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
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
hhALPHARMSDProbe 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