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=1.0049159526824951} WEIGHT408A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS409the atoms involved in each of the contacts you wish to calculate=88,2489 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=0.9513953328132629} WEIGHT409A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS410the atoms involved in each of the contacts you wish to calculate=88,2491 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=0.9850666522979736} WEIGHT410A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS411the atoms involved in each of the contacts you wish to calculate=88,2493 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=1.0564709901809692} WEIGHT411A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS412the atoms involved in each of the contacts you wish to calculate=88,2568 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=1.1140645742416382} WEIGHT412A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS413the atoms involved in each of the contacts you wish to calculate=88,2570 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=1.2003374099731445} WEIGHT413A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS414the atoms involved in each of the contacts you wish to calculate=88,2573 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=1.210228681564331} WEIGHT414A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS415the atoms involved in each of the contacts you wish to calculate=88,2575 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=1.3307602405548096} WEIGHT415A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS416the atoms involved in each of the contacts you wish to calculate=88,2579 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=1.090667486190796} WEIGHT416A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS417the atoms involved in each of the contacts you wish to calculate=88,2623 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=0.6527144312858582} WEIGHT417A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS418the atoms involved in each of the contacts you wish to calculate=88,2625 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=0.6190008521080017} WEIGHT418A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS419the atoms involved in each of the contacts you wish to calculate=88,2627 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=0.6037590503692627} WEIGHT419A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS420the atoms involved in each of the contacts you wish to calculate=88,2631 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=0.7534478902816772} WEIGHT420A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS421the atoms involved in each of the contacts you wish to calculate=121,650 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=0.8827762603759766} WEIGHT421A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS422the atoms involved in each of the contacts you wish to calculate=121,652 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=0.9343044757843018} WEIGHT422A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS423the atoms involved in each of the contacts you wish to calculate=121,655 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=1.0006381273269653} WEIGHT423A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS424the atoms involved in each of the contacts you wish to calculate=121,656 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=0.9383794069290161} WEIGHT424A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS425the atoms involved in each of the contacts you wish to calculate=121,658 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=1.0277423858642578} WEIGHT425A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS426the atoms involved in each of the contacts you wish to calculate=121,660 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=1.16602623462677} WEIGHT426A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS427the atoms involved in each of the contacts you wish to calculate=121,661 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=1.265393853187561} WEIGHT427A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS428the atoms involved in each of the contacts you wish to calculate=121,663 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=1.2187949419021606} WEIGHT428A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS429the atoms involved in each of the contacts you wish to calculate=121,665 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=1.1403672695159912} WEIGHT429A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS430the atoms involved in each of the contacts you wish to calculate=121,697 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=0.9692772030830383} WEIGHT430A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS431the atoms involved in each of the contacts you wish to calculate=121,699 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=0.8584532141685486} WEIGHT431A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS432the atoms involved in each of the contacts you wish to calculate=121,701 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=0.8589931130409241} WEIGHT432A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS433the atoms involved in each of the contacts you wish to calculate=121,705 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=0.7366448640823364} WEIGHT433A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS434the atoms involved in each of the contacts you wish to calculate=121,2479 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=0.9146985411643982} WEIGHT434A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS435the atoms involved in each of the contacts you wish to calculate=121,2481 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=0.7927442789077759} WEIGHT435A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS436the atoms involved in each of the contacts you wish to calculate=121,2484 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=0.6605428457260132} WEIGHT436A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS437the atoms involved in each of the contacts you wish to calculate=121,2485 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=0.5731696486473083} WEIGHT437A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS438the atoms involved in each of the contacts you wish to calculate=121,2487 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=0.4545432925224304} WEIGHT438A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS439the atoms involved in each of the contacts you wish to calculate=121,2489 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=0.4435187876224518} WEIGHT439A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS440the atoms involved in each of the contacts you wish to calculate=121,2491 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=0.5580437183380127} WEIGHT440A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS441the atoms involved in each of the contacts you wish to calculate=121,2493 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=0.6567596197128296} WEIGHT441A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS442the atoms involved in each of the contacts you wish to calculate=121,2568 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=1.0248717069625854} WEIGHT442A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS443the atoms involved in each of the contacts you wish to calculate=121,2570 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=1.0448377132415771} WEIGHT443A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS444the atoms involved in each of the contacts you wish to calculate=121,2573 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=0.9681641459465027} WEIGHT444A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS445the atoms involved in each of the contacts you wish to calculate=121,2575 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=1.0463056564331055} WEIGHT445A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS446the atoms involved in each of the contacts you wish to calculate=121,2579 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=0.8201524019241333} WEIGHT446A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS447the atoms involved in each of the contacts you wish to calculate=121,2623 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=0.9225538969039917} WEIGHT447A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS448the atoms involved in each of the contacts you wish to calculate=121,2625 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=0.793582558631897} WEIGHT448A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS449the atoms involved in each of the contacts you wish to calculate=121,2627 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=0.6958119869232178} WEIGHT449A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS450the atoms involved in each of the contacts you wish to calculate=121,2631 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=0.8384278416633606} WEIGHT450A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS451the atoms involved in each of the contacts you wish to calculate=123,650 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=0.782192051410675} WEIGHT451A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS452the atoms involved in each of the contacts you wish to calculate=123,652 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=0.8390645980834961} WEIGHT452A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS453the atoms involved in each of the contacts you wish to calculate=123,655 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=0.8928253650665283} WEIGHT453A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS454the atoms involved in each of the contacts you wish to calculate=123,656 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=0.8208436369895935} WEIGHT454A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS455the atoms involved in each of the contacts you wish to calculate=123,658 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=0.9050639271736145} WEIGHT455A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS456the atoms involved in each of the contacts you wish to calculate=123,660 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=1.0446804761886597} WEIGHT456A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS457the atoms involved in each of the contacts you wish to calculate=123,661 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=1.1398578882217407} WEIGHT457A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS458the atoms involved in each of the contacts you wish to calculate=123,663 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=1.1034516096115112} WEIGHT458A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS459the atoms involved in each of the contacts you wish to calculate=123,665 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=1.0323359966278076} WEIGHT459A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS460the atoms involved in each of the contacts you wish to calculate=123,697 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=0.8365718722343445} WEIGHT460A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS461the atoms involved in each of the contacts you wish to calculate=123,699 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=0.7195373773574829} WEIGHT461A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS462the atoms involved in each of the contacts you wish to calculate=123,701 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=0.7113716006278992} WEIGHT462A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS463the atoms involved in each of the contacts you wish to calculate=123,705 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=0.6048388481140137} WEIGHT463A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS464the atoms involved in each of the contacts you wish to calculate=123,2479 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=0.8371200561523438} WEIGHT464A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS465the atoms involved in each of the contacts you wish to calculate=123,2481 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=0.7023702263832092} WEIGHT465A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS466the atoms involved in each of the contacts you wish to calculate=123,2484 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=0.5859228372573853} WEIGHT466A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS467the atoms involved in each of the contacts you wish to calculate=123,2485 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=0.5053396224975586} WEIGHT467A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS468the atoms involved in each of the contacts you wish to calculate=123,2487 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=0.412972629070282} WEIGHT468A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS469the atoms involved in each of the contacts you wish to calculate=123,2489 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=0.42444077134132385} WEIGHT469A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS470the atoms involved in each of the contacts you wish to calculate=123,2491 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=0.5252939462661743} WEIGHT470A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS471the atoms involved in each of the contacts you wish to calculate=123,2493 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=0.5974696278572083} WEIGHT471A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS472the atoms involved in each of the contacts you wish to calculate=123,2568 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=0.8846786618232727} WEIGHT472A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS473the atoms involved in each of the contacts you wish to calculate=123,2570 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=0.901812732219696} WEIGHT473A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS474the atoms involved in each of the contacts you wish to calculate=123,2573 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=0.831169068813324} WEIGHT474A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS475the atoms involved in each of the contacts you wish to calculate=123,2575 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=0.9112550616264343} WEIGHT475A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS476the atoms involved in each of the contacts you wish to calculate=123,2579 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=0.6815426349639893} WEIGHT476A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS477the atoms involved in each of the contacts you wish to calculate=123,2623 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=0.80299311876297} WEIGHT477A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS478the atoms involved in each of the contacts you wish to calculate=123,2625 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=0.6660282611846924} WEIGHT478A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS479the atoms involved in each of the contacts you wish to calculate=123,2627 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=0.5731010437011719} WEIGHT479A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS480the atoms involved in each of the contacts you wish to calculate=123,2631 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=0.6970607042312622} WEIGHT480A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS481the atoms involved in each of the contacts you wish to calculate=126,650 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=0.6740875840187073} WEIGHT481A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS482the atoms involved in each of the contacts you wish to calculate=126,652 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=0.7519687414169312} WEIGHT482A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS483the atoms involved in each of the contacts you wish to calculate=126,655 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=0.8164317011833191} WEIGHT483A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS484the atoms involved in each of the contacts you wish to calculate=126,656 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=0.7569541931152344} WEIGHT484A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS485the atoms involved in each of the contacts you wish to calculate=126,658 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=0.8534671664237976} WEIGHT485A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS486the atoms involved in each of the contacts you wish to calculate=126,660 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=0.9890342950820923} WEIGHT486A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS487the atoms involved in each of the contacts you wish to calculate=126,661 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=1.0908738374710083} WEIGHT487A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS488the atoms involved in each of the contacts you wish to calculate=126,663 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=1.035347819328308} WEIGHT488A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS489the atoms involved in each of the contacts you wish to calculate=126,665 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=0.9556471109390259} WEIGHT489A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS490the atoms involved in each of the contacts you wish to calculate=126,697 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=0.7073206305503845} WEIGHT490A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS491the atoms involved in each of the contacts you wish to calculate=126,699 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=0.6023502349853516} WEIGHT491A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS492the atoms involved in each of the contacts you wish to calculate=126,701 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=0.6144015789031982} WEIGHT492A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS493the atoms involved in each of the contacts you wish to calculate=126,705 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=0.4765685796737671} WEIGHT493A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS494the atoms involved in each of the contacts you wish to calculate=126,2479 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=0.8602309823036194} WEIGHT494A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS495the atoms involved in each of the contacts you wish to calculate=126,2481 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=0.7190793752670288} WEIGHT495A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS496the atoms involved in each of the contacts you wish to calculate=126,2484 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=0.6224794983863831} WEIGHT496A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS497the atoms involved in each of the contacts you wish to calculate=126,2485 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=0.5263640284538269} WEIGHT497A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS498the atoms involved in each of the contacts you wish to calculate=126,2487 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=0.4592922031879425} WEIGHT498A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS499the atoms involved in each of the contacts you wish to calculate=126,2489 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=0.5120242238044739} WEIGHT499A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS500the atoms involved in each of the contacts you wish to calculate=126,2491 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=0.6165585517883301} WEIGHT500A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS501the atoms involved in each of the contacts you wish to calculate=126,2493 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=0.6655890941619873} WEIGHT501A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS502the atoms involved in each of the contacts you wish to calculate=126,2568 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=0.8766857981681824} WEIGHT502A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS503the atoms involved in each of the contacts you wish to calculate=126,2570 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=0.8715468049049377} WEIGHT503A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS504the atoms involved in each of the contacts you wish to calculate=126,2573 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=0.7983568906784058} WEIGHT504A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS505the atoms involved in each of the contacts you wish to calculate=126,2575 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=0.8584542870521545} WEIGHT505A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS506the atoms involved in each of the contacts you wish to calculate=126,2579 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=0.6456329822540283} WEIGHT506A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS507the atoms involved in each of the contacts you wish to calculate=126,2623 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=0.8304246664047241} WEIGHT507A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS508the atoms involved in each of the contacts you wish to calculate=126,2625 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=0.6830145120620728} WEIGHT508A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS509the atoms involved in each of the contacts you wish to calculate=126,2627 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=0.6144118905067444} WEIGHT509A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS510the atoms involved in each of the contacts you wish to calculate=126,2631 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=0.68622225522995} WEIGHT510A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS511the atoms involved in each of the contacts you wish to calculate=128,650 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=0.7581477761268616} WEIGHT511A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS512the atoms involved in each of the contacts you wish to calculate=128,652 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=0.8554502725601196} WEIGHT512A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS513the atoms involved in each of the contacts you wish to calculate=128,655 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=0.9271165132522583} WEIGHT513A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS514the atoms involved in each of the contacts you wish to calculate=128,656 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=0.874717116355896} WEIGHT514A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS515the atoms involved in each of the contacts you wish to calculate=128,658 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=0.9736707210540771} WEIGHT515A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS516the atoms involved in each of the contacts you wish to calculate=128,660 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=1.1059868335723877} WEIGHT516A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS517the atoms involved in each of the contacts you wish to calculate=128,661 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=1.2072521448135376} WEIGHT517A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS518the atoms involved in each of the contacts you wish to calculate=128,663 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=1.146892786026001} WEIGHT518A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS519the atoms involved in each of the contacts you wish to calculate=128,665 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=1.0638916492462158} WEIGHT519A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS520the atoms involved in each of the contacts you wish to calculate=128,697 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=0.7220583558082581} WEIGHT520A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS521the atoms involved in each of the contacts you wish to calculate=128,699 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=0.6422755718231201} WEIGHT521A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS522the atoms involved in each of the contacts you wish to calculate=128,701 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=0.6543450951576233} WEIGHT522A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS523the atoms involved in each of the contacts you wish to calculate=128,705 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=0.5121579766273499} WEIGHT523A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS524the atoms involved in each of the contacts you wish to calculate=128,2479 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=0.8159598708152771} WEIGHT524A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS525the atoms involved in each of the contacts you wish to calculate=128,2481 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=0.6848256587982178} WEIGHT525A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS526the atoms involved in each of the contacts you wish to calculate=128,2484 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=0.5893114805221558} WEIGHT526A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS527the atoms involved in each of the contacts you wish to calculate=128,2485 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=0.47012579441070557} WEIGHT527A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS528the atoms involved in each of the contacts you wish to calculate=128,2487 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=0.40698471665382385} WEIGHT528A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS529the atoms involved in each of the contacts you wish to calculate=128,2489 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=0.49016961455345154} WEIGHT529A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS530the atoms involved in each of the contacts you wish to calculate=128,2491 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=0.6084128022193909} WEIGHT530A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS531the atoms involved in each of the contacts you wish to calculate=128,2493 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=0.652619481086731} WEIGHT531A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS532the atoms involved in each of the contacts you wish to calculate=128,2568 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=0.923822820186615} WEIGHT532A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS533the atoms involved in each of the contacts you wish to calculate=128,2570 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=0.8984354734420776} WEIGHT533A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS534the atoms involved in each of the contacts you wish to calculate=128,2573 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=0.80366051197052} WEIGHT534A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS535the atoms involved in each of the contacts you wish to calculate=128,2575 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=0.8427123427391052} WEIGHT535A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS536the atoms involved in each of the contacts you wish to calculate=128,2579 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=0.6545048356056213} WEIGHT536A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS537the atoms involved in each of the contacts you wish to calculate=128,2623 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=0.9563765525817871} WEIGHT537A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS538the atoms involved in each of the contacts you wish to calculate=128,2625 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=0.8069111704826355} WEIGHT538A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS539the atoms involved in each of the contacts you wish to calculate=128,2627 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=0.7319132089614868} WEIGHT539A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS540the atoms involved in each of the contacts you wish to calculate=128,2631 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=0.7927771806716919} WEIGHT540A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS541the atoms involved in each of the contacts you wish to calculate=132,650 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=0.6248541474342346} WEIGHT541A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS542the atoms involved in each of the contacts you wish to calculate=132,652 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=0.7054826617240906} WEIGHT542A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS543the atoms involved in each of the contacts you wish to calculate=132,655 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=0.7470299005508423} WEIGHT543A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS544the atoms involved in each of the contacts you wish to calculate=132,656 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=0.6720048189163208} WEIGHT544A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS545the atoms involved in each of the contacts you wish to calculate=132,658 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=0.7558314800262451} WEIGHT545A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS546the atoms involved in each of the contacts you wish to calculate=132,660 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=0.8915748596191406} WEIGHT546A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS547the atoms involved in each of the contacts you wish to calculate=132,661 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=0.9842422008514404} WEIGHT547A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS548the atoms involved in each of the contacts you wish to calculate=132,663 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=0.9485070705413818} WEIGHT548A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS549the atoms involved in each of the contacts you wish to calculate=132,665 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=0.8826574087142944} WEIGHT549A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS550the atoms involved in each of the contacts you wish to calculate=132,697 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=0.5988277792930603} WEIGHT550A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS551the atoms involved in each of the contacts you wish to calculate=132,699 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=0.48210594058036804} WEIGHT551A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS552the atoms involved in each of the contacts you wish to calculate=132,701 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=0.47332215309143066} WEIGHT552A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS553the atoms involved in each of the contacts you wish to calculate=132,705 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=0.3725535571575165} WEIGHT553A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS554the atoms involved in each of the contacts you wish to calculate=132,2479 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=0.7940719723701477} WEIGHT554A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS555the atoms involved in each of the contacts you wish to calculate=132,2481 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=0.6449107527732849} WEIGHT555A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS556the atoms involved in each of the contacts you wish to calculate=132,2484 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=0.5732763409614563} WEIGHT556A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS557the atoms involved in each of the contacts you wish to calculate=132,2485 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=0.4970130920410156} WEIGHT557A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS558the atoms involved in each of the contacts you wish to calculate=132,2487 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=0.4672197699546814} WEIGHT558A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS559the atoms involved in each of the contacts you wish to calculate=132,2489 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=0.5294206142425537} WEIGHT559A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS560the atoms involved in each of the contacts you wish to calculate=132,2491 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=0.6085144281387329} WEIGHT560A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS561the atoms involved in each of the contacts you wish to calculate=132,2493 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=0.6275779008865356} WEIGHT561A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS562the atoms involved in each of the contacts you wish to calculate=132,2568 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=0.7343629598617554} WEIGHT562A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS563the atoms involved in each of the contacts you wish to calculate=132,2570 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=0.7264589071273804} WEIGHT563A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS564the atoms involved in each of the contacts you wish to calculate=132,2573 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=0.6623233556747437} WEIGHT564A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS565the atoms involved in each of the contacts you wish to calculate=132,2575 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=0.726473867893219} WEIGHT565A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS566the atoms involved in each of the contacts you wish to calculate=132,2579 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=0.510424017906189} WEIGHT566A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS567the atoms involved in each of the contacts you wish to calculate=132,2623 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=0.7237225770950317} WEIGHT567A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS568the atoms involved in each of the contacts you wish to calculate=132,2625 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=0.5722167491912842} WEIGHT568A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS569the atoms involved in each of the contacts you wish to calculate=132,2627 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=0.5123468041419983} WEIGHT569A weight value for a given contact, by default is 1=0.0017543859649122807
ATOMS570the atoms involved in each of the contacts you wish to calculate=132,2631 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=0.5535756945610046} WEIGHT570A weight value for a given contact, by default is 1=0.0017543859649122807
LABELa label for the action so that its output can be referenced in the input to other actions=qtyraThe CONTACTMAP action with label qtyra calculates the following quantities:
 Quantity   
 Type   
 Description  
qtyra
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=73,584 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=1.0104904174804688} 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=73,586 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=0.9691793918609619} 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=73,588 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=0.8419557213783264} 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=73,592 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=0.9758177995681763} 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=73,650 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=0.9309435486793518} 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=73,652 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=0.9082626700401306} 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=73,655 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=0.9031504392623901} 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=73,656 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=0.800478458404541} 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=73,658 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=0.8262046575546265} 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=73,660 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=0.9544553756713867} 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=73,661 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=1.0169137716293335} 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=73,663 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=1.0473077297210693} 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=73,665 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=1.0195348262786865} 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=73,2623 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=0.5388705730438232} 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=73,2625 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=0.48216524720191956} 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=73,2627 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=0.395525187253952} 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=73,2631 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=0.6100140810012817} 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=73,2670 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=0.6875495910644531} 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=73,2672 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=0.5441213250160217} 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=73,2675 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=0.5434494614601135} 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=73,2678 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=0.6727513074874878} 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=73,2679 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=0.7739260196685791} 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=73,2680 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=0.7069159746170044} 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=73,2687 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=0.7936853170394897} 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=73,2689 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=0.8234379887580872} 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=73,2692 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=0.8289691209793091} 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=73,2695 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=0.9747817516326904} 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=73,2698 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=1.016952395439148} 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=73,2700 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=1.03352952003479} 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=73,2701 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=1.0054712295532227} 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=73,2704 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=1.1031029224395752} 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=75,584 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=1.0233336687088013} 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=75,586 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=0.962285578250885} 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=75,588 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=0.824657678604126} 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=75,592 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=0.9709404110908508} 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=75,650 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=0.9557713270187378} 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=75,652 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=0.9094404578208923} 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=75,655 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=0.8884962201118469} 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=75,656 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=0.7862153649330139} 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=75,658 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=0.7945192456245422} 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=75,660 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=0.9109082818031311} 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=75,661 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=0.9635561108589172} 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=75,663 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=1.0070005655288696} 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=75,665 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=0.9915522933006287} 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=75,2623 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=0.49890923500061035} 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=75,2625 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=0.4806707203388214} 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=75,2627 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=0.4315405786037445} 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=75,2631 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=0.6263275146484375} 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=75,2670 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=0.5442600250244141} 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=75,2672 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=0.3985207974910736} 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=75,2675 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=0.41199761629104614} 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=75,2678 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=0.5404636859893799} 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=75,2679 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=0.6467627882957458} 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=75,2680 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=0.5697199702262878} 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=75,2687 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=0.6806606650352478} 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=75,2689 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=0.7315550446510315} 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=75,2692 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=0.7523897886276245} 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=75,2695 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=0.8971298933029175} 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=75,2698 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=0.949770987033844} 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=75,2700 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=0.9614227414131165} 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=75,2701 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=0.9177216291427612} 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=75,2704 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=1.042278528213501} 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=78,584 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=0.8953778743743896} 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=78,586 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=0.826436460018158} 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=78,588 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=0.6846020817756653} 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=78,592 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=0.841319739818573} 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=78,650 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=0.8566506505012512} 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=78,652 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=0.7954189777374268} 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=78,655 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=0.779197633266449} 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=78,656 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=0.6903489828109741} 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=78,658 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=0.7073019742965698} 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=78,660 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=0.8185909986495972} 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=78,661 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=0.8821538686752319} 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=78,663 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=0.9021505117416382} 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=78,665 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=0.8788227438926697} 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=78,2623 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=0.5147303938865662} 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=78,2625 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=0.48978909850120544} 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=78,2627 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=0.4794395864009857} 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=78,2631 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=0.6308432221412659} 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=78,2670 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=0.5071703791618347} 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=78,2672 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=0.38238435983657837} 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=78,2675 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=0.44780001044273376} 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=78,2678 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=0.5822161436080933} 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=78,2679 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=0.6853764653205872} 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=78,2680 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=0.6104338765144348} 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=78,2687 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=0.5681637525558472} 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=78,2689 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=0.6173281073570251} 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=78,2692 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=0.6211035251617432} 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=78,2695 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=0.7613497972488403} 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=78,2698 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=0.80573970079422} 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=78,2700 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=0.8127626776695251} 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=78,2701 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=0.7709037661552429} 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=78,2704 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=0.8918531537055969} 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=79,584 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=0.87324059009552} 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=79,586 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=0.8051860928535461} 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=79,588 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=0.6557267904281616} 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=79,592 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=0.8417174816131592} 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=79,650 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=0.7754189372062683} 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=79,652 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=0.7017617225646973} 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=79,655 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=0.6671515703201294} 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=79,656 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=0.5750181674957275} 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=79,658 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=0.5793154835700989} 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=79,660 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=0.684518575668335} 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=79,661 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=0.7448719143867493} 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=79,663 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=0.771101713180542} 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=79,665 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=0.7575629353523254} 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=79,2623 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=0.43549710512161255} 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=79,2625 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=0.42063960433006287} 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=79,2627 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=0.45383113622665405} 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=79,2631 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=0.5564976930618286} 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=79,2670 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=0.43737632036209106} 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=79,2672 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=0.3410423994064331} 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=79,2675 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=0.4256419837474823} 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=79,2678 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=0.5683361291885376} 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=79,2679 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=0.6552764773368835} 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=79,2680 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=0.6172581315040588} 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=79,2687 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=0.4459441602230072} 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=79,2689 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=0.48267608880996704} 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=79,2692 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=0.4962373971939087} 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=79,2695 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=0.6417738199234009} 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=79,2698 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=0.7006986141204834} 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=79,2700 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=0.7232404351234436} 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=79,2701 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=0.6868088245391846} 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=79,2704 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=0.814084529876709} 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=81,584 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=0.7752840518951416} 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=81,586 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=0.6959519386291504} 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=81,588 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=0.54373699426651} 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=81,592 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=0.739473283290863} 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=81,650 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=0.7221040725708008} 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=81,652 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=0.6284149289131165} 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=81,655 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=0.5999292135238647} 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=81,656 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=0.5315840244293213} 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=81,658 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=0.545782208442688} 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=81,660 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=0.6372515559196472} 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=81,661 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=0.708910346031189} 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=81,663 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=0.7040637135505676} 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=81,665 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=0.6811647415161133} 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=81,2623 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=0.5294727683067322} 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=81,2625 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=0.512668788433075} 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=81,2627 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=0.5677062273025513} 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=81,2631 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=0.6317002177238464} 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=81,2670 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=0.4613306224346161} 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=81,2672 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=0.40188300609588623} 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=81,2675 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=0.5175354480743408} 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=81,2678 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=0.6488434076309204} 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=81,2679 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=0.730585515499115} 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=81,2680 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=0.6888392567634583} 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=81,2687 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=0.3645520508289337} 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=81,2689 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=0.40052488446235657} 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=81,2692 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=0.38619619607925415} 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=81,2695 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=0.5229702591896057} 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=81,2698 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=0.5706301927566528} 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=81,2700 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=0.5851844549179077} 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=81,2701 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=0.5488705039024353} 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=81,2704 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=0.6755515336990356} 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=83,584 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=0.6959714889526367} 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=83,586 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=0.6005781888961792} 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=83,588 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=0.452443391084671} 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=83,592 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=0.626295268535614} 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=83,650 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=0.7567639350891113} 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=83,652 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=0.660020112991333} 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=83,655 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=0.658077597618103} 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=83,656 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=0.6139795184135437} 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=83,658 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=0.6478961110115051} 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=83,660 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=0.7335739731788635} 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=83,661 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=0.8154194355010986} 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=83,663 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=0.7802172303199768} 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=83,665 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=0.7394839525222778} 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=83,2623 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=0.6664283871650696} 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=83,2625 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=0.6408188343048096} 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=83,2627 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=0.6807906031608582} 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=83,2631 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=0.7577747702598572} 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=83,2670 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=0.5467894673347473} 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=83,2672 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=0.4871581196784973} 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=83,2675 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=0.6119329929351807} 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=83,2678 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=0.7316069602966309} 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=83,2679 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=0.8228038549423218} 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=83,2680 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=0.7492292523384094} 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=83,2687 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=0.43351006507873535} 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=83,2689 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=0.4815652370452881} 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=83,2692 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=0.43436673283576965} 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=83,2695 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=0.5467674732208252} 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=83,2698 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=0.5619409680366516} 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=83,2700 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=0.5459465384483337} 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=83,2701 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=0.5026307702064514} 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=83,2704 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=0.6183369755744934} 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=84,584 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=0.6359981298446655} 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=84,586 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=0.5245013236999512} 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=84,588 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=0.3791157007217407} 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=84,592 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=0.5582054853439331} 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=84,650 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=0.7489091157913208} 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=84,652 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=0.634943962097168} 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=84,655 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=0.6382222175598145} 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=84,656 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=0.6211105585098267} 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=84,658 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=0.6585385799407959} 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=84,660 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=0.7242143750190735} 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=84,661 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=0.8102027773857117} 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=84,663 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=0.7491664886474609} 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=84,665 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=0.7025509476661682} 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=84,2623 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=0.7613797187805176} 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=84,2625 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=0.7393909096717834} 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=84,2627 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=0.7952523231506348} 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=84,2631 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=0.8447737097740173} 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=84,2670 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=0.6004908680915833} 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=84,2672 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=0.5712877511978149} 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=84,2675 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=0.7087430953979492} 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=84,2678 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=0.8185679912567139} 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=84,2679 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=0.9021114706993103} 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=84,2680 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=0.8321413993835449} 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=84,2687 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=0.41042545437812805} 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=84,2689 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=0.45511651039123535} 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=84,2692 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=0.38046836853027344} 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=84,2695 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=0.4625239968299866} 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=84,2698 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=0.45681431889533997} 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=84,2700 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=0.42154377698898315} 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=84,2701 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=0.37417587637901306} 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=84,2704 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=0.490617960691452} 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=86,584 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=0.7240015268325806} 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=86,586 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=0.6307170987129211} 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=86,588 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=0.49542808532714844} 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=86,592 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=0.6283707618713379} 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=86,650 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=0.8365533351898193} 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=86,652 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=0.7566362619400024} 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=86,655 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=0.7693386673927307} 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=86,656 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=0.7203338742256165} 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=86,658 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=0.7620297074317932} 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=86,660 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=0.8583394289016724} 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=86,661 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=0.9409445524215698} 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=86,663 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=0.9087017178535461} 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=86,665 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=0.8619062304496765} 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=86,2623 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=0.7169845700263977} 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=86,2625 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=0.6834959983825684} 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=86,2627 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=0.692775547504425} 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=86,2631 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=0.8089070916175842} 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=86,2670 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=0.6060764789581299} 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=86,2672 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=0.5181207060813904} 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=86,2675 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=0.6273994445800781} 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=86,2678 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=0.7430940270423889} 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=86,2679 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=0.8474751710891724} 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=86,2680 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=0.7452439069747925} 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=86,2687 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=0.5610818266868591} 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=86,2689 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=0.617644727230072} 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=86,2692 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=0.5742668509483337} 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=86,2695 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=0.6853440403938293} 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=86,2698 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=0.6910494565963745} 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=86,2700 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=0.6638144850730896} 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=86,2701 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=0.6176127791404724} 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=86,2704 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=0.7214447855949402} 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=88,584 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=0.8257133960723877} 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=88,586 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=0.7469635605812073} 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=88,588 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=0.6138039827346802} 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=88,592 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=0.7426144480705261} 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=88,650 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=0.8834666013717651} 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=88,652 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=0.8192144632339478} 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=88,655 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=0.8241855502128601} 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=88,656 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=0.7545161843299866} 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=88,658 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=0.7885397672653198} 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=88,660 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=0.8964353203773499} 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=88,661 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=0.9711530804634094} 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=88,663 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=0.9638135433197021} 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=88,665 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=0.9252039194107056} 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=88,2623 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=0.6527144312858582} 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=88,2625 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=0.6190008521080017} 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=88,2627 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=0.6037590503692627} 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=88,2631 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=0.7534478902816772} 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=88,2670 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=0.589590311050415} 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=88,2672 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=0.47330838441848755} 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=88,2675 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=0.5550546646118164} 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=88,2678 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=0.6750070452690125} 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=88,2679 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=0.7850998640060425} 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=88,2680 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=0.6800620555877686} 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=88,2687 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=0.6187803149223328} 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=88,2689 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=0.6758143901824951} 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=88,2692 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=0.6547264456748962} 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=88,2695 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=0.7811508774757385} 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=88,2698 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=0.8025594353675842} 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=88,2700 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=0.7883719801902771} 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=88,2701 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=0.7429414987564087} 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=88,2704 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=0.8522601127624512} 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=1.5415784120559692
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=-1.1005675792694092
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=-1.1071521043777466
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=-0.5905115008354187
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=-0.9004539251327515
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=-0.6792753338813782
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=-1.3559045791625977
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=-0.643721342086792
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=-1.0945172309875488
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=-0.8885443210601807
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=-1.2611130475997925
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=-0.6172705888748169
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=-0.96987384557724
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=-0.5412485599517822
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=-1.4444003105163574
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=-0.9746055006980896
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=1.5415784120559692
# ATOMS2=18,20,23,25 REFERENCE2=-1.1005675792694092
# ATOMS3=23,25,27,35 REFERENCE3=-1.1071521043777466
# ATOMS4=25,27,35,37 REFERENCE4=-0.5905115008354187
# ATOMS5=35,37,39,50 REFERENCE5=-0.9004539251327515
# ATOMS6=37,39,50,52 REFERENCE6=-0.6792753338813782
# ATOMS7=50,52,54,69 REFERENCE7=-1.3559045791625977
# ATOMS8=52,54,69,71 REFERENCE8=-0.643721342086792
# ATOMS9=69,71,73,90 REFERENCE9=-1.0945172309875488
# ATOMS10=71,73,90,92 REFERENCE10=-0.8885443210601807
# ATOMS11=90,92,94,105 REFERENCE11=-1.2611130475997925
# ATOMS12=92,94,105,107 REFERENCE12=-0.6172705888748169
# ATOMS13=105,107,109,117 REFERENCE13=-0.96987384557724
# ATOMS14=107,109,117,119 REFERENCE14=-0.5412485599517822
# ATOMS15=117,119,121,136 REFERENCE15=-1.4444003105163574
# ATOMS16=119,121,136,138 REFERENCE16=-0.9746055006980896
# 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=1.5415784120559692,-1.1005675792694092,-1.1071521043777466,-0.5905115008354187,-0.9004539251327515,-0.6792753338813782,-1.3559045791625977,-0.643721342086792,-1.0945172309875488,-0.8885443210601807,-1.2611130475997925,-0.6172705888748169,-0.96987384557724,-0.5412485599517822,-1.4444003105163574,-0.9746055006980896
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 --- 
hhThe ALPHARMSD action with label hh calculates the following quantities:
 Quantity   
 Type   
 Description  
hh
scalar
if LESS_THAN is present the RMSD distance between each residue and the ideal alpha helix.  If LESS_THAN is not present the number of residue segments where the structure is similar to an alpha helix: ALPHARMSDProbe the alpha helical content of a protein structure. This action is a shortcut and it has hidden defaults. More details RESIDUESthis command is used to specify the set of residues that could conceivably form part of the secondary structure=1-9 TYPE the manner in which RMSD alignment is performed=DRMSD R_0The r_0 parameter of the switching function=0.1 NN The n parameter of the switching function=6 MM The m parameter of the switching function=12
hh: ALPHARMSDProbe the alpha helical content of a protein structure. This action is a shortcut and uses the defaults shown here. More details RESIDUESthis command is used to specify the set of residues that could conceivably form part of the secondary structure=1-9 TYPE the manner in which RMSD alignment is performed=DRMSD R_0The r_0 parameter of the switching function=0.1 NN The n parameter of the switching function=6 MM The m parameter of the switching function=12  D_0 The d_0 parameter of the switching function=0.0
# PLUMED interprets the command:
# hh: ALPHARMSD RESIDUES=1-9 TYPE=DRMSD R_0=0.1 NN=6 MM=12
# as follows (Click the red comment above to revert to the short version of the input):
hh_rmsdThe SECONDARY_STRUCTURE_RMSD action with label hh_rmsd calculates the following quantities:
 Quantity   
 Type   
 Description  
hh_rmsd
vector
a vector containing the rmsd distance between each of the residue segments and the reference structure: SECONDARY_STRUCTURE_RMSDCalclulate the distance between segments of a protein and a reference structure of interest More details BONDLENGTHthe length to use for bonds=0.17 SEGMENT1this is the lists of atoms in the segment that are being considered=0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29 SEGMENT2this is the lists of atoms in the segment that are being considered=5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34 SEGMENT3this is the lists of atoms in the segment that are being considered=10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39 SEGMENT4this is the lists of atoms in the segment that are being considered=15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44 STRUCTURE1the reference structure=0.733,0.519,5.298,1.763,0.81,4.301,3.166,0.543,4.881,1.527,-0.045,3.053,1.646,0.436,1.928,1.18,-1.312,3.254,0.924,-2.203,2.126,0.65,-3.626,2.626,-0.239,-1.711,1.261,-0.19,-1.815,0.032,-1.28,-1.172,1.891,-2.416,-0.661,1.127,-3.548,-0.217,2.056,-1.964,0.529,0.276,-2.364,0.659,-0.88,-1.13,1.391,0.856,-0.62,2.565,0.148,0.228,3.439,1.077,0.231,2.129,-1.032,0.179,2.733,-2.099,1.028,1.084,-0.833,1.872,0.593,-1.919,2.85,-0.462,-1.397,1.02,0.02,-3.049,1.317,0.227,-4.224,-0.051,-0.684,-2.696,-0.927,-1.261,-3.713,-1.933,-2.219,-3.074,-1.663,-0.171,-4.475,-1.916,-0.296,-5.673 ATOMSthis is the full list of atoms that we are investigating=1,5,7,16,17,18,20,22,23,24,25,27,29,35,36,37,39,41,50,51,52,54,56,69,70,71,73,75,90,91,92,94,96,105,106,107,109,111,117,118,119,121,123,136,137 TYPE the manner in which RMSD alignment is performed=DRMSD
hh_ltThe LESS_THAN action with label hh_lt calculates the following quantities:
 Quantity   
 Type   
 Description  
hh_lt
vector
the vector obtained by doing an element-wise application of a function that is one if the input is less than a threshold to the input vectors: LESS_THANUse a switching function to determine how many of the input variables are less than a certain cutoff. More details ARGthe values input to this function=hh_rmsd SWITCHThis keyword is used if you want to employ an alternative to the continuous swiching function defined above={RATIONAL R_0=0.1 D_0=0.0 NN=6 MM=12}
hhThe SUM action with label hh calculates the following quantities:
 Quantity   
 Type   
 Description  
hh
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=hh_lt PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
# --- End of included input --- 
PBMETADUsed to performed Parallel Bias metadynamics. More details ...
 LABELa label for the action so that its output can be referenced in the input to other actions=pbmetadThe PBMETAD action with label pbmetad calculates the following quantities:
 Quantity   
 Type   
 Description  
pbmetad.bias
scalar
the instantaneous value of the bias potential
 WALKERS_MPI Switch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIR
 ARGthe labels of the scalars on which the bias will act=qh,qtyr,qtyra,ab,hh
 PACEthe frequency for hill addition, one for all biases=500
 HEIGHTthe height of the Gaussian hills, one for all biases=1.
 BIASFACTORuse well tempered metadynamics with this bias factor, one for all biases=44
 SIGMAthe widths of the Gaussian hills=0.02,0.02,0.02,0.3,0.04
 GRID_MINthe lower bounds for the grid=0.,0.,0.,0.,0.
 GRID_MAXthe upper bounds for the grid=1.,1.,1.,16.,4.
 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300
... PBMETAD