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
tested onv2.10
tested onmaster
RESTARTActivate restart. More details

MOLINFOThis command is used to provide information on the molecules that are present in your system. More details STRUCTUREa file in pdb format containing a reference structure=../topologies/cry_disp.pdb prot: GROUPDefine a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details ATOMSthe numerical indexes for the set of atoms in the group=1-3436 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=qh 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=qtyra 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=qtyr SUM calculate the sum of all the contacts in the input NOPBC ignore the periodic boundary conditions when calculating distances ... CONTACTMAP
ALPHABETAMeasures a distance including pbc between the instantaneous values of a set of torsional angles and set of reference values. This action is a shortcut. More details ... ATOMS1the atoms involved for each of the torsions you wish to calculate=16,18,20,23 REFERENCE1the reference values for each of the torsional angles=1.5415784120559692 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=ab ... ALPHABETA
hh: 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
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=pbmetad 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