PLUMED-NEST

Project ID: plumID:21.017
Source: plumed/md/shootings.dat
Originally used with PLUMED version: 2.5
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

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

MOLINFOThis command is used to provide information on the molecules that are present in your system. More details STRUCTUREa file in pdb format containing a reference structure=../topologies/cry_disp.pdb
The MOLINFO action with label  calculates somethingprotThe GROUP action with label prot calculates the following quantities:
 Quantity   
 Type   
 Description  
prot
atoms
indices of atoms specified in GROUP: GROUPDefine a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details ATOMSthe numerical indexes for the set of atoms in the group=1-3436
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=0.0012903225806451613
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=0.0012903225806451613
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=0.0012903225806451613
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=0.0012903225806451613
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=0.0012903225806451613
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=0.0012903225806451613
ATOMS7the atoms involved in each of the contacts you wish to calculate=13,2546 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=0.5190422534942627} WEIGHT7A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS8the atoms involved in each of the contacts you wish to calculate=13,2614 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=0.4613436460494995} WEIGHT8A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS9the atoms involved in each of the contacts you wish to calculate=13,2615 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=0.452181339263916} WEIGHT9A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS10the atoms involved in each of the contacts you wish to calculate=14,62 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=0.5936009287834167} WEIGHT10A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS11the atoms involved in each of the contacts you wish to calculate=14,2546 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=0.48446276783943176} WEIGHT11A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS12the atoms involved in each of the contacts you wish to calculate=14,2562 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=0.5097001194953918} WEIGHT12A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS13the atoms involved in each of the contacts you wish to calculate=14,2611 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=0.5882064700126648} WEIGHT13A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS14the atoms involved in each of the contacts you wish to calculate=14,2614 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=0.4207860827445984} WEIGHT14A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS15the atoms involved in each of the contacts you wish to calculate=14,2615 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=0.4133533835411072} WEIGHT15A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS16the atoms involved in each of the contacts you wish to calculate=15,2546 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=0.49514731764793396} WEIGHT16A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS17the atoms involved in each of the contacts you wish to calculate=15,2614 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=0.5561921000480652} WEIGHT17A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS18the atoms involved in each of the contacts you wish to calculate=15,2615 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=0.5145383477210999} WEIGHT18A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS19the atoms involved in each of the contacts you wish to calculate=16,2614 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=0.5202739238739014} WEIGHT19A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS20the atoms involved in each of the contacts you wish to calculate=17,2678 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=0.5749780535697937} WEIGHT20A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS21the atoms involved in each of the contacts you wish to calculate=17,2679 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=0.5931851267814636} WEIGHT21A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS22the atoms involved in each of the contacts you wish to calculate=17,2680 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=0.5596337914466858} WEIGHT22A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS23the atoms involved in each of the contacts you wish to calculate=18,2608 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=0.5085017085075378} WEIGHT23A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS24the atoms involved in each of the contacts you wish to calculate=18,2611 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=0.5004380345344543} WEIGHT24A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS25the atoms involved in each of the contacts you wish to calculate=18,2614 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=0.41073325276374817} WEIGHT25A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS26the atoms involved in each of the contacts you wish to calculate=18,2615 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=0.555889904499054} WEIGHT26A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS27the atoms involved in each of the contacts you wish to calculate=20,71 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=0.5953109860420227} WEIGHT27A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS28the atoms involved in each of the contacts you wish to calculate=20,2606 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=0.5293876528739929} WEIGHT28A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS29the atoms involved in each of the contacts you wish to calculate=20,2608 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=0.3991015553474426} WEIGHT29A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS30the atoms involved in each of the contacts you wish to calculate=20,2611 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=0.4267391562461853} WEIGHT30A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS31the atoms involved in each of the contacts you wish to calculate=20,2614 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=0.384861022233963} WEIGHT31A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS32the atoms involved in each of the contacts you wish to calculate=20,2615 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=0.55092453956604} WEIGHT32A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS33the atoms involved in each of the contacts you wish to calculate=20,2619 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=0.567723274230957} WEIGHT33A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS34the atoms involved in each of the contacts you wish to calculate=20,2620 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=0.5740474462509155} WEIGHT34A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS35the atoms involved in each of the contacts you wish to calculate=20,2675 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=0.5158069133758545} WEIGHT35A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS36the atoms involved in each of the contacts you wish to calculate=20,2678 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=0.5013919472694397} WEIGHT36A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS37the atoms involved in each of the contacts you wish to calculate=20,2679 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=0.5244279503822327} WEIGHT37A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS38the atoms involved in each of the contacts you wish to calculate=20,2680 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=0.5442516803741455} WEIGHT38A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS39the atoms involved in each of the contacts you wish to calculate=23,71 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=0.4722512364387512} WEIGHT39A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS40the atoms involved in each of the contacts you wish to calculate=23,73 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=0.5677766799926758} WEIGHT40A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS41the atoms involved in each of the contacts you wish to calculate=23,75 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=0.5222311019897461} WEIGHT41A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS42the atoms involved in each of the contacts you wish to calculate=23,2606 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=0.5827943682670593} WEIGHT42A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS43the atoms involved in each of the contacts you wish to calculate=23,2608 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=0.46802353858947754} WEIGHT43A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS44the atoms involved in each of the contacts you wish to calculate=23,2611 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=0.5313400626182556} WEIGHT44A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS45the atoms involved in each of the contacts you wish to calculate=23,2614 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=0.49840518832206726} WEIGHT45A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS46the atoms involved in each of the contacts you wish to calculate=23,2619 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=0.5852264165878296} WEIGHT46A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS47the atoms involved in each of the contacts you wish to calculate=23,2620 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=0.586176335811615} WEIGHT47A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS48the atoms involved in each of the contacts you wish to calculate=23,2672 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=0.5724631547927856} WEIGHT48A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS49the atoms involved in each of the contacts you wish to calculate=23,2675 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=0.4418203830718994} WEIGHT49A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS50the atoms involved in each of the contacts you wish to calculate=23,2678 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=0.44946226477622986} WEIGHT50A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS51the atoms involved in each of the contacts you wish to calculate=23,2679 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=0.5072013139724731} WEIGHT51A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS52the atoms involved in each of the contacts you wish to calculate=23,2680 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=0.4773576855659485} WEIGHT52A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS53the atoms involved in each of the contacts you wish to calculate=24,71 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=0.36075639724731445} WEIGHT53A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS54the atoms involved in each of the contacts you wish to calculate=24,73 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=0.4602675437927246} WEIGHT54A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS55the atoms involved in each of the contacts you wish to calculate=24,75 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=0.4309259355068207} WEIGHT55A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS56the atoms involved in each of the contacts you wish to calculate=24,78 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=0.5696892142295837} WEIGHT56A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS57the atoms involved in each of the contacts you wish to calculate=24,90 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=0.5759915709495544} WEIGHT57A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS58the atoms involved in each of the contacts you wish to calculate=24,92 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=0.5737916827201843} WEIGHT58A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS59the atoms involved in each of the contacts you wish to calculate=24,2606 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=0.5465536713600159} WEIGHT59A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS60the atoms involved in each of the contacts you wish to calculate=24,2608 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=0.4407060742378235} WEIGHT60A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS61the atoms involved in each of the contacts you wish to calculate=24,2611 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=0.5248677134513855} WEIGHT61A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS62the atoms involved in each of the contacts you wish to calculate=24,2614 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=0.5014955401420593} WEIGHT62A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS63the atoms involved in each of the contacts you wish to calculate=24,2619 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=0.5348827242851257} WEIGHT63A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS64the atoms involved in each of the contacts you wish to calculate=24,2620 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=0.5512351393699646} WEIGHT64A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS65the atoms involved in each of the contacts you wish to calculate=24,2621 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=0.5498201847076416} WEIGHT65A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS66the atoms involved in each of the contacts you wish to calculate=24,2623 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=0.5609894394874573} WEIGHT66A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS67the atoms involved in each of the contacts you wish to calculate=24,2627 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=0.5207704305648804} WEIGHT67A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS68the atoms involved in each of the contacts you wish to calculate=24,2672 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=0.5424293279647827} WEIGHT68A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS69the atoms involved in each of the contacts you wish to calculate=24,2675 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=0.42329293489456177} WEIGHT69A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS70the atoms involved in each of the contacts you wish to calculate=24,2678 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=0.47217997908592224} WEIGHT70A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS71the atoms involved in each of the contacts you wish to calculate=24,2679 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=0.5396524667739868} WEIGHT71A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS72the atoms involved in each of the contacts you wish to calculate=24,2680 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=0.515897274017334} WEIGHT72A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS73the atoms involved in each of the contacts you wish to calculate=25,2608 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=0.5896017551422119} WEIGHT73A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS74the atoms involved in each of the contacts you wish to calculate=25,2672 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=0.5636327862739563} WEIGHT74A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS75the atoms involved in each of the contacts you wish to calculate=25,2675 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=0.4471566081047058} WEIGHT75A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS76the atoms involved in each of the contacts you wish to calculate=25,2678 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=0.42888006567955017} WEIGHT76A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS77the atoms involved in each of the contacts you wish to calculate=25,2679 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=0.5004608631134033} WEIGHT77A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS78the atoms involved in each of the contacts you wish to calculate=25,2680 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=0.4185190498828888} WEIGHT78A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS79the atoms involved in each of the contacts you wish to calculate=27,92 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=0.5413738489151001} WEIGHT79A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS80the atoms involved in each of the contacts you wish to calculate=27,99 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=0.5550334453582764} WEIGHT80A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS81the atoms involved in each of the contacts you wish to calculate=27,2672 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=0.516051173210144} WEIGHT81A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS82the atoms involved in each of the contacts you wish to calculate=27,2675 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=0.4324117600917816} WEIGHT82A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS83the atoms involved in each of the contacts you wish to calculate=27,2678 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=0.4340057075023651} WEIGHT83A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS84the atoms involved in each of the contacts you wish to calculate=27,2679 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=0.5321541428565979} WEIGHT84A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS85the atoms involved in each of the contacts you wish to calculate=27,2680 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=0.4001438617706299} WEIGHT85A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS86the atoms involved in each of the contacts you wish to calculate=27,2760 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=0.5404572486877441} WEIGHT86A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS87the atoms involved in each of the contacts you wish to calculate=29,99 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=0.5563212037086487} WEIGHT87A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS88the atoms involved in each of the contacts you wish to calculate=29,2672 SWITCH88The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650114417076111} WEIGHT88A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS89the atoms involved in each of the contacts you wish to calculate=29,2675 SWITCH89The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5007882118225098} WEIGHT89A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS90the atoms involved in each of the contacts you wish to calculate=29,2678 SWITCH90The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46722137928009033} WEIGHT90A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS91the atoms involved in each of the contacts you wish to calculate=29,2679 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=0.5638341307640076} WEIGHT91A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS92the atoms involved in each of the contacts you wish to calculate=29,2680 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=0.3904639184474945} WEIGHT92A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS93the atoms involved in each of the contacts you wish to calculate=29,2757 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=0.5927574038505554} WEIGHT93A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS94the atoms involved in each of the contacts you wish to calculate=29,2760 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=0.49213939905166626} WEIGHT94A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS95the atoms involved in each of the contacts you wish to calculate=32,99 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=0.5191494226455688} WEIGHT95A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS96the atoms involved in each of the contacts you wish to calculate=32,102 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=0.5889125466346741} WEIGHT96A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS97the atoms involved in each of the contacts you wish to calculate=32,2672 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=0.5022460222244263} WEIGHT97A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS98the atoms involved in each of the contacts you wish to calculate=32,2675 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=0.47684159874916077} WEIGHT98A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS99the atoms involved in each of the contacts you wish to calculate=32,2678 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=0.4437395930290222} WEIGHT99A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS100the atoms involved in each of the contacts you wish to calculate=32,2679 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=0.550187349319458} WEIGHT100A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS101the atoms involved in each of the contacts you wish to calculate=32,2680 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=0.34333813190460205} WEIGHT101A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS102the atoms involved in each of the contacts you wish to calculate=32,2754 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=0.5969977378845215} WEIGHT102A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS103the atoms involved in each of the contacts you wish to calculate=32,2757 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=0.4662296772003174} WEIGHT103A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS104the atoms involved in each of the contacts you wish to calculate=32,2760 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=0.35084468126296997} WEIGHT104A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS105the atoms involved in each of the contacts you wish to calculate=33,92 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=0.5789807438850403} WEIGHT105A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS106the atoms involved in each of the contacts you wish to calculate=33,99 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=0.513350784778595} WEIGHT106A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS107the atoms involved in each of the contacts you wish to calculate=33,102 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=0.5722209811210632} WEIGHT107A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS108the atoms involved in each of the contacts you wish to calculate=33,2668 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=0.5915659666061401} WEIGHT108A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS109the atoms involved in each of the contacts you wish to calculate=33,2670 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=0.4922378659248352} WEIGHT109A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS110the atoms involved in each of the contacts you wish to calculate=33,2672 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=0.3836851418018341} WEIGHT110A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS111the atoms involved in each of the contacts you wish to calculate=33,2675 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=0.377132773399353} WEIGHT111A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS112the atoms involved in each of the contacts you wish to calculate=33,2678 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=0.36823368072509766} WEIGHT112A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS113the atoms involved in each of the contacts you wish to calculate=33,2679 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=0.4850786626338959} WEIGHT113A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS114the atoms involved in each of the contacts you wish to calculate=33,2680 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=0.28270500898361206} WEIGHT114A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS115the atoms involved in each of the contacts you wish to calculate=33,2683 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=0.5811462998390198} WEIGHT115A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS116the atoms involved in each of the contacts you wish to calculate=33,2684 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=0.5934146046638489} WEIGHT116A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS117the atoms involved in each of the contacts you wish to calculate=33,2751 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=0.5508733987808228} WEIGHT117A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS118the atoms involved in each of the contacts you wish to calculate=33,2754 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=0.5102052688598633} WEIGHT118A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS119the atoms involved in each of the contacts you wish to calculate=33,2757 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=0.3786570429801941} WEIGHT119A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS120the atoms involved in each of the contacts you wish to calculate=33,2760 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=0.2831907868385315} WEIGHT120A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS121the atoms involved in each of the contacts you wish to calculate=34,99 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=0.5657216906547546} WEIGHT121A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS122the atoms involved in each of the contacts you wish to calculate=34,2672 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=0.587437093257904} WEIGHT122A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS123the atoms involved in each of the contacts you wish to calculate=34,2675 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=0.5748348236083984} WEIGHT123A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS124the atoms involved in each of the contacts you wish to calculate=34,2678 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=0.5223351120948792} WEIGHT124A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS125the atoms involved in each of the contacts you wish to calculate=34,2680 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=0.40363872051239014} WEIGHT125A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS126the atoms involved in each of the contacts you wish to calculate=34,2757 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=0.49774396419525146} WEIGHT126A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS127the atoms involved in each of the contacts you wish to calculate=34,2760 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=0.3613321781158447} WEIGHT127A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS128the atoms involved in each of the contacts you wish to calculate=35,92 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=0.4354642629623413} WEIGHT128A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS129the atoms involved in each of the contacts you wish to calculate=35,94 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=0.5330639481544495} WEIGHT129A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS130the atoms involved in each of the contacts you wish to calculate=35,96 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=0.5001931190490723} WEIGHT130A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS131the atoms involved in each of the contacts you wish to calculate=35,99 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=0.46458980441093445} WEIGHT131A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS132the atoms involved in each of the contacts you wish to calculate=35,102 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=0.5992807745933533} WEIGHT132A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS133the atoms involved in each of the contacts you wish to calculate=35,107 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=0.5969147086143494} WEIGHT133A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS134the atoms involved in each of the contacts you wish to calculate=35,2675 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=0.5383909344673157} WEIGHT134A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS135the atoms involved in each of the contacts you wish to calculate=35,2678 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=0.5681493878364563} WEIGHT135A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS136the atoms involved in each of the contacts you wish to calculate=35,2680 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=0.5403276681900024} WEIGHT136A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS137the atoms involved in each of the contacts you wish to calculate=35,2760 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=0.5831187963485718} WEIGHT137A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS138the atoms involved in each of the contacts you wish to calculate=36,92 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=0.3130080997943878} WEIGHT138A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS139the atoms involved in each of the contacts you wish to calculate=36,94 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=0.4137173295021057} WEIGHT139A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS140the atoms involved in each of the contacts you wish to calculate=36,96 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=0.39495566487312317} WEIGHT140A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS141the atoms involved in each of the contacts you wish to calculate=36,99 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=0.37117165327072144} WEIGHT141A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS142the atoms involved in each of the contacts you wish to calculate=36,102 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=0.5072535872459412} WEIGHT142A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS143the atoms involved in each of the contacts you wish to calculate=36,103 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=0.5630761384963989} WEIGHT143A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS144the atoms involved in each of the contacts you wish to calculate=36,104 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=0.5923940539360046} WEIGHT144A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS145the atoms involved in each of the contacts you wish to calculate=36,105 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=0.5115256309509277} WEIGHT145A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS146the atoms involved in each of the contacts you wish to calculate=36,107 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=0.4952453672885895} WEIGHT146A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS147the atoms involved in each of the contacts you wish to calculate=36,2672 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=0.5923876762390137} WEIGHT147A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS148the atoms involved in each of the contacts you wish to calculate=36,2675 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=0.5485928654670715} WEIGHT148A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS149the atoms involved in each of the contacts you wish to calculate=36,2680 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=0.583881139755249} WEIGHT149A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS150the atoms involved in each of the contacts you wish to calculate=36,2757 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=0.5736783146858215} WEIGHT150A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS151the atoms involved in each of the contacts you wish to calculate=36,2760 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=0.5473650693893433} WEIGHT151A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS152the atoms involved in each of the contacts you wish to calculate=39,107 SWITCH152The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5196257829666138} WEIGHT152A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS153the atoms involved in each of the contacts you wish to calculate=39,111 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=0.5673843622207642} WEIGHT153A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS154the atoms involved in each of the contacts you wish to calculate=50,107 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=0.40717196464538574} WEIGHT154A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS155the atoms involved in each of the contacts you wish to calculate=50,109 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=0.4873991310596466} WEIGHT155A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS156the atoms involved in each of the contacts you wish to calculate=50,111 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=0.4420057237148285} WEIGHT156A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS157the atoms involved in each of the contacts you wish to calculate=50,114 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=0.5708449482917786} WEIGHT157A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS158the atoms involved in each of the contacts you wish to calculate=51,107 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=0.2938857972621918} WEIGHT158A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS159the atoms involved in each of the contacts you wish to calculate=51,109 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=0.37061816453933716} WEIGHT159A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS160the atoms involved in each of the contacts you wish to calculate=51,111 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=0.3372995853424072} WEIGHT160A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS161the atoms involved in each of the contacts you wish to calculate=51,114 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=0.4706655740737915} WEIGHT161A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS162the atoms involved in each of the contacts you wish to calculate=51,115 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=0.5488508939743042} WEIGHT162A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS163the atoms involved in each of the contacts you wish to calculate=51,116 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=0.5303713083267212} WEIGHT163A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS164the atoms involved in each of the contacts you wish to calculate=51,117 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=0.49742230772972107} WEIGHT164A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS165the atoms involved in each of the contacts you wish to calculate=51,119 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=0.5170280337333679} WEIGHT165A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS166the atoms involved in each of the contacts you wish to calculate=51,2491 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=0.5902647972106934} WEIGHT166A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS167the atoms involved in each of the contacts you wish to calculate=52,2491 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=0.570267915725708} WEIGHT167A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS168the atoms involved in each of the contacts you wish to calculate=52,2627 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=0.5942329168319702} WEIGHT168A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS169the atoms involved in each of the contacts you wish to calculate=54,119 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=0.5332401394844055} WEIGHT169A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS170the atoms involved in each of the contacts you wish to calculate=54,123 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=0.5982155799865723} WEIGHT170A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS171the atoms involved in each of the contacts you wish to calculate=54,2489 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=0.5041608810424805} WEIGHT171A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS172the atoms involved in each of the contacts you wish to calculate=54,2491 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=0.44624415040016174} WEIGHT172A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS173the atoms involved in each of the contacts you wish to calculate=54,2493 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=0.505925178527832} WEIGHT173A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS174the atoms involved in each of the contacts you wish to calculate=54,2627 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=0.5035719275474548} WEIGHT174A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS175the atoms involved in each of the contacts you wish to calculate=56,2484 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=0.5807527899742126} WEIGHT175A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS176the atoms involved in each of the contacts you wish to calculate=56,2489 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=0.5446047782897949} WEIGHT176A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS177the atoms involved in each of the contacts you wish to calculate=56,2491 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=0.46060168743133545} WEIGHT177A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS178the atoms involved in each of the contacts you wish to calculate=56,2493 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=0.47651466727256775} WEIGHT178A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS179the atoms involved in each of the contacts you wish to calculate=56,2556 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=0.5607534050941467} WEIGHT179A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS180the atoms involved in each of the contacts you wish to calculate=56,2558 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=0.5088067054748535} WEIGHT180A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS181the atoms involved in each of the contacts you wish to calculate=56,2561 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=0.5793740153312683} WEIGHT181A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS182the atoms involved in each of the contacts you wish to calculate=56,2562 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=0.5907469987869263} WEIGHT182A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS183the atoms involved in each of the contacts you wish to calculate=56,2564 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=0.5451614260673523} WEIGHT183A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS184the atoms involved in each of the contacts you wish to calculate=56,2565 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=0.5082892775535583} WEIGHT184A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS185the atoms involved in each of the contacts you wish to calculate=56,2608 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=0.5343676209449768} WEIGHT185A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS186the atoms involved in each of the contacts you wish to calculate=56,2611 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=0.5906954407691956} WEIGHT186A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS187the atoms involved in each of the contacts you wish to calculate=56,2614 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=0.5247218012809753} WEIGHT187A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS188the atoms involved in each of the contacts you wish to calculate=56,2625 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=0.5954309701919556} WEIGHT188A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS189the atoms involved in each of the contacts you wish to calculate=56,2627 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=0.452328085899353} WEIGHT189A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS190the atoms involved in each of the contacts you wish to calculate=58,123 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=0.5879328846931458} WEIGHT190A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS191the atoms involved in each of the contacts you wish to calculate=58,2481 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=0.5321964621543884} WEIGHT191A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS192the atoms involved in each of the contacts you wish to calculate=58,2484 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=0.4766978323459625} WEIGHT192A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS193the atoms involved in each of the contacts you wish to calculate=58,2485 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=0.551134467124939} WEIGHT193A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS194the atoms involved in each of the contacts you wish to calculate=58,2487 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=0.549913763999939} WEIGHT194A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS195the atoms involved in each of the contacts you wish to calculate=58,2489 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=0.48523950576782227} WEIGHT195A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS196the atoms involved in each of the contacts you wish to calculate=58,2491 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=0.40989378094673157} WEIGHT196A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS197the atoms involved in each of the contacts you wish to calculate=58,2493 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=0.39925074577331543} WEIGHT197A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS198the atoms involved in each of the contacts you wish to calculate=58,2556 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=0.4958239793777466} WEIGHT198A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS199the atoms involved in each of the contacts you wish to calculate=58,2558 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=0.4450991153717041} WEIGHT199A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS200the atoms involved in each of the contacts you wish to calculate=58,2561 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=0.5452660918235779} WEIGHT200A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS201the atoms involved in each of the contacts you wish to calculate=58,2562 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=0.5861696600914001} WEIGHT201A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS202the atoms involved in each of the contacts you wish to calculate=58,2564 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=0.45119398832321167} WEIGHT202A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS203the atoms involved in each of the contacts you wish to calculate=58,2565 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=0.4243546724319458} WEIGHT203A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS204the atoms involved in each of the contacts you wish to calculate=58,2566 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=0.5097145438194275} WEIGHT204A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS205the atoms involved in each of the contacts you wish to calculate=58,2568 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=0.5655313730239868} WEIGHT205A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS206the atoms involved in each of the contacts you wish to calculate=58,2579 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=0.5671209096908569} WEIGHT206A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS207the atoms involved in each of the contacts you wish to calculate=58,2608 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=0.5321520566940308} WEIGHT207A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS208the atoms involved in each of the contacts you wish to calculate=58,2611 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=0.5979047417640686} WEIGHT208A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS209the atoms involved in each of the contacts you wish to calculate=58,2614 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=0.5613822340965271} WEIGHT209A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS210the atoms involved in each of the contacts you wish to calculate=58,2621 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=0.5451663732528687} WEIGHT210A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS211the atoms involved in each of the contacts you wish to calculate=58,2623 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=0.5671552419662476} WEIGHT211A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS212the atoms involved in each of the contacts you wish to calculate=58,2625 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=0.5086638927459717} WEIGHT212A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS213the atoms involved in each of the contacts you wish to calculate=58,2627 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=0.36042720079421997} WEIGHT213A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS214the atoms involved in each of the contacts you wish to calculate=58,2631 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=0.5572584867477417} WEIGHT214A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS215the atoms involved in each of the contacts you wish to calculate=62,2491 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=0.4959251284599304} WEIGHT215A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS216the atoms involved in each of the contacts you wish to calculate=62,2493 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=0.4925505816936493} WEIGHT216A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS217the atoms involved in each of the contacts you wish to calculate=62,2556 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=0.5099693536758423} WEIGHT217A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS218the atoms involved in each of the contacts you wish to calculate=62,2558 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=0.4461304247379303} WEIGHT218A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS219the atoms involved in each of the contacts you wish to calculate=62,2561 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=0.48229286074638367} WEIGHT219A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS220the atoms involved in each of the contacts you wish to calculate=62,2562 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=0.4720786213874817} WEIGHT220A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS221the atoms involved in each of the contacts you wish to calculate=62,2563 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=0.5577703714370728} WEIGHT221A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS222the atoms involved in each of the contacts you wish to calculate=62,2564 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=0.5365828275680542} WEIGHT222A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS223the atoms involved in each of the contacts you wish to calculate=62,2565 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=0.5174807906150818} WEIGHT223A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS224the atoms involved in each of the contacts you wish to calculate=62,2608 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=0.5378225445747375} WEIGHT224A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS225the atoms involved in each of the contacts you wish to calculate=62,2611 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=0.5543369650840759} WEIGHT225A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS226the atoms involved in each of the contacts you wish to calculate=62,2614 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=0.44685274362564087} WEIGHT226A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS227the atoms involved in each of the contacts you wish to calculate=62,2615 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=0.5792229175567627} WEIGHT227A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS228the atoms involved in each of the contacts you wish to calculate=62,2627 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=0.5770829319953918} WEIGHT228A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS229the atoms involved in each of the contacts you wish to calculate=65,2476 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=0.585429847240448} WEIGHT229A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS230the atoms involved in each of the contacts you wish to calculate=65,2481 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=0.5823349952697754} WEIGHT230A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS231the atoms involved in each of the contacts you wish to calculate=65,2484 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=0.5270158052444458} WEIGHT231A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS232the atoms involved in each of the contacts you wish to calculate=65,2489 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=0.5300132632255554} WEIGHT232A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS233the atoms involved in each of the contacts you wish to calculate=65,2491 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=0.4038487672805786} WEIGHT233A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS234the atoms involved in each of the contacts you wish to calculate=65,2493 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=0.3975047171115875} WEIGHT234A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS235the atoms involved in each of the contacts you wish to calculate=65,2556 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=0.5365263819694519} WEIGHT235A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS236the atoms involved in each of the contacts you wish to calculate=65,2558 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=0.43273791670799255} WEIGHT236A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS237the atoms involved in each of the contacts you wish to calculate=65,2561 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=0.4378633499145508} WEIGHT237A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS238the atoms involved in each of the contacts you wish to calculate=65,2562 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=0.4420183002948761} WEIGHT238A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS239the atoms involved in each of the contacts you wish to calculate=65,2563 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=0.4833071529865265} WEIGHT239A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS240the atoms involved in each of the contacts you wish to calculate=65,2564 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=0.5817170143127441} WEIGHT240A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS241the atoms involved in each of the contacts you wish to calculate=65,2565 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=0.5931829810142517} WEIGHT241A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS242the atoms involved in each of the contacts you wish to calculate=65,2614 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=0.54828941822052} WEIGHT242A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS243the atoms involved in each of the contacts you wish to calculate=69,119 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=0.4360518753528595} WEIGHT243A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS244the atoms involved in each of the contacts you wish to calculate=69,121 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=0.5199857950210571} WEIGHT244A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS245the atoms involved in each of the contacts you wish to calculate=69,123 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=0.4815289378166199} WEIGHT245A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS246the atoms involved in each of the contacts you wish to calculate=69,2487 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=0.5907658934593201} WEIGHT246A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS247the atoms involved in each of the contacts you wish to calculate=69,2489 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=0.4980502426624298} WEIGHT247A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS248the atoms involved in each of the contacts you wish to calculate=69,2491 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=0.478290319442749} WEIGHT248A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS249the atoms involved in each of the contacts you wish to calculate=69,2493 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=0.5465455651283264} WEIGHT249A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS250the atoms involved in each of the contacts you wish to calculate=69,2625 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=0.5617954730987549} WEIGHT250A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS251the atoms involved in each of the contacts you wish to calculate=69,2627 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=0.42400580644607544} WEIGHT251A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS252the atoms involved in each of the contacts you wish to calculate=70,119 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=0.32677388191223145} WEIGHT252A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS253the atoms involved in each of the contacts you wish to calculate=70,121 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=0.4037042558193207} WEIGHT253A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS254the atoms involved in each of the contacts you wish to calculate=70,123 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=0.36688151955604553} WEIGHT254A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS255the atoms involved in each of the contacts you wish to calculate=70,126 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=0.5034090876579285} WEIGHT255A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS256the atoms involved in each of the contacts you wish to calculate=70,128 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=0.5942509770393372} WEIGHT256A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS257the atoms involved in each of the contacts you wish to calculate=70,132 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=0.5065158009529114} WEIGHT257A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS258the atoms involved in each of the contacts you wish to calculate=70,136 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=0.5196980834007263} WEIGHT258A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS259the atoms involved in each of the contacts you wish to calculate=70,138 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=0.5132380127906799} WEIGHT259A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS260the atoms involved in each of the contacts you wish to calculate=70,2484 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=0.5650851130485535} WEIGHT260A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS261the atoms involved in each of the contacts you wish to calculate=70,2485 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=0.567402720451355} WEIGHT261A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS262the atoms involved in each of the contacts you wish to calculate=70,2487 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=0.48975709080696106} WEIGHT262A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS263the atoms involved in each of the contacts you wish to calculate=70,2489 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=0.40472182631492615} WEIGHT263A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS264the atoms involved in each of the contacts you wish to calculate=70,2491 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=0.41375279426574707} WEIGHT264A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS265the atoms involved in each of the contacts you wish to calculate=70,2493 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=0.4953722655773163} WEIGHT265A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS266the atoms involved in each of the contacts you wish to calculate=70,2625 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=0.5846248269081116} WEIGHT266A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS267the atoms involved in each of the contacts you wish to calculate=70,2627 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=0.44657471776008606} WEIGHT267A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS268the atoms involved in each of the contacts you wish to calculate=71,2623 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=0.5610796809196472} WEIGHT268A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS269the atoms involved in each of the contacts you wish to calculate=71,2625 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=0.5159304141998291} WEIGHT269A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS270the atoms involved in each of the contacts you wish to calculate=71,2627 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=0.40010371804237366} WEIGHT270A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS271the atoms involved in each of the contacts you wish to calculate=71,2672 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=0.5967335104942322} WEIGHT271A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS272the atoms involved in each of the contacts you wish to calculate=71,2675 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=0.5588722825050354} WEIGHT272A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS273the atoms involved in each of the contacts you wish to calculate=73,138 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=0.5169427990913391} WEIGHT273A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS274the atoms involved in each of the contacts you wish to calculate=73,140 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=0.5928582549095154} WEIGHT274A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS275the atoms involved in each of the contacts you wish to calculate=73,142 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=0.5453117489814758} WEIGHT275A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS276the atoms involved in each of the contacts you wish to calculate=73,145 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=0.4934612214565277} WEIGHT276A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS277the atoms involved in each of the contacts you wish to calculate=73,2623 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=0.5388705730438232} WEIGHT277A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS278the atoms involved in each of the contacts you wish to calculate=73,2625 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=0.48216524720191956} WEIGHT278A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS279the atoms involved in each of the contacts you wish to calculate=73,2627 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=0.395525187253952} WEIGHT279A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS280the atoms involved in each of the contacts you wish to calculate=73,2636 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=0.5975691080093384} WEIGHT280A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS281the atoms involved in each of the contacts you wish to calculate=73,2672 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=0.5441213250160217} WEIGHT281A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS282the atoms involved in each of the contacts you wish to calculate=73,2675 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=0.5434494614601135} WEIGHT282A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS283the atoms involved in each of the contacts you wish to calculate=73,2757 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=0.5853456854820251} WEIGHT283A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS284the atoms involved in each of the contacts you wish to calculate=75,142 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=0.5923731327056885} WEIGHT284A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS285the atoms involved in each of the contacts you wish to calculate=75,145 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=0.538177490234375} WEIGHT285A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS286the atoms involved in each of the contacts you wish to calculate=75,2621 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=0.5939504504203796} WEIGHT286A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS287the atoms involved in each of the contacts you wish to calculate=75,2623 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=0.49890923500061035} WEIGHT287A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS288the atoms involved in each of the contacts you wish to calculate=75,2625 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=0.4806707203388214} WEIGHT288A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS289the atoms involved in each of the contacts you wish to calculate=75,2627 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=0.4315405786037445} WEIGHT289A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS290the atoms involved in each of the contacts you wish to calculate=75,2635 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=0.5650139451026917} WEIGHT290A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS291the atoms involved in each of the contacts you wish to calculate=75,2636 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=0.5173834562301636} WEIGHT291A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS292the atoms involved in each of the contacts you wish to calculate=75,2670 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=0.5442600250244141} WEIGHT292A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS293the atoms involved in each of the contacts you wish to calculate=75,2672 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=0.3985207974910736} WEIGHT293A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS294the atoms involved in each of the contacts you wish to calculate=75,2675 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=0.41199761629104614} WEIGHT294A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS295the atoms involved in each of the contacts you wish to calculate=75,2678 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=0.5404636859893799} WEIGHT295A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS296the atoms involved in each of the contacts you wish to calculate=75,2680 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=0.5697199702262878} WEIGHT296A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS297the atoms involved in each of the contacts you wish to calculate=75,2683 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=0.5866734385490417} WEIGHT297A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS298the atoms involved in each of the contacts you wish to calculate=75,2685 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=0.5989571213722229} WEIGHT298A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS299the atoms involved in each of the contacts you wish to calculate=75,2754 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=0.5846898555755615} WEIGHT299A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS300the atoms involved in each of the contacts you wish to calculate=75,2757 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=0.4653022587299347} WEIGHT300A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS301the atoms involved in each of the contacts you wish to calculate=75,2760 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=0.5174592137336731} WEIGHT301A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS302the atoms involved in each of the contacts you wish to calculate=78,138 SWITCH302The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5944092273712158} WEIGHT302A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS303the atoms involved in each of the contacts you wish to calculate=78,142 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=0.5096914172172546} WEIGHT303A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS304the atoms involved in each of the contacts you wish to calculate=78,145 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=0.44586360454559326} WEIGHT304A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS305the atoms involved in each of the contacts you wish to calculate=78,148 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=0.5882790088653564} WEIGHT305A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS306the atoms involved in each of the contacts you wish to calculate=78,149 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=0.5732671022415161} WEIGHT306A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS307the atoms involved in each of the contacts you wish to calculate=78,2623 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=0.5147303938865662} WEIGHT307A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS308the atoms involved in each of the contacts you wish to calculate=78,2625 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=0.48978909850120544} WEIGHT308A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS309the atoms involved in each of the contacts you wish to calculate=78,2627 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=0.4794395864009857} WEIGHT309A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS310the atoms involved in each of the contacts you wish to calculate=78,2635 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=0.5446043014526367} WEIGHT310A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS311the atoms involved in each of the contacts you wish to calculate=78,2636 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=0.4694686532020569} WEIGHT311A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS312the atoms involved in each of the contacts you wish to calculate=78,2668 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=0.5895166397094727} WEIGHT312A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS313the atoms involved in each of the contacts you wish to calculate=78,2670 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=0.5071703791618347} WEIGHT313A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS314the atoms involved in each of the contacts you wish to calculate=78,2672 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=0.38238435983657837} WEIGHT314A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS315the atoms involved in each of the contacts you wish to calculate=78,2675 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=0.44780001044273376} WEIGHT315A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS316the atoms involved in each of the contacts you wish to calculate=78,2678 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=0.5822161436080933} WEIGHT316A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS317the atoms involved in each of the contacts you wish to calculate=78,2683 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=0.5102418661117554} WEIGHT317A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS318the atoms involved in each of the contacts you wish to calculate=78,2684 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=0.5579791069030762} WEIGHT318A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS319the atoms involved in each of the contacts you wish to calculate=78,2685 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=0.509981095790863} WEIGHT319A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS320the atoms involved in each of the contacts you wish to calculate=78,2687 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=0.5681637525558472} WEIGHT320A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS321the atoms involved in each of the contacts you wish to calculate=78,2751 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=0.5078712701797485} WEIGHT321A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS322the atoms involved in each of the contacts you wish to calculate=78,2754 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=0.49254167079925537} WEIGHT322A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS323the atoms involved in each of the contacts you wish to calculate=78,2757 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=0.40187209844589233} WEIGHT323A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS324the atoms involved in each of the contacts you wish to calculate=78,2760 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=0.49101224541664124} WEIGHT324A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS325the atoms involved in each of the contacts you wish to calculate=79,142 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=0.5647750496864319} WEIGHT325A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS326the atoms involved in each of the contacts you wish to calculate=79,145 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=0.47190043330192566} WEIGHT326A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS327the atoms involved in each of the contacts you wish to calculate=79,148 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=0.5821287631988525} WEIGHT327A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS328the atoms involved in each of the contacts you wish to calculate=79,149 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=0.540130615234375} WEIGHT328A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS329the atoms involved in each of the contacts you wish to calculate=79,656 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=0.5750181674957275} WEIGHT329A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS330the atoms involved in each of the contacts you wish to calculate=79,658 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=0.5793154835700989} WEIGHT330A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS331the atoms involved in each of the contacts you wish to calculate=79,2621 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=0.5699335932731628} WEIGHT331A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS332the atoms involved in each of the contacts you wish to calculate=79,2623 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=0.43549710512161255} WEIGHT332A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS333the atoms involved in each of the contacts you wish to calculate=79,2625 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=0.42063960433006287} WEIGHT333A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS334the atoms involved in each of the contacts you wish to calculate=79,2627 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=0.45383113622665405} WEIGHT334A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS335the atoms involved in each of the contacts you wish to calculate=79,2631 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=0.5564976930618286} WEIGHT335A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS336the atoms involved in each of the contacts you wish to calculate=79,2635 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=0.4346681237220764} WEIGHT336A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS337the atoms involved in each of the contacts you wish to calculate=79,2636 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=0.345342218875885} WEIGHT337A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS338the atoms involved in each of the contacts you wish to calculate=79,2637 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=0.5585058927536011} WEIGHT338A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS339the atoms involved in each of the contacts you wish to calculate=79,2668 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=0.5056917667388916} WEIGHT339A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS340the atoms involved in each of the contacts you wish to calculate=79,2670 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=0.43737632036209106} WEIGHT340A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS341the atoms involved in each of the contacts you wish to calculate=79,2672 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=0.3410423994064331} WEIGHT341A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS342the atoms involved in each of the contacts you wish to calculate=79,2675 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=0.4256419837474823} WEIGHT342A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS343the atoms involved in each of the contacts you wish to calculate=79,2678 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=0.5683361291885376} WEIGHT343A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS344the atoms involved in each of the contacts you wish to calculate=79,2683 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=0.42028674483299255} WEIGHT344A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS345the atoms involved in each of the contacts you wish to calculate=79,2684 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=0.4826538860797882} WEIGHT345A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS346the atoms involved in each of the contacts you wish to calculate=79,2685 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=0.3930025100708008} WEIGHT346A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS347the atoms involved in each of the contacts you wish to calculate=79,2687 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=0.4459441602230072} WEIGHT347A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS348the atoms involved in each of the contacts you wish to calculate=79,2689 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=0.48267608880996704} WEIGHT348A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS349the atoms involved in each of the contacts you wish to calculate=79,2692 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=0.4962373971939087} WEIGHT349A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS350the atoms involved in each of the contacts you wish to calculate=79,2707 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=0.5896116495132446} WEIGHT350A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS351the atoms involved in each of the contacts you wish to calculate=79,2748 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=0.5747185349464417} WEIGHT351A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS352the atoms involved in each of the contacts you wish to calculate=79,2751 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=0.49213916063308716} WEIGHT352A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS353the atoms involved in each of the contacts you wish to calculate=79,2754 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=0.5181862115859985} WEIGHT353A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS354the atoms involved in each of the contacts you wish to calculate=79,2757 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=0.4578000009059906} WEIGHT354A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS355the atoms involved in each of the contacts you wish to calculate=79,2760 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=0.5521382689476013} WEIGHT355A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS356the atoms involved in each of the contacts you wish to calculate=81,142 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=0.5416521430015564} WEIGHT356A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS357the atoms involved in each of the contacts you wish to calculate=81,145 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=0.4500156044960022} WEIGHT357A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS358the atoms involved in each of the contacts you wish to calculate=81,148 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=0.5463861227035522} WEIGHT358A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS359the atoms involved in each of the contacts you wish to calculate=81,149 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=0.5240314602851868} WEIGHT359A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS360the atoms involved in each of the contacts you wish to calculate=81,588 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=0.54373699426651} WEIGHT360A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS361the atoms involved in each of the contacts you wish to calculate=81,655 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=0.5999292135238647} WEIGHT361A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS362the atoms involved in each of the contacts you wish to calculate=81,656 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=0.5315840244293213} WEIGHT362A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS363the atoms involved in each of the contacts you wish to calculate=81,658 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=0.545782208442688} WEIGHT363A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS364the atoms involved in each of the contacts you wish to calculate=81,2623 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=0.5294727683067322} WEIGHT364A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS365the atoms involved in each of the contacts you wish to calculate=81,2625 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=0.512668788433075} WEIGHT365A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS366the atoms involved in each of the contacts you wish to calculate=81,2627 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=0.5677062273025513} WEIGHT366A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS367the atoms involved in each of the contacts you wish to calculate=81,2635 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=0.49387872219085693} WEIGHT367A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS368the atoms involved in each of the contacts you wish to calculate=81,2636 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=0.38456884026527405} WEIGHT368A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS369the atoms involved in each of the contacts you wish to calculate=81,2668 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=0.5414721965789795} WEIGHT369A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS370the atoms involved in each of the contacts you wish to calculate=81,2670 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=0.4613306224346161} WEIGHT370A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS371the atoms involved in each of the contacts you wish to calculate=81,2672 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=0.40188300609588623} WEIGHT371A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS372the atoms involved in each of the contacts you wish to calculate=81,2675 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=0.5175354480743408} WEIGHT372A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS373the atoms involved in each of the contacts you wish to calculate=81,2683 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=0.3963698148727417} WEIGHT373A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS374the atoms involved in each of the contacts you wish to calculate=81,2684 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=0.4353240430355072} WEIGHT374A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS375the atoms involved in each of the contacts you wish to calculate=81,2685 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=0.35531818866729736} WEIGHT375A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS376the atoms involved in each of the contacts you wish to calculate=81,2687 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=0.3645520508289337} WEIGHT376A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS377the atoms involved in each of the contacts you wish to calculate=81,2689 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=0.40052488446235657} WEIGHT377A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS378the atoms involved in each of the contacts you wish to calculate=81,2692 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=0.38619619607925415} WEIGHT378A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS379the atoms involved in each of the contacts you wish to calculate=81,2695 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=0.5229702591896057} WEIGHT379A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS380the atoms involved in each of the contacts you wish to calculate=81,2698 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=0.5706301927566528} WEIGHT380A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS381the atoms involved in each of the contacts you wish to calculate=81,2700 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=0.5851844549179077} WEIGHT381A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS382the atoms involved in each of the contacts you wish to calculate=81,2701 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=0.5488705039024353} WEIGHT382A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS383the atoms involved in each of the contacts you wish to calculate=81,2707 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=0.5017110705375671} WEIGHT383A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS384the atoms involved in each of the contacts you wish to calculate=81,2708 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=0.5307138562202454} WEIGHT384A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS385the atoms involved in each of the contacts you wish to calculate=81,2748 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=0.4757833778858185} WEIGHT385A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS386the atoms involved in each of the contacts you wish to calculate=81,2751 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=0.4239305853843689} WEIGHT386A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS387the atoms involved in each of the contacts you wish to calculate=81,2754 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=0.4678516983985901} WEIGHT387A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS388the atoms involved in each of the contacts you wish to calculate=81,2757 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=0.44923606514930725} WEIGHT388A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS389the atoms involved in each of the contacts you wish to calculate=81,2760 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=0.5654280781745911} WEIGHT389A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS390the atoms involved in each of the contacts you wish to calculate=83,142 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=0.4665299952030182} WEIGHT390A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS391the atoms involved in each of the contacts you wish to calculate=83,145 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=0.40642261505126953} WEIGHT391A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS392the atoms involved in each of the contacts you wish to calculate=83,148 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=0.5204278230667114} WEIGHT392A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS393the atoms involved in each of the contacts you wish to calculate=83,149 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=0.5454781651496887} WEIGHT393A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS394the atoms involved in each of the contacts you wish to calculate=83,588 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=0.452443391084671} WEIGHT394A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS395the atoms involved in each of the contacts you wish to calculate=83,2636 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=0.5242083668708801} WEIGHT395A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS396the atoms involved in each of the contacts you wish to calculate=83,2670 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=0.5467894673347473} WEIGHT396A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS397the atoms involved in each of the contacts you wish to calculate=83,2672 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=0.4871581196784973} WEIGHT397A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS398the atoms involved in each of the contacts you wish to calculate=83,2683 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=0.46871936321258545} WEIGHT398A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS399the atoms involved in each of the contacts you wish to calculate=83,2684 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=0.472755491733551} WEIGHT399A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS400the atoms involved in each of the contacts you wish to calculate=83,2685 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=0.44844380021095276} WEIGHT400A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS401the atoms involved in each of the contacts you wish to calculate=83,2687 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=0.43351006507873535} WEIGHT401A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS402the atoms involved in each of the contacts you wish to calculate=83,2689 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=0.4815652370452881} WEIGHT402A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS403the atoms involved in each of the contacts you wish to calculate=83,2692 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=0.43436673283576965} WEIGHT403A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS404the atoms involved in each of the contacts you wish to calculate=83,2695 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=0.5467674732208252} WEIGHT404A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS405the atoms involved in each of the contacts you wish to calculate=83,2698 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=0.5619409680366516} WEIGHT405A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS406the atoms involved in each of the contacts you wish to calculate=83,2700 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=0.5459465384483337} WEIGHT406A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS407the atoms involved in each of the contacts you wish to calculate=83,2701 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=0.5026307702064514} WEIGHT407A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS408the atoms involved in each of the contacts you wish to calculate=83,2707 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=0.5471769571304321} WEIGHT408A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS409the atoms involved in each of the contacts you wish to calculate=83,2708 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=0.5455179214477539} WEIGHT409A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS410the atoms involved in each of the contacts you wish to calculate=83,2746 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=0.5585586428642273} WEIGHT410A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS411the atoms involved in each of the contacts you wish to calculate=83,2748 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=0.40934649109840393} WEIGHT411A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS412the atoms involved in each of the contacts you wish to calculate=83,2751 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=0.36932888627052307} WEIGHT412A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS413the atoms involved in each of the contacts you wish to calculate=83,2754 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=0.3862769305706024} WEIGHT413A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS414the atoms involved in each of the contacts you wish to calculate=83,2757 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=0.39055579900741577} WEIGHT414A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS415the atoms involved in each of the contacts you wish to calculate=83,2760 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=0.5269608497619629} WEIGHT415A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS416the atoms involved in each of the contacts you wish to calculate=84,142 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=0.5181082487106323} WEIGHT416A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS417the atoms involved in each of the contacts you wish to calculate=84,145 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=0.46642592549324036} WEIGHT417A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS418the atoms involved in each of the contacts you wish to calculate=84,148 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=0.5524062514305115} WEIGHT418A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS419the atoms involved in each of the contacts you wish to calculate=84,149 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=0.5918530821800232} WEIGHT419A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS420the atoms involved in each of the contacts you wish to calculate=84,586 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=0.5245013236999512} WEIGHT420A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS421the atoms involved in each of the contacts you wish to calculate=84,588 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=0.3791157007217407} WEIGHT421A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS422the atoms involved in each of the contacts you wish to calculate=84,592 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=0.5582054853439331} WEIGHT422A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS423the atoms involved in each of the contacts you wish to calculate=84,2636 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=0.5904563665390015} WEIGHT423A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS424the atoms involved in each of the contacts you wish to calculate=84,2672 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=0.5712877511978149} WEIGHT424A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS425the atoms involved in each of the contacts you wish to calculate=84,2683 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=0.4928593337535858} WEIGHT425A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS426the atoms involved in each of the contacts you wish to calculate=84,2684 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=0.47303307056427} WEIGHT426A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS427the atoms involved in each of the contacts you wish to calculate=84,2685 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=0.4656953513622284} WEIGHT427A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS428the atoms involved in each of the contacts you wish to calculate=84,2687 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=0.41042545437812805} WEIGHT428A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS429the atoms involved in each of the contacts you wish to calculate=84,2689 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=0.45511651039123535} WEIGHT429A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS430the atoms involved in each of the contacts you wish to calculate=84,2692 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=0.38046836853027344} WEIGHT430A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS431the atoms involved in each of the contacts you wish to calculate=84,2695 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=0.4625239968299866} WEIGHT431A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS432the atoms involved in each of the contacts you wish to calculate=84,2698 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=0.45681431889533997} WEIGHT432A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS433the atoms involved in each of the contacts you wish to calculate=84,2700 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=0.42154377698898315} WEIGHT433A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS434the atoms involved in each of the contacts you wish to calculate=84,2701 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=0.37417587637901306} WEIGHT434A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS435the atoms involved in each of the contacts you wish to calculate=84,2704 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=0.490617960691452} WEIGHT435A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS436the atoms involved in each of the contacts you wish to calculate=84,2707 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=0.49735379219055176} WEIGHT436A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS437the atoms involved in each of the contacts you wish to calculate=84,2708 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=0.4686724543571472} WEIGHT437A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS438the atoms involved in each of the contacts you wish to calculate=84,2744 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=0.545315682888031} WEIGHT438A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS439the atoms involved in each of the contacts you wish to calculate=84,2746 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=0.486417680978775} WEIGHT439A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS440the atoms involved in each of the contacts you wish to calculate=84,2748 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=0.342935711145401} WEIGHT440A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS441the atoms involved in each of the contacts you wish to calculate=84,2751 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=0.35619962215423584} WEIGHT441A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS442the atoms involved in each of the contacts you wish to calculate=84,2754 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=0.3954367935657501} WEIGHT442A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS443the atoms involved in each of the contacts you wish to calculate=84,2757 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=0.4483729898929596} WEIGHT443A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS444the atoms involved in each of the contacts you wish to calculate=84,2760 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=0.5877571702003479} WEIGHT444A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS445the atoms involved in each of the contacts you wish to calculate=84,2764 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=0.5380826592445374} WEIGHT445A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS446the atoms involved in each of the contacts you wish to calculate=84,2765 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=0.5884220600128174} WEIGHT446A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS447the atoms involved in each of the contacts you wish to calculate=84,2766 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=0.5860067009925842} WEIGHT447A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS448the atoms involved in each of the contacts you wish to calculate=84,2832 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=0.5244048237800598} WEIGHT448A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS449the atoms involved in each of the contacts you wish to calculate=86,138 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=0.5727925896644592} WEIGHT449A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS450the atoms involved in each of the contacts you wish to calculate=86,140 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=0.534735918045044} WEIGHT450A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS451the atoms involved in each of the contacts you wish to calculate=86,142 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=0.39604830741882324} WEIGHT451A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS452the atoms involved in each of the contacts you wish to calculate=86,145 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=0.3724907636642456} WEIGHT452A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS453the atoms involved in each of the contacts you wish to calculate=86,148 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=0.5237529277801514} WEIGHT453A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS454the atoms involved in each of the contacts you wish to calculate=86,149 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=0.5737337470054626} WEIGHT454A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS455the atoms involved in each of the contacts you wish to calculate=86,588 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=0.49542808532714844} WEIGHT455A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS456the atoms involved in each of the contacts you wish to calculate=86,2672 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=0.5181207060813904} WEIGHT456A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS457the atoms involved in each of the contacts you wish to calculate=86,2683 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=0.5538716316223145} WEIGHT457A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS458the atoms involved in each of the contacts you wish to calculate=86,2684 SWITCH458The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5540555715560913} WEIGHT458A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS459the atoms involved in each of the contacts you wish to calculate=86,2685 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=0.555828869342804} WEIGHT459A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS460the atoms involved in each of the contacts you wish to calculate=86,2687 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=0.5610818266868591} WEIGHT460A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS461the atoms involved in each of the contacts you wish to calculate=86,2692 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=0.5742668509483337} WEIGHT461A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS462the atoms involved in each of the contacts you wish to calculate=86,2748 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=0.4665903151035309} WEIGHT462A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS463the atoms involved in each of the contacts you wish to calculate=86,2751 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=0.3981982469558716} WEIGHT463A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS464the atoms involved in each of the contacts you wish to calculate=86,2754 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=0.3600442409515381} WEIGHT464A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS465the atoms involved in each of the contacts you wish to calculate=86,2757 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=0.33039960265159607} WEIGHT465A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS466the atoms involved in each of the contacts you wish to calculate=86,2760 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=0.4682369530200958} WEIGHT466A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS467the atoms involved in each of the contacts you wish to calculate=88,138 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=0.5392485857009888} WEIGHT467A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS468the atoms involved in each of the contacts you wish to calculate=88,140 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=0.5357913374900818} WEIGHT468A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS469the atoms involved in each of the contacts you wish to calculate=88,142 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=0.4214003086090088} WEIGHT469A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS470the atoms involved in each of the contacts you wish to calculate=88,145 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=0.39427056908607483} WEIGHT470A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS471the atoms involved in each of the contacts you wish to calculate=88,148 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=0.5583431124687195} WEIGHT471A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS472the atoms involved in each of the contacts you wish to calculate=88,149 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=0.5872716903686523} WEIGHT472A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS473the atoms involved in each of the contacts you wish to calculate=88,2636 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=0.5896012783050537} WEIGHT473A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS474the atoms involved in each of the contacts you wish to calculate=88,2670 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=0.589590311050415} WEIGHT474A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS475the atoms involved in each of the contacts you wish to calculate=88,2672 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=0.47330838441848755} WEIGHT475A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS476the atoms involved in each of the contacts you wish to calculate=88,2675 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=0.5550546646118164} WEIGHT476A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS477the atoms involved in each of the contacts you wish to calculate=88,2683 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=0.5727057456970215} WEIGHT477A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS478the atoms involved in each of the contacts you wish to calculate=88,2684 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=0.5929535031318665} WEIGHT478A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS479the atoms involved in each of the contacts you wish to calculate=88,2685 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=0.5825098752975464} WEIGHT479A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS480the atoms involved in each of the contacts you wish to calculate=88,2748 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=0.5659726858139038} WEIGHT480A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS481the atoms involved in each of the contacts you wish to calculate=88,2751 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=0.46849381923675537} WEIGHT481A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS482the atoms involved in each of the contacts you wish to calculate=88,2754 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=0.4199410080909729} WEIGHT482A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS483the atoms involved in each of the contacts you wish to calculate=88,2757 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=0.33747634291648865} WEIGHT483A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS484the atoms involved in each of the contacts you wish to calculate=88,2760 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=0.44873398542404175} WEIGHT484A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS485the atoms involved in each of the contacts you wish to calculate=90,138 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=0.40416571497917175} WEIGHT485A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS486the atoms involved in each of the contacts you wish to calculate=90,140 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=0.47823941707611084} WEIGHT486A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS487the atoms involved in each of the contacts you wish to calculate=90,142 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=0.44766372442245483} WEIGHT487A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS488the atoms involved in each of the contacts you wish to calculate=90,145 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=0.43440765142440796} WEIGHT488A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS489the atoms involved in each of the contacts you wish to calculate=90,148 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=0.5890856385231018} WEIGHT489A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS490the atoms involved in each of the contacts you wish to calculate=90,153 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=0.5648121237754822} WEIGHT490A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS491the atoms involved in each of the contacts you wish to calculate=90,155 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=0.5646530389785767} WEIGHT491A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS492the atoms involved in each of the contacts you wish to calculate=90,2627 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=0.5270809531211853} WEIGHT492A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS493the atoms involved in each of the contacts you wish to calculate=90,2757 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=0.5822690725326538} WEIGHT493A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS494the atoms involved in each of the contacts you wish to calculate=91,138 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=0.2861013412475586} WEIGHT494A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS495the atoms involved in each of the contacts you wish to calculate=91,140 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=0.36595481634140015} WEIGHT495A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS496the atoms involved in each of the contacts you wish to calculate=91,142 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=0.3498125374317169} WEIGHT496A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS497the atoms involved in each of the contacts you wish to calculate=91,145 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=0.33623504638671875} WEIGHT497A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS498the atoms involved in each of the contacts you wish to calculate=91,148 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=0.4832639992237091} WEIGHT498A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS499the atoms involved in each of the contacts you wish to calculate=91,149 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=0.5099128484725952} WEIGHT499A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS500the atoms involved in each of the contacts you wish to calculate=91,153 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=0.4668669104576111} WEIGHT500A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS501the atoms involved in each of the contacts you wish to calculate=91,154 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=0.5712242126464844} WEIGHT501A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS502the atoms involved in each of the contacts you wish to calculate=91,155 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=0.4810165762901306} WEIGHT502A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS503the atoms involved in each of the contacts you wish to calculate=91,2627 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=0.5493146777153015} WEIGHT503A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS504the atoms involved in each of the contacts you wish to calculate=92,155 SWITCH504The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5661045908927917} WEIGHT504A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS505the atoms involved in each of the contacts you wish to calculate=92,174 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=0.5921573638916016} WEIGHT505A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS506the atoms involved in each of the contacts you wish to calculate=92,2757 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=0.5667011141777039} WEIGHT506A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS507the atoms involved in each of the contacts you wish to calculate=94,155 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=0.45887503027915955} WEIGHT507A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS508the atoms involved in each of the contacts you wish to calculate=94,157 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=0.5494769811630249} WEIGHT508A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS509the atoms involved in each of the contacts you wish to calculate=94,159 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=0.5092144012451172} WEIGHT509A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS510the atoms involved in each of the contacts you wish to calculate=94,168 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=0.5679211616516113} WEIGHT510A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS511the atoms involved in each of the contacts you wish to calculate=94,170 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=0.5132041573524475} WEIGHT511A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS512the atoms involved in each of the contacts you wish to calculate=94,171 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=0.5216459631919861} WEIGHT512A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS513the atoms involved in each of the contacts you wish to calculate=94,174 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=0.47216758131980896} WEIGHT513A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS514the atoms involved in each of the contacts you wish to calculate=96,155 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=0.5432514548301697} WEIGHT514A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS515the atoms involved in each of the contacts you wish to calculate=96,159 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=0.5297747254371643} WEIGHT515A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS516the atoms involved in each of the contacts you wish to calculate=96,168 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=0.5091822743415833} WEIGHT516A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS517the atoms involved in each of the contacts you wish to calculate=96,170 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=0.43667906522750854} WEIGHT517A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS518the atoms involved in each of the contacts you wish to calculate=96,171 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=0.4618470370769501} WEIGHT518A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS519the atoms involved in each of the contacts you wish to calculate=96,174 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=0.3635963797569275} WEIGHT519A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS520the atoms involved in each of the contacts you wish to calculate=96,2757 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=0.5959517955780029} WEIGHT520A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS521the atoms involved in each of the contacts you wish to calculate=99,168 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=0.5477171540260315} WEIGHT521A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS522the atoms involved in each of the contacts you wish to calculate=99,170 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=0.4438354969024658} WEIGHT522A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS523the atoms involved in each of the contacts you wish to calculate=99,171 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=0.44028180837631226} WEIGHT523A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS524the atoms involved in each of the contacts you wish to calculate=99,174 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=0.36500120162963867} WEIGHT524A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS525the atoms involved in each of the contacts you wish to calculate=99,2754 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=0.5956257581710815} WEIGHT525A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS526the atoms involved in each of the contacts you wish to calculate=99,2757 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=0.47336891293525696} WEIGHT526A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS527the atoms involved in each of the contacts you wish to calculate=99,2760 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=0.4808410704135895} WEIGHT527A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS528the atoms involved in each of the contacts you wish to calculate=102,159 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=0.5913870930671692} WEIGHT528A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS529the atoms involved in each of the contacts you wish to calculate=102,165 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=0.5699501037597656} WEIGHT529A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS530the atoms involved in each of the contacts you wish to calculate=102,168 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=0.4735928773880005} WEIGHT530A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS531the atoms involved in each of the contacts you wish to calculate=102,170 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=0.3542570471763611} WEIGHT531A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS532the atoms involved in each of the contacts you wish to calculate=102,171 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=0.315775603055954} WEIGHT532A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS533the atoms involved in each of the contacts you wish to calculate=102,174 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=0.30804234743118286} WEIGHT533A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS534the atoms involved in each of the contacts you wish to calculate=102,2754 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=0.5231195092201233} WEIGHT534A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS535the atoms involved in each of the contacts you wish to calculate=102,2757 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=0.4302116334438324} WEIGHT535A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS536the atoms involved in each of the contacts you wish to calculate=102,2760 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=0.4583602845668793} WEIGHT536A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS537the atoms involved in each of the contacts you wish to calculate=103,155 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=0.5466897487640381} WEIGHT537A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS538the atoms involved in each of the contacts you wish to calculate=103,159 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=0.5693301558494568} WEIGHT538A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS539the atoms involved in each of the contacts you wish to calculate=103,165 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=0.5539757013320923} WEIGHT539A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS540the atoms involved in each of the contacts you wish to calculate=103,168 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=0.4865944981575012} WEIGHT540A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS541the atoms involved in each of the contacts you wish to calculate=103,170 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=0.3769615590572357} WEIGHT541A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS542the atoms involved in each of the contacts you wish to calculate=103,171 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=0.3029952049255371} WEIGHT542A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS543the atoms involved in each of the contacts you wish to calculate=103,174 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=0.3736926317214966} WEIGHT543A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS544the atoms involved in each of the contacts you wish to calculate=103,2754 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=0.46452322602272034} WEIGHT544A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS545the atoms involved in each of the contacts you wish to calculate=103,2757 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=0.39308270812034607} WEIGHT545A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS546the atoms involved in each of the contacts you wish to calculate=103,2760 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=0.46013274788856506} WEIGHT546A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS547the atoms involved in each of the contacts you wish to calculate=104,165 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=0.5622785687446594} WEIGHT547A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS548the atoms involved in each of the contacts you wish to calculate=104,168 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=0.45415884256362915} WEIGHT548A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS549the atoms involved in each of the contacts you wish to calculate=104,170 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=0.3222576379776001} WEIGHT549A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS550the atoms involved in each of the contacts you wish to calculate=104,171 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=0.28458070755004883} WEIGHT550A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS551the atoms involved in each of the contacts you wish to calculate=104,174 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=0.2697333097457886} WEIGHT551A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS552the atoms involved in each of the contacts you wish to calculate=104,2754 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=0.5503525137901306} WEIGHT552A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS553the atoms involved in each of the contacts you wish to calculate=104,2757 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=0.4742699861526489} WEIGHT553A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS554the atoms involved in each of the contacts you wish to calculate=104,2760 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=0.48077648878097534} WEIGHT554A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS555the atoms involved in each of the contacts you wish to calculate=105,155 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=0.40816161036491394} WEIGHT555A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS556the atoms involved in each of the contacts you wish to calculate=105,157 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=0.49249812960624695} WEIGHT556A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS557the atoms involved in each of the contacts you wish to calculate=105,159 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=0.4517176151275635} WEIGHT557A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS558the atoms involved in each of the contacts you wish to calculate=105,162 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=0.5848396420478821} WEIGHT558A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS559the atoms involved in each of the contacts you wish to calculate=105,168 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=0.5755900144577026} WEIGHT559A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS560the atoms involved in each of the contacts you wish to calculate=105,170 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=0.5551342964172363} WEIGHT560A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS561the atoms involved in each of the contacts you wish to calculate=105,171 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=0.5881785154342651} WEIGHT561A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS562the atoms involved in each of the contacts you wish to calculate=105,174 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=0.52174311876297} WEIGHT562A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS563the atoms involved in each of the contacts you wish to calculate=105,177 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=0.5969133973121643} WEIGHT563A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS564the atoms involved in each of the contacts you wish to calculate=105,178 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=0.5892688035964966} WEIGHT564A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS565the atoms involved in each of the contacts you wish to calculate=106,155 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=0.3067578375339508} WEIGHT565A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS566the atoms involved in each of the contacts you wish to calculate=106,157 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=0.37785062193870544} WEIGHT566A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS567the atoms involved in each of the contacts you wish to calculate=106,159 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=0.3401607871055603} WEIGHT567A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS568the atoms involved in each of the contacts you wish to calculate=106,162 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=0.48088890314102173} WEIGHT568A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS569the atoms involved in each of the contacts you wish to calculate=106,165 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=0.5432841777801514} WEIGHT569A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS570the atoms involved in each of the contacts you wish to calculate=106,168 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=0.510678231716156} WEIGHT570A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS571the atoms involved in each of the contacts you wish to calculate=106,170 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=0.5157387852668762} WEIGHT571A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS572the atoms involved in each of the contacts you wish to calculate=106,171 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=0.555491030216217} WEIGHT572A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS573the atoms involved in each of the contacts you wish to calculate=106,174 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=0.50669926404953} WEIGHT573A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS574the atoms involved in each of the contacts you wish to calculate=106,177 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=0.4765022099018097} WEIGHT574A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS575the atoms involved in each of the contacts you wish to calculate=106,178 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=0.4677118957042694} WEIGHT575A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS576the atoms involved in each of the contacts you wish to calculate=106,179 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=0.5945799350738525} WEIGHT576A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS577the atoms involved in each of the contacts you wish to calculate=107,2489 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=0.5497939586639404} WEIGHT577A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS578the atoms involved in each of the contacts you wish to calculate=107,2491 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=0.595111072063446} WEIGHT578A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS579the atoms involved in each of the contacts you wish to calculate=109,2468 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=0.5939940214157104} WEIGHT579A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS580the atoms involved in each of the contacts you wish to calculate=109,2472 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=0.46326780319213867} WEIGHT580A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS581the atoms involved in each of the contacts you wish to calculate=109,2487 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=0.5697310566902161} WEIGHT581A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS582the atoms involved in each of the contacts you wish to calculate=109,2489 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=0.4655928611755371} WEIGHT582A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS583the atoms involved in each of the contacts you wish to calculate=109,2491 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=0.5268895626068115} WEIGHT583A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS584the atoms involved in each of the contacts you wish to calculate=111,2468 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=0.5594031810760498} WEIGHT584A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS585the atoms involved in each of the contacts you wish to calculate=111,2472 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=0.4284272789955139} WEIGHT585A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS586the atoms involved in each of the contacts you wish to calculate=111,2487 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=0.5135896801948547} WEIGHT586A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS587the atoms involved in each of the contacts you wish to calculate=111,2489 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=0.3886050283908844} WEIGHT587A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS588the atoms involved in each of the contacts you wish to calculate=111,2491 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=0.4210628569126129} WEIGHT588A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS589the atoms involved in each of the contacts you wish to calculate=111,2493 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=0.5593695044517517} WEIGHT589A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS590the atoms involved in each of the contacts you wish to calculate=114,2466 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=0.5161994099617004} WEIGHT590A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS591the atoms involved in each of the contacts you wish to calculate=114,2468 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=0.46580779552459717} WEIGHT591A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS592the atoms involved in each of the contacts you wish to calculate=114,2469 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=0.5687714219093323} WEIGHT592A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS593the atoms involved in each of the contacts you wish to calculate=114,2472 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=0.33818772435188293} WEIGHT593A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS594the atoms involved in each of the contacts you wish to calculate=114,2487 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=0.5110100507736206} WEIGHT594A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS595the atoms involved in each of the contacts you wish to calculate=114,2489 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=0.39540964365005493} WEIGHT595A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS596the atoms involved in each of the contacts you wish to calculate=114,2491 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=0.4363037049770355} WEIGHT596A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS597the atoms involved in each of the contacts you wish to calculate=114,2493 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=0.5742639303207397} WEIGHT597A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS598the atoms involved in each of the contacts you wish to calculate=115,2457 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=0.5787242650985718} WEIGHT598A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS599the atoms involved in each of the contacts you wish to calculate=115,2460 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=0.5918317437171936} WEIGHT599A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS600the atoms involved in each of the contacts you wish to calculate=115,2463 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=0.5619649887084961} WEIGHT600A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS601the atoms involved in each of the contacts you wish to calculate=115,2466 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=0.42379793524742126} WEIGHT601A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS602the atoms involved in each of the contacts you wish to calculate=115,2468 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=0.39985743165016174} WEIGHT602A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS603the atoms involved in each of the contacts you wish to calculate=115,2469 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=0.5197632908821106} WEIGHT603A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS604the atoms involved in each of the contacts you wish to calculate=115,2472 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=0.288034588098526} WEIGHT604A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS605the atoms involved in each of the contacts you wish to calculate=115,2476 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=0.5981521606445312} WEIGHT605A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS606the atoms involved in each of the contacts you wish to calculate=115,2484 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=0.5783767104148865} WEIGHT606A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS607the atoms involved in each of the contacts you wish to calculate=115,2485 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=0.5556961297988892} WEIGHT607A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS608the atoms involved in each of the contacts you wish to calculate=115,2487 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=0.4485577642917633} WEIGHT608A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS609the atoms involved in each of the contacts you wish to calculate=115,2489 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=0.3388477861881256} WEIGHT609A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS610the atoms involved in each of the contacts you wish to calculate=115,2491 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=0.3703051507472992} WEIGHT610A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS611the atoms involved in each of the contacts you wish to calculate=115,2493 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=0.4994155466556549} WEIGHT611A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS612the atoms involved in each of the contacts you wish to calculate=116,2466 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=0.5568642020225525} WEIGHT612A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS613the atoms involved in each of the contacts you wish to calculate=116,2468 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=0.501131534576416} WEIGHT613A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS614the atoms involved in each of the contacts you wish to calculate=116,2469 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=0.5935696959495544} WEIGHT614A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS615the atoms involved in each of the contacts you wish to calculate=116,2472 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=0.3788784146308899} WEIGHT615A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS616the atoms involved in each of the contacts you wish to calculate=116,2489 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=0.5107741951942444} WEIGHT616A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS617the atoms involved in each of the contacts you wish to calculate=116,2491 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=0.5592229962348938} WEIGHT617A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS618the atoms involved in each of the contacts you wish to calculate=117,2468 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=0.5057409405708313} WEIGHT618A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS619the atoms involved in each of the contacts you wish to calculate=117,2469 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=0.5475164651870728} WEIGHT619A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS620the atoms involved in each of the contacts you wish to calculate=117,2472 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=0.3864324688911438} WEIGHT620A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS621the atoms involved in each of the contacts you wish to calculate=117,2487 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=0.4913192689418793} WEIGHT621A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS622the atoms involved in each of the contacts you wish to calculate=117,2489 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=0.4177892804145813} WEIGHT622A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS623the atoms involved in each of the contacts you wish to calculate=117,2491 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=0.5136339664459229} WEIGHT623A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS624the atoms involved in each of the contacts you wish to calculate=118,2466 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=0.5529361963272095} WEIGHT624A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS625the atoms involved in each of the contacts you wish to calculate=118,2468 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=0.4345676004886627} WEIGHT625A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS626the atoms involved in each of the contacts you wish to calculate=118,2469 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=0.4587344825267792} WEIGHT626A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS627the atoms involved in each of the contacts you wish to calculate=118,2472 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=0.3258269727230072} WEIGHT627A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS628the atoms involved in each of the contacts you wish to calculate=118,2487 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=0.5057229399681091} WEIGHT628A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS629the atoms involved in each of the contacts you wish to calculate=118,2489 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=0.45390406250953674} WEIGHT629A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS630the atoms involved in each of the contacts you wish to calculate=118,2491 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=0.5665836930274963} WEIGHT630A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS631the atoms involved in each of the contacts you wish to calculate=119,2468 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=0.5575348734855652} WEIGHT631A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS632the atoms involved in each of the contacts you wish to calculate=119,2469 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=0.5859995484352112} WEIGHT632A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS633the atoms involved in each of the contacts you wish to calculate=119,2472 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=0.45294293761253357} WEIGHT633A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS634the atoms involved in each of the contacts you wish to calculate=119,2485 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=0.5917377471923828} WEIGHT634A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS635the atoms involved in each of the contacts you wish to calculate=119,2487 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=0.46437665820121765} WEIGHT635A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS636the atoms involved in each of the contacts you wish to calculate=119,2489 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=0.4096108376979828} WEIGHT636A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS637the atoms involved in each of the contacts you wish to calculate=119,2491 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=0.5075125694274902} WEIGHT637A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS638the atoms involved in each of the contacts you wish to calculate=121,2468 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=0.5554844737052917} WEIGHT638A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS639the atoms involved in each of the contacts you wish to calculate=121,2469 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=0.5543693900108337} WEIGHT639A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS640the atoms involved in each of the contacts you wish to calculate=121,2472 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=0.4779050052165985} WEIGHT640A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS641the atoms involved in each of the contacts you wish to calculate=121,2485 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=0.5731696486473083} WEIGHT641A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS642the atoms involved in each of the contacts you wish to calculate=121,2487 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=0.4545432925224304} WEIGHT642A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS643the atoms involved in each of the contacts you wish to calculate=121,2489 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=0.4435187876224518} WEIGHT643A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS644the atoms involved in each of the contacts you wish to calculate=121,2491 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=0.5580437183380127} WEIGHT644A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS645the atoms involved in each of the contacts you wish to calculate=123,2472 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=0.548585832118988} WEIGHT645A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS646the atoms involved in each of the contacts you wish to calculate=123,2484 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=0.5859228372573853} WEIGHT646A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS647the atoms involved in each of the contacts you wish to calculate=123,2485 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=0.5053396224975586} WEIGHT647A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS648the atoms involved in each of the contacts you wish to calculate=123,2487 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=0.412972629070282} WEIGHT648A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS649the atoms involved in each of the contacts you wish to calculate=123,2489 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=0.42444077134132385} WEIGHT649A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS650the atoms involved in each of the contacts you wish to calculate=123,2491 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=0.5252939462661743} WEIGHT650A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS651the atoms involved in each of the contacts you wish to calculate=123,2493 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=0.5974696278572083} WEIGHT651A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS652the atoms involved in each of the contacts you wish to calculate=123,2627 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=0.5731010437011719} WEIGHT652A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS653the atoms involved in each of the contacts you wish to calculate=126,630 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=0.5353927612304688} WEIGHT653A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS654the atoms involved in each of the contacts you wish to calculate=126,633 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=0.5973686575889587} WEIGHT654A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS655the atoms involved in each of the contacts you wish to calculate=126,639 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=0.517166256904602} WEIGHT655A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS656the atoms involved in each of the contacts you wish to calculate=126,646 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=0.5945161581039429} WEIGHT656A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS657the atoms involved in each of the contacts you wish to calculate=126,647 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=0.5499789118766785} WEIGHT657A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS658the atoms involved in each of the contacts you wish to calculate=126,705 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=0.4765685796737671} WEIGHT658A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS659the atoms involved in each of the contacts you wish to calculate=126,2485 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=0.5263640284538269} WEIGHT659A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS660the atoms involved in each of the contacts you wish to calculate=126,2487 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=0.4592922031879425} WEIGHT660A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS661the atoms involved in each of the contacts you wish to calculate=126,2489 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=0.5120242238044739} WEIGHT661A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS662the atoms involved in each of the contacts you wish to calculate=128,630 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=0.5649122595787048} WEIGHT662A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS663the atoms involved in each of the contacts you wish to calculate=128,636 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=0.5940715670585632} WEIGHT663A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS664the atoms involved in each of the contacts you wish to calculate=128,639 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=0.4613213837146759} WEIGHT664A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS665the atoms involved in each of the contacts you wish to calculate=128,642 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=0.5137355327606201} WEIGHT665A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS666the atoms involved in each of the contacts you wish to calculate=128,647 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=0.5830925703048706} WEIGHT666A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS667the atoms involved in each of the contacts you wish to calculate=128,705 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=0.5121579766273499} WEIGHT667A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS668the atoms involved in each of the contacts you wish to calculate=128,2468 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=0.5553255081176758} WEIGHT668A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS669the atoms involved in each of the contacts you wish to calculate=128,2469 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=0.5142049193382263} WEIGHT669A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS670the atoms involved in each of the contacts you wish to calculate=128,2472 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=0.5488356947898865} WEIGHT670A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS671the atoms involved in each of the contacts you wish to calculate=128,2484 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=0.5893114805221558} WEIGHT671A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS672the atoms involved in each of the contacts you wish to calculate=128,2485 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=0.47012579441070557} WEIGHT672A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS673the atoms involved in each of the contacts you wish to calculate=128,2487 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=0.40698471665382385} WEIGHT673A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS674the atoms involved in each of the contacts you wish to calculate=128,2489 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=0.49016961455345154} WEIGHT674A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS675the atoms involved in each of the contacts you wish to calculate=132,630 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=0.5928357243537903} WEIGHT675A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS676the atoms involved in each of the contacts you wish to calculate=132,639 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=0.5942855477333069} WEIGHT676A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS677the atoms involved in each of the contacts you wish to calculate=132,646 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=0.5856091380119324} WEIGHT677A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS678the atoms involved in each of the contacts you wish to calculate=132,647 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=0.5205259919166565} WEIGHT678A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS679the atoms involved in each of the contacts you wish to calculate=132,697 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=0.5988277792930603} WEIGHT679A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS680the atoms involved in each of the contacts you wish to calculate=132,699 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=0.48210594058036804} WEIGHT680A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS681the atoms involved in each of the contacts you wish to calculate=132,701 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=0.47332215309143066} WEIGHT681A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS682the atoms involved in each of the contacts you wish to calculate=132,705 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=0.3725535571575165} WEIGHT682A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS683the atoms involved in each of the contacts you wish to calculate=132,2484 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=0.5732763409614563} WEIGHT683A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS684the atoms involved in each of the contacts you wish to calculate=132,2485 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=0.4970130920410156} WEIGHT684A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS685the atoms involved in each of the contacts you wish to calculate=132,2487 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=0.4672197699546814} WEIGHT685A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS686the atoms involved in each of the contacts you wish to calculate=132,2489 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=0.5294206142425537} WEIGHT686A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS687the atoms involved in each of the contacts you wish to calculate=132,2579 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=0.510424017906189} WEIGHT687A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS688the atoms involved in each of the contacts you wish to calculate=132,2625 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=0.5722167491912842} WEIGHT688A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS689the atoms involved in each of the contacts you wish to calculate=132,2627 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=0.5123468041419983} WEIGHT689A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS690the atoms involved in each of the contacts you wish to calculate=132,2631 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=0.5535756945610046} WEIGHT690A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS691the atoms involved in each of the contacts you wish to calculate=136,630 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=0.5946613550186157} WEIGHT691A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS692the atoms involved in each of the contacts you wish to calculate=136,2472 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=0.581919252872467} WEIGHT692A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS693the atoms involved in each of the contacts you wish to calculate=136,2487 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=0.5984298586845398} WEIGHT693A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS694the atoms involved in each of the contacts you wish to calculate=136,2489 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=0.5946473479270935} WEIGHT694A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS695the atoms involved in each of the contacts you wish to calculate=137,630 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=0.529457151889801} WEIGHT695A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS696the atoms involved in each of the contacts you wish to calculate=137,633 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=0.5152269005775452} WEIGHT696A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS697the atoms involved in each of the contacts you wish to calculate=137,636 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=0.5650524497032166} WEIGHT697A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS698the atoms involved in each of the contacts you wish to calculate=137,639 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=0.5070311427116394} WEIGHT698A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS699the atoms involved in each of the contacts you wish to calculate=140,584 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=0.595639169216156} WEIGHT699A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS700the atoms involved in each of the contacts you wish to calculate=140,588 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=0.5598883032798767} WEIGHT700A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS701the atoms involved in each of the contacts you wish to calculate=140,592 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=0.5710936188697815} WEIGHT701A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS702the atoms involved in each of the contacts you wish to calculate=140,630 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=0.5750530958175659} WEIGHT702A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS703the atoms involved in each of the contacts you wish to calculate=140,633 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=0.5933157801628113} WEIGHT703A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS704the atoms involved in each of the contacts you wish to calculate=142,584 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=0.5324715971946716} WEIGHT704A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS705the atoms involved in each of the contacts you wish to calculate=142,586 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=0.5091816782951355} WEIGHT705A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS706the atoms involved in each of the contacts you wish to calculate=142,588 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=0.4397691488265991} WEIGHT706A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS707the atoms involved in each of the contacts you wish to calculate=142,592 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=0.48562726378440857} WEIGHT707A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS708the atoms involved in each of the contacts you wish to calculate=142,595 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=0.5766509175300598} WEIGHT708A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS709the atoms involved in each of the contacts you wish to calculate=145,584 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=0.5272219777107239} WEIGHT709A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS710the atoms involved in each of the contacts you wish to calculate=145,586 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=0.5133622288703918} WEIGHT710A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS711the atoms involved in each of the contacts you wish to calculate=145,588 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=0.41722142696380615} WEIGHT711A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS712the atoms involved in each of the contacts you wish to calculate=145,592 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=0.5308302640914917} WEIGHT712A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS713the atoms involved in each of the contacts you wish to calculate=145,594 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=0.5641929507255554} WEIGHT713A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS714the atoms involved in each of the contacts you wish to calculate=145,595 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=0.5086303949356079} WEIGHT714A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS715the atoms involved in each of the contacts you wish to calculate=145,630 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=0.548515260219574} WEIGHT715A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS716the atoms involved in each of the contacts you wish to calculate=145,652 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=0.5973715782165527} WEIGHT716A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS717the atoms involved in each of the contacts you wish to calculate=148,580 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=0.5916053652763367} WEIGHT717A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS718the atoms involved in each of the contacts you wish to calculate=148,581 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=0.5268579721450806} WEIGHT718A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS719the atoms involved in each of the contacts you wish to calculate=148,582 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=0.5635003447532654} WEIGHT719A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS720the atoms involved in each of the contacts you wish to calculate=148,584 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=0.4417250156402588} WEIGHT720A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS721the atoms involved in each of the contacts you wish to calculate=148,586 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=0.47522252798080444} WEIGHT721A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS722the atoms involved in each of the contacts you wish to calculate=148,588 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=0.40428638458251953} WEIGHT722A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS723the atoms involved in each of the contacts you wish to calculate=148,592 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=0.5273732542991638} WEIGHT723A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS724the atoms involved in each of the contacts you wish to calculate=148,594 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=0.44839680194854736} WEIGHT724A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS725the atoms involved in each of the contacts you wish to calculate=148,595 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=0.369035005569458} WEIGHT725A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS726the atoms involved in each of the contacts you wish to calculate=148,596 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=0.574969470500946} WEIGHT726A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS727the atoms involved in each of the contacts you wish to calculate=148,626 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=0.5440005660057068} WEIGHT727A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS728the atoms involved in each of the contacts you wish to calculate=148,628 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=0.46783921122550964} WEIGHT728A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS729the atoms involved in each of the contacts you wish to calculate=148,630 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=0.37914806604385376} WEIGHT729A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS730the atoms involved in each of the contacts you wish to calculate=148,633 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=0.4787598252296448} WEIGHT730A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS731the atoms involved in each of the contacts you wish to calculate=148,639 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=0.5918183922767639} WEIGHT731A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS732the atoms involved in each of the contacts you wish to calculate=148,646 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=0.4437062442302704} WEIGHT732A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS733the atoms involved in each of the contacts you wish to calculate=148,647 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=0.49258583784103394} WEIGHT733A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS734the atoms involved in each of the contacts you wish to calculate=148,648 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=0.43210315704345703} WEIGHT734A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS735the atoms involved in each of the contacts you wish to calculate=148,650 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=0.4671936631202698} WEIGHT735A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS736the atoms involved in each of the contacts you wish to calculate=148,652 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=0.4752376675605774} WEIGHT736A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS737the atoms involved in each of the contacts you wish to calculate=148,655 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=0.5735578536987305} WEIGHT737A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS738the atoms involved in each of the contacts you wish to calculate=148,656 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=0.5656972527503967} WEIGHT738A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS739the atoms involved in each of the contacts you wish to calculate=148,705 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=0.5874531269073486} WEIGHT739A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS740the atoms involved in each of the contacts you wish to calculate=149,584 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=0.573193371295929} WEIGHT740A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS741the atoms involved in each of the contacts you wish to calculate=149,588 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=0.5182458758354187} WEIGHT741A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS742the atoms involved in each of the contacts you wish to calculate=149,594 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=0.5363684296607971} WEIGHT742A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS743the atoms involved in each of the contacts you wish to calculate=149,595 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=0.43141162395477295} WEIGHT743A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS744the atoms involved in each of the contacts you wish to calculate=149,626 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=0.5707555413246155} WEIGHT744A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS745the atoms involved in each of the contacts you wish to calculate=149,628 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=0.47160837054252625} WEIGHT745A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS746the atoms involved in each of the contacts you wish to calculate=149,630 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=0.4259277284145355} WEIGHT746A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS747the atoms involved in each of the contacts you wish to calculate=149,633 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=0.554869532585144} WEIGHT747A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS748the atoms involved in each of the contacts you wish to calculate=149,646 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=0.3942033648490906} WEIGHT748A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS749the atoms involved in each of the contacts you wish to calculate=149,647 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=0.40702053904533386} WEIGHT749A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS750the atoms involved in each of the contacts you wish to calculate=149,648 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=0.37880098819732666} WEIGHT750A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS751the atoms involved in each of the contacts you wish to calculate=149,650 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=0.3668091595172882} WEIGHT751A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS752the atoms involved in each of the contacts you wish to calculate=149,652 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=0.39344629645347595} WEIGHT752A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS753the atoms involved in each of the contacts you wish to calculate=149,655 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=0.4652674198150635} WEIGHT753A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS754the atoms involved in each of the contacts you wish to calculate=149,656 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=0.43051859736442566} WEIGHT754A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS755the atoms involved in each of the contacts you wish to calculate=149,658 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=0.5480756759643555} WEIGHT755A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS756the atoms involved in each of the contacts you wish to calculate=149,667 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=0.5046996474266052} WEIGHT756A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS757the atoms involved in each of the contacts you wish to calculate=149,668 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=0.5402522683143616} WEIGHT757A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS758the atoms involved in each of the contacts you wish to calculate=149,699 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=0.5241203308105469} WEIGHT758A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS759the atoms involved in each of the contacts you wish to calculate=149,701 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=0.5877852439880371} WEIGHT759A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS760the atoms involved in each of the contacts you wish to calculate=149,705 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=0.433716356754303} WEIGHT760A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS761the atoms involved in each of the contacts you wish to calculate=149,2625 SWITCH761The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5765672326087952} WEIGHT761A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS762the atoms involved in each of the contacts you wish to calculate=149,2627 SWITCH762The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.593357503414154} WEIGHT762A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS763the atoms involved in each of the contacts you wish to calculate=149,2631 SWITCH763The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5957211852073669} WEIGHT763A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS764the atoms involved in each of the contacts you wish to calculate=153,526 SWITCH764The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5867559909820557} WEIGHT764A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS765the atoms involved in each of the contacts you wish to calculate=153,592 SWITCH765The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750492811203003} WEIGHT765A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS766the atoms involved in each of the contacts you wish to calculate=154,524 SWITCH766The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.577567994594574} WEIGHT766A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS767the atoms involved in each of the contacts you wish to calculate=154,525 SWITCH767The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5767742991447449} WEIGHT767A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS768the atoms involved in each of the contacts you wish to calculate=154,526 SWITCH768The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49007007479667664} WEIGHT768A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS769the atoms involved in each of the contacts you wish to calculate=154,572 SWITCH769The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5978250503540039} WEIGHT769A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS770the atoms involved in each of the contacts you wish to calculate=154,577 SWITCH770The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5662272572517395} WEIGHT770A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS771the atoms involved in each of the contacts you wish to calculate=154,581 SWITCH771The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5363260507583618} WEIGHT771A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS772the atoms involved in each of the contacts you wish to calculate=154,584 SWITCH772The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5684237480163574} WEIGHT772A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS773the atoms involved in each of the contacts you wish to calculate=154,586 SWITCH773The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5699453949928284} WEIGHT773A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS774the atoms involved in each of the contacts you wish to calculate=154,588 SWITCH774The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.578111469745636} WEIGHT774A weight value for a given contact, by default is 1=0.0012903225806451613
ATOMS775the atoms involved in each of the contacts you wish to calculate=154,592 SWITCH775The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49099254608154297} WEIGHT775A weight value for a given contact, by default is 1=0.0012903225806451613
LABELa label for the action so that its output can be referenced in the input to other actions=qThe CONTACTMAP action with label q calculates the following quantities:
 Quantity   
 Type   
 Description  
q
scalar
the sum of all the switching function on all the distances
SUM calculate the sum of all the contacts in the input
NOPBC ignore the periodic boundary conditions when calculating distances
... CONTACTMAP

CONTACTMAPCalculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details ...
ATOMS1the atoms involved in each of the contacts you wish to calculate=73,584 SWITCH1The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0104904174804688} WEIGHT1A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS2the atoms involved in each of the contacts you wish to calculate=73,586 SWITCH2The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9691793918609619} WEIGHT2A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS3the atoms involved in each of the contacts you wish to calculate=73,588 SWITCH3The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8419557213783264} WEIGHT3A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS4the atoms involved in each of the contacts you wish to calculate=73,592 SWITCH4The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9758177995681763} WEIGHT4A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS5the atoms involved in each of the contacts you wish to calculate=73,650 SWITCH5The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9309435486793518} WEIGHT5A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS6the atoms involved in each of the contacts you wish to calculate=73,652 SWITCH6The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9082626700401306} WEIGHT6A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS7the atoms involved in each of the contacts you wish to calculate=73,655 SWITCH7The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9031504392623901} WEIGHT7A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS8the atoms involved in each of the contacts you wish to calculate=73,656 SWITCH8The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.800478458404541} WEIGHT8A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS9the atoms involved in each of the contacts you wish to calculate=73,658 SWITCH9The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8262046575546265} WEIGHT9A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS10the atoms involved in each of the contacts you wish to calculate=73,660 SWITCH10The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9544553756713867} WEIGHT10A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS11the atoms involved in each of the contacts you wish to calculate=73,661 SWITCH11The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0169137716293335} WEIGHT11A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS12the atoms involved in each of the contacts you wish to calculate=73,663 SWITCH12The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0473077297210693} WEIGHT12A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS13the atoms involved in each of the contacts you wish to calculate=73,665 SWITCH13The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0195348262786865} WEIGHT13A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS14the atoms involved in each of the contacts you wish to calculate=73,2623 SWITCH14The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5388705730438232} WEIGHT14A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS15the atoms involved in each of the contacts you wish to calculate=73,2625 SWITCH15The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48216524720191956} WEIGHT15A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS16the atoms involved in each of the contacts you wish to calculate=73,2627 SWITCH16The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.395525187253952} WEIGHT16A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS17the atoms involved in each of the contacts you wish to calculate=73,2631 SWITCH17The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6100140810012817} WEIGHT17A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS18the atoms involved in each of the contacts you wish to calculate=73,2670 SWITCH18The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6875495910644531} WEIGHT18A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS19the atoms involved in each of the contacts you wish to calculate=73,2672 SWITCH19The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441213250160217} WEIGHT19A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS20the atoms involved in each of the contacts you wish to calculate=73,2675 SWITCH20The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5434494614601135} WEIGHT20A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS21the atoms involved in each of the contacts you wish to calculate=73,2678 SWITCH21The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6727513074874878} WEIGHT21A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS22the atoms involved in each of the contacts you wish to calculate=73,2679 SWITCH22The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7739260196685791} WEIGHT22A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS23the atoms involved in each of the contacts you wish to calculate=73,2680 SWITCH23The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7069159746170044} WEIGHT23A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS24the atoms involved in each of the contacts you wish to calculate=73,2687 SWITCH24The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7936853170394897} WEIGHT24A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS25the atoms involved in each of the contacts you wish to calculate=73,2689 SWITCH25The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8234379887580872} WEIGHT25A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS26the atoms involved in each of the contacts you wish to calculate=73,2692 SWITCH26The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8289691209793091} WEIGHT26A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS27the atoms involved in each of the contacts you wish to calculate=73,2695 SWITCH27The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9747817516326904} WEIGHT27A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS28the atoms involved in each of the contacts you wish to calculate=73,2698 SWITCH28The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.016952395439148} WEIGHT28A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS29the atoms involved in each of the contacts you wish to calculate=73,2700 SWITCH29The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.03352952003479} WEIGHT29A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS30the atoms involved in each of the contacts you wish to calculate=73,2701 SWITCH30The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0054712295532227} WEIGHT30A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS31the atoms involved in each of the contacts you wish to calculate=73,2704 SWITCH31The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1031029224395752} WEIGHT31A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS32the atoms involved in each of the contacts you wish to calculate=75,584 SWITCH32The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0233336687088013} WEIGHT32A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS33the atoms involved in each of the contacts you wish to calculate=75,586 SWITCH33The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.962285578250885} WEIGHT33A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS34the atoms involved in each of the contacts you wish to calculate=75,588 SWITCH34The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.824657678604126} WEIGHT34A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS35the atoms involved in each of the contacts you wish to calculate=75,592 SWITCH35The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9709404110908508} WEIGHT35A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS36the atoms involved in each of the contacts you wish to calculate=75,650 SWITCH36The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9557713270187378} WEIGHT36A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS37the atoms involved in each of the contacts you wish to calculate=75,652 SWITCH37The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9094404578208923} WEIGHT37A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS38the atoms involved in each of the contacts you wish to calculate=75,655 SWITCH38The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8884962201118469} WEIGHT38A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS39the atoms involved in each of the contacts you wish to calculate=75,656 SWITCH39The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7862153649330139} WEIGHT39A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS40the atoms involved in each of the contacts you wish to calculate=75,658 SWITCH40The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7945192456245422} WEIGHT40A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS41the atoms involved in each of the contacts you wish to calculate=75,660 SWITCH41The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9109082818031311} WEIGHT41A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS42the atoms involved in each of the contacts you wish to calculate=75,661 SWITCH42The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9635561108589172} WEIGHT42A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS43the atoms involved in each of the contacts you wish to calculate=75,663 SWITCH43The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0070005655288696} WEIGHT43A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS44the atoms involved in each of the contacts you wish to calculate=75,665 SWITCH44The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9915522933006287} WEIGHT44A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS45the atoms involved in each of the contacts you wish to calculate=75,2623 SWITCH45The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49890923500061035} WEIGHT45A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS46the atoms involved in each of the contacts you wish to calculate=75,2625 SWITCH46The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4806707203388214} WEIGHT46A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS47the atoms involved in each of the contacts you wish to calculate=75,2627 SWITCH47The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4315405786037445} WEIGHT47A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS48the atoms involved in each of the contacts you wish to calculate=75,2631 SWITCH48The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6263275146484375} WEIGHT48A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS49the atoms involved in each of the contacts you wish to calculate=75,2670 SWITCH49The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442600250244141} WEIGHT49A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS50the atoms involved in each of the contacts you wish to calculate=75,2672 SWITCH50The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3985207974910736} WEIGHT50A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS51the atoms involved in each of the contacts you wish to calculate=75,2675 SWITCH51The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41199761629104614} WEIGHT51A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS52the atoms involved in each of the contacts you wish to calculate=75,2678 SWITCH52The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5404636859893799} WEIGHT52A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS53the atoms involved in each of the contacts you wish to calculate=75,2679 SWITCH53The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6467627882957458} WEIGHT53A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS54the atoms involved in each of the contacts you wish to calculate=75,2680 SWITCH54The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5697199702262878} WEIGHT54A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS55the atoms involved in each of the contacts you wish to calculate=75,2687 SWITCH55The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6806606650352478} WEIGHT55A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS56the atoms involved in each of the contacts you wish to calculate=75,2689 SWITCH56The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7315550446510315} WEIGHT56A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS57the atoms involved in each of the contacts you wish to calculate=75,2692 SWITCH57The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7523897886276245} WEIGHT57A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS58the atoms involved in each of the contacts you wish to calculate=75,2695 SWITCH58The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8971298933029175} WEIGHT58A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS59the atoms involved in each of the contacts you wish to calculate=75,2698 SWITCH59The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.949770987033844} WEIGHT59A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS60the atoms involved in each of the contacts you wish to calculate=75,2700 SWITCH60The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9614227414131165} WEIGHT60A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS61the atoms involved in each of the contacts you wish to calculate=75,2701 SWITCH61The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9177216291427612} WEIGHT61A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS62the atoms involved in each of the contacts you wish to calculate=75,2704 SWITCH62The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.042278528213501} WEIGHT62A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS63the atoms involved in each of the contacts you wish to calculate=78,584 SWITCH63The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8953778743743896} WEIGHT63A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS64the atoms involved in each of the contacts you wish to calculate=78,586 SWITCH64The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.826436460018158} WEIGHT64A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS65the atoms involved in each of the contacts you wish to calculate=78,588 SWITCH65The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6846020817756653} WEIGHT65A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS66the atoms involved in each of the contacts you wish to calculate=78,592 SWITCH66The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.841319739818573} WEIGHT66A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS67the atoms involved in each of the contacts you wish to calculate=78,650 SWITCH67The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8566506505012512} WEIGHT67A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS68the atoms involved in each of the contacts you wish to calculate=78,652 SWITCH68The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7954189777374268} WEIGHT68A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS69the atoms involved in each of the contacts you wish to calculate=78,655 SWITCH69The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.779197633266449} WEIGHT69A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS70the atoms involved in each of the contacts you wish to calculate=78,656 SWITCH70The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6903489828109741} WEIGHT70A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS71the atoms involved in each of the contacts you wish to calculate=78,658 SWITCH71The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7073019742965698} WEIGHT71A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS72the atoms involved in each of the contacts you wish to calculate=78,660 SWITCH72The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8185909986495972} WEIGHT72A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS73the atoms involved in each of the contacts you wish to calculate=78,661 SWITCH73The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8821538686752319} WEIGHT73A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS74the atoms involved in each of the contacts you wish to calculate=78,663 SWITCH74The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9021505117416382} WEIGHT74A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS75the atoms involved in each of the contacts you wish to calculate=78,665 SWITCH75The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8788227438926697} WEIGHT75A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS76the atoms involved in each of the contacts you wish to calculate=78,2623 SWITCH76The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5147303938865662} WEIGHT76A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS77the atoms involved in each of the contacts you wish to calculate=78,2625 SWITCH77The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48978909850120544} WEIGHT77A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS78the atoms involved in each of the contacts you wish to calculate=78,2627 SWITCH78The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4794395864009857} WEIGHT78A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS79the atoms involved in each of the contacts you wish to calculate=78,2631 SWITCH79The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6308432221412659} WEIGHT79A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS80the atoms involved in each of the contacts you wish to calculate=78,2670 SWITCH80The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5071703791618347} WEIGHT80A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS81the atoms involved in each of the contacts you wish to calculate=78,2672 SWITCH81The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38238435983657837} WEIGHT81A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS82the atoms involved in each of the contacts you wish to calculate=78,2675 SWITCH82The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44780001044273376} WEIGHT82A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS83the atoms involved in each of the contacts you wish to calculate=78,2678 SWITCH83The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822161436080933} WEIGHT83A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS84the atoms involved in each of the contacts you wish to calculate=78,2679 SWITCH84The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6853764653205872} WEIGHT84A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS85the atoms involved in each of the contacts you wish to calculate=78,2680 SWITCH85The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6104338765144348} WEIGHT85A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS86the atoms involved in each of the contacts you wish to calculate=78,2687 SWITCH86The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681637525558472} WEIGHT86A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS87the atoms involved in each of the contacts you wish to calculate=78,2689 SWITCH87The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6173281073570251} WEIGHT87A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS88the atoms involved in each of the contacts you wish to calculate=78,2692 SWITCH88The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6211035251617432} WEIGHT88A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS89the atoms involved in each of the contacts you wish to calculate=78,2695 SWITCH89The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7613497972488403} WEIGHT89A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS90the atoms involved in each of the contacts you wish to calculate=78,2698 SWITCH90The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.80573970079422} WEIGHT90A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS91the atoms involved in each of the contacts you wish to calculate=78,2700 SWITCH91The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8127626776695251} WEIGHT91A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS92the atoms involved in each of the contacts you wish to calculate=78,2701 SWITCH92The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7709037661552429} WEIGHT92A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS93the atoms involved in each of the contacts you wish to calculate=78,2704 SWITCH93The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8918531537055969} WEIGHT93A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS94the atoms involved in each of the contacts you wish to calculate=79,584 SWITCH94The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.87324059009552} WEIGHT94A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS95the atoms involved in each of the contacts you wish to calculate=79,586 SWITCH95The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8051860928535461} WEIGHT95A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS96the atoms involved in each of the contacts you wish to calculate=79,588 SWITCH96The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6557267904281616} WEIGHT96A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS97the atoms involved in each of the contacts you wish to calculate=79,592 SWITCH97The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8417174816131592} WEIGHT97A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS98the atoms involved in each of the contacts you wish to calculate=79,650 SWITCH98The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7754189372062683} WEIGHT98A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS99the atoms involved in each of the contacts you wish to calculate=79,652 SWITCH99The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7017617225646973} WEIGHT99A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS100the atoms involved in each of the contacts you wish to calculate=79,655 SWITCH100The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6671515703201294} WEIGHT100A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS101the atoms involved in each of the contacts you wish to calculate=79,656 SWITCH101The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750181674957275} WEIGHT101A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS102the atoms involved in each of the contacts you wish to calculate=79,658 SWITCH102The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793154835700989} WEIGHT102A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS103the atoms involved in each of the contacts you wish to calculate=79,660 SWITCH103The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.684518575668335} WEIGHT103A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS104the atoms involved in each of the contacts you wish to calculate=79,661 SWITCH104The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7448719143867493} WEIGHT104A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS105the atoms involved in each of the contacts you wish to calculate=79,663 SWITCH105The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.771101713180542} WEIGHT105A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS106the atoms involved in each of the contacts you wish to calculate=79,665 SWITCH106The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7575629353523254} WEIGHT106A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS107the atoms involved in each of the contacts you wish to calculate=79,2623 SWITCH107The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43549710512161255} WEIGHT107A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS108the atoms involved in each of the contacts you wish to calculate=79,2625 SWITCH108The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42063960433006287} WEIGHT108A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS109the atoms involved in each of the contacts you wish to calculate=79,2627 SWITCH109The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45383113622665405} WEIGHT109A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS110the atoms involved in each of the contacts you wish to calculate=79,2631 SWITCH110The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5564976930618286} WEIGHT110A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS111the atoms involved in each of the contacts you wish to calculate=79,2670 SWITCH111The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43737632036209106} WEIGHT111A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS112the atoms involved in each of the contacts you wish to calculate=79,2672 SWITCH112The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3410423994064331} WEIGHT112A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS113the atoms involved in each of the contacts you wish to calculate=79,2675 SWITCH113The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4256419837474823} WEIGHT113A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS114the atoms involved in each of the contacts you wish to calculate=79,2678 SWITCH114The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5683361291885376} WEIGHT114A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS115the atoms involved in each of the contacts you wish to calculate=79,2679 SWITCH115The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6552764773368835} WEIGHT115A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS116the atoms involved in each of the contacts you wish to calculate=79,2680 SWITCH116The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6172581315040588} WEIGHT116A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS117the atoms involved in each of the contacts you wish to calculate=79,2687 SWITCH117The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4459441602230072} WEIGHT117A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS118the atoms involved in each of the contacts you wish to calculate=79,2689 SWITCH118The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48267608880996704} WEIGHT118A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS119the atoms involved in each of the contacts you wish to calculate=79,2692 SWITCH119The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4962373971939087} WEIGHT119A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS120the atoms involved in each of the contacts you wish to calculate=79,2695 SWITCH120The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6417738199234009} WEIGHT120A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS121the atoms involved in each of the contacts you wish to calculate=79,2698 SWITCH121The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7006986141204834} WEIGHT121A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS122the atoms involved in each of the contacts you wish to calculate=79,2700 SWITCH122The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7232404351234436} WEIGHT122A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS123the atoms involved in each of the contacts you wish to calculate=79,2701 SWITCH123The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6868088245391846} WEIGHT123A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS124the atoms involved in each of the contacts you wish to calculate=79,2704 SWITCH124The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.814084529876709} WEIGHT124A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS125the atoms involved in each of the contacts you wish to calculate=81,584 SWITCH125The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7752840518951416} WEIGHT125A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS126the atoms involved in each of the contacts you wish to calculate=81,586 SWITCH126The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6959519386291504} WEIGHT126A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS127the atoms involved in each of the contacts you wish to calculate=81,588 SWITCH127The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.54373699426651} WEIGHT127A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS128the atoms involved in each of the contacts you wish to calculate=81,592 SWITCH128The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.739473283290863} WEIGHT128A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS129the atoms involved in each of the contacts you wish to calculate=81,650 SWITCH129The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7221040725708008} WEIGHT129A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS130the atoms involved in each of the contacts you wish to calculate=81,652 SWITCH130The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6284149289131165} WEIGHT130A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS131the atoms involved in each of the contacts you wish to calculate=81,655 SWITCH131The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5999292135238647} WEIGHT131A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS132the atoms involved in each of the contacts you wish to calculate=81,656 SWITCH132The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5315840244293213} WEIGHT132A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS133the atoms involved in each of the contacts you wish to calculate=81,658 SWITCH133The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545782208442688} WEIGHT133A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS134the atoms involved in each of the contacts you wish to calculate=81,660 SWITCH134The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6372515559196472} WEIGHT134A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS135the atoms involved in each of the contacts you wish to calculate=81,661 SWITCH135The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.708910346031189} WEIGHT135A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS136the atoms involved in each of the contacts you wish to calculate=81,663 SWITCH136The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7040637135505676} WEIGHT136A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS137the atoms involved in each of the contacts you wish to calculate=81,665 SWITCH137The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6811647415161133} WEIGHT137A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS138the atoms involved in each of the contacts you wish to calculate=81,2623 SWITCH138The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294727683067322} WEIGHT138A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS139the atoms involved in each of the contacts you wish to calculate=81,2625 SWITCH139The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.512668788433075} WEIGHT139A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS140the atoms involved in each of the contacts you wish to calculate=81,2627 SWITCH140The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677062273025513} WEIGHT140A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS141the atoms involved in each of the contacts you wish to calculate=81,2631 SWITCH141The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6317002177238464} WEIGHT141A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS142the atoms involved in each of the contacts you wish to calculate=81,2670 SWITCH142The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613306224346161} WEIGHT142A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS143the atoms involved in each of the contacts you wish to calculate=81,2672 SWITCH143The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40188300609588623} WEIGHT143A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS144the atoms involved in each of the contacts you wish to calculate=81,2675 SWITCH144The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5175354480743408} WEIGHT144A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS145the atoms involved in each of the contacts you wish to calculate=81,2678 SWITCH145The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6488434076309204} WEIGHT145A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS146the atoms involved in each of the contacts you wish to calculate=81,2679 SWITCH146The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.730585515499115} WEIGHT146A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS147the atoms involved in each of the contacts you wish to calculate=81,2680 SWITCH147The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6888392567634583} WEIGHT147A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS148the atoms involved in each of the contacts you wish to calculate=81,2687 SWITCH148The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3645520508289337} WEIGHT148A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS149the atoms involved in each of the contacts you wish to calculate=81,2689 SWITCH149The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40052488446235657} WEIGHT149A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS150the atoms involved in each of the contacts you wish to calculate=81,2692 SWITCH150The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38619619607925415} WEIGHT150A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS151the atoms involved in each of the contacts you wish to calculate=81,2695 SWITCH151The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5229702591896057} WEIGHT151A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS152the atoms involved in each of the contacts you wish to calculate=81,2698 SWITCH152The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5706301927566528} WEIGHT152A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS153the atoms involved in each of the contacts you wish to calculate=81,2700 SWITCH153The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5851844549179077} WEIGHT153A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS154the atoms involved in each of the contacts you wish to calculate=81,2701 SWITCH154The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488705039024353} WEIGHT154A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS155the atoms involved in each of the contacts you wish to calculate=81,2704 SWITCH155The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6755515336990356} WEIGHT155A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS156the atoms involved in each of the contacts you wish to calculate=83,584 SWITCH156The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6959714889526367} WEIGHT156A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS157the atoms involved in each of the contacts you wish to calculate=83,586 SWITCH157The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6005781888961792} WEIGHT157A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS158the atoms involved in each of the contacts you wish to calculate=83,588 SWITCH158The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452443391084671} WEIGHT158A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS159the atoms involved in each of the contacts you wish to calculate=83,592 SWITCH159The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.626295268535614} WEIGHT159A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS160the atoms involved in each of the contacts you wish to calculate=83,650 SWITCH160The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7567639350891113} WEIGHT160A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS161the atoms involved in each of the contacts you wish to calculate=83,652 SWITCH161The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.660020112991333} WEIGHT161A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS162the atoms involved in each of the contacts you wish to calculate=83,655 SWITCH162The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.658077597618103} WEIGHT162A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS163the atoms involved in each of the contacts you wish to calculate=83,656 SWITCH163The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6139795184135437} WEIGHT163A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS164the atoms involved in each of the contacts you wish to calculate=83,658 SWITCH164The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6478961110115051} WEIGHT164A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS165the atoms involved in each of the contacts you wish to calculate=83,660 SWITCH165The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7335739731788635} WEIGHT165A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS166the atoms involved in each of the contacts you wish to calculate=83,661 SWITCH166The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8154194355010986} WEIGHT166A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS167the atoms involved in each of the contacts you wish to calculate=83,663 SWITCH167The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7802172303199768} WEIGHT167A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS168the atoms involved in each of the contacts you wish to calculate=83,665 SWITCH168The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7394839525222778} WEIGHT168A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS169the atoms involved in each of the contacts you wish to calculate=83,2623 SWITCH169The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6664283871650696} WEIGHT169A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS170the atoms involved in each of the contacts you wish to calculate=83,2625 SWITCH170The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6408188343048096} WEIGHT170A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS171the atoms involved in each of the contacts you wish to calculate=83,2627 SWITCH171The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6807906031608582} WEIGHT171A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS172the atoms involved in each of the contacts you wish to calculate=83,2631 SWITCH172The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7577747702598572} WEIGHT172A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS173the atoms involved in each of the contacts you wish to calculate=83,2670 SWITCH173The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467894673347473} WEIGHT173A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS174the atoms involved in each of the contacts you wish to calculate=83,2672 SWITCH174The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4871581196784973} WEIGHT174A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS175the atoms involved in each of the contacts you wish to calculate=83,2675 SWITCH175The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6119329929351807} WEIGHT175A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS176the atoms involved in each of the contacts you wish to calculate=83,2678 SWITCH176The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7316069602966309} WEIGHT176A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS177the atoms involved in each of the contacts you wish to calculate=83,2679 SWITCH177The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8228038549423218} WEIGHT177A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS178the atoms involved in each of the contacts you wish to calculate=83,2680 SWITCH178The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7492292523384094} WEIGHT178A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS179the atoms involved in each of the contacts you wish to calculate=83,2687 SWITCH179The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43351006507873535} WEIGHT179A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS180the atoms involved in each of the contacts you wish to calculate=83,2689 SWITCH180The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4815652370452881} WEIGHT180A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS181the atoms involved in each of the contacts you wish to calculate=83,2692 SWITCH181The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43436673283576965} WEIGHT181A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS182the atoms involved in each of the contacts you wish to calculate=83,2695 SWITCH182The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467674732208252} WEIGHT182A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS183the atoms involved in each of the contacts you wish to calculate=83,2698 SWITCH183The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619409680366516} WEIGHT183A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS184the atoms involved in each of the contacts you wish to calculate=83,2700 SWITCH184The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5459465384483337} WEIGHT184A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS185the atoms involved in each of the contacts you wish to calculate=83,2701 SWITCH185The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5026307702064514} WEIGHT185A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS186the atoms involved in each of the contacts you wish to calculate=83,2704 SWITCH186The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6183369755744934} WEIGHT186A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS187the atoms involved in each of the contacts you wish to calculate=84,584 SWITCH187The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6359981298446655} WEIGHT187A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS188the atoms involved in each of the contacts you wish to calculate=84,586 SWITCH188The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5245013236999512} WEIGHT188A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS189the atoms involved in each of the contacts you wish to calculate=84,588 SWITCH189The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3791157007217407} WEIGHT189A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS190the atoms involved in each of the contacts you wish to calculate=84,592 SWITCH190The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5582054853439331} WEIGHT190A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS191the atoms involved in each of the contacts you wish to calculate=84,650 SWITCH191The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7489091157913208} WEIGHT191A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS192the atoms involved in each of the contacts you wish to calculate=84,652 SWITCH192The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.634943962097168} WEIGHT192A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS193the atoms involved in each of the contacts you wish to calculate=84,655 SWITCH193The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6382222175598145} WEIGHT193A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS194the atoms involved in each of the contacts you wish to calculate=84,656 SWITCH194The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6211105585098267} WEIGHT194A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS195the atoms involved in each of the contacts you wish to calculate=84,658 SWITCH195The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6585385799407959} WEIGHT195A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS196the atoms involved in each of the contacts you wish to calculate=84,660 SWITCH196The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7242143750190735} WEIGHT196A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS197the atoms involved in each of the contacts you wish to calculate=84,661 SWITCH197The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8102027773857117} WEIGHT197A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS198the atoms involved in each of the contacts you wish to calculate=84,663 SWITCH198The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7491664886474609} WEIGHT198A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS199the atoms involved in each of the contacts you wish to calculate=84,665 SWITCH199The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7025509476661682} WEIGHT199A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS200the atoms involved in each of the contacts you wish to calculate=84,2623 SWITCH200The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7613797187805176} WEIGHT200A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS201the atoms involved in each of the contacts you wish to calculate=84,2625 SWITCH201The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7393909096717834} WEIGHT201A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS202the atoms involved in each of the contacts you wish to calculate=84,2627 SWITCH202The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7952523231506348} WEIGHT202A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS203the atoms involved in each of the contacts you wish to calculate=84,2631 SWITCH203The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8447737097740173} WEIGHT203A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS204the atoms involved in each of the contacts you wish to calculate=84,2670 SWITCH204The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6004908680915833} WEIGHT204A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS205the atoms involved in each of the contacts you wish to calculate=84,2672 SWITCH205The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5712877511978149} WEIGHT205A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS206the atoms involved in each of the contacts you wish to calculate=84,2675 SWITCH206The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7087430953979492} WEIGHT206A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS207the atoms involved in each of the contacts you wish to calculate=84,2678 SWITCH207The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8185679912567139} WEIGHT207A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS208the atoms involved in each of the contacts you wish to calculate=84,2679 SWITCH208The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9021114706993103} WEIGHT208A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS209the atoms involved in each of the contacts you wish to calculate=84,2680 SWITCH209The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8321413993835449} WEIGHT209A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS210the atoms involved in each of the contacts you wish to calculate=84,2687 SWITCH210The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41042545437812805} WEIGHT210A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS211the atoms involved in each of the contacts you wish to calculate=84,2689 SWITCH211The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45511651039123535} WEIGHT211A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS212the atoms involved in each of the contacts you wish to calculate=84,2692 SWITCH212The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38046836853027344} WEIGHT212A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS213the atoms involved in each of the contacts you wish to calculate=84,2695 SWITCH213The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4625239968299866} WEIGHT213A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS214the atoms involved in each of the contacts you wish to calculate=84,2698 SWITCH214The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45681431889533997} WEIGHT214A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS215the atoms involved in each of the contacts you wish to calculate=84,2700 SWITCH215The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42154377698898315} WEIGHT215A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS216the atoms involved in each of the contacts you wish to calculate=84,2701 SWITCH216The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37417587637901306} WEIGHT216A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS217the atoms involved in each of the contacts you wish to calculate=84,2704 SWITCH217The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.490617960691452} WEIGHT217A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS218the atoms involved in each of the contacts you wish to calculate=86,584 SWITCH218The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7240015268325806} WEIGHT218A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS219the atoms involved in each of the contacts you wish to calculate=86,586 SWITCH219The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6307170987129211} WEIGHT219A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS220the atoms involved in each of the contacts you wish to calculate=86,588 SWITCH220The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49542808532714844} WEIGHT220A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS221the atoms involved in each of the contacts you wish to calculate=86,592 SWITCH221The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6283707618713379} WEIGHT221A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS222the atoms involved in each of the contacts you wish to calculate=86,650 SWITCH222The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8365533351898193} WEIGHT222A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS223the atoms involved in each of the contacts you wish to calculate=86,652 SWITCH223The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7566362619400024} WEIGHT223A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS224the atoms involved in each of the contacts you wish to calculate=86,655 SWITCH224The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7693386673927307} WEIGHT224A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS225the atoms involved in each of the contacts you wish to calculate=86,656 SWITCH225The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7203338742256165} WEIGHT225A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS226the atoms involved in each of the contacts you wish to calculate=86,658 SWITCH226The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7620297074317932} WEIGHT226A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS227the atoms involved in each of the contacts you wish to calculate=86,660 SWITCH227The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8583394289016724} WEIGHT227A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS228the atoms involved in each of the contacts you wish to calculate=86,661 SWITCH228The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9409445524215698} WEIGHT228A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS229the atoms involved in each of the contacts you wish to calculate=86,663 SWITCH229The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9087017178535461} WEIGHT229A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS230the atoms involved in each of the contacts you wish to calculate=86,665 SWITCH230The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8619062304496765} WEIGHT230A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS231the atoms involved in each of the contacts you wish to calculate=86,2623 SWITCH231The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7169845700263977} WEIGHT231A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS232the atoms involved in each of the contacts you wish to calculate=86,2625 SWITCH232The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6834959983825684} WEIGHT232A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS233the atoms involved in each of the contacts you wish to calculate=86,2627 SWITCH233The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.692775547504425} WEIGHT233A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS234the atoms involved in each of the contacts you wish to calculate=86,2631 SWITCH234The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8089070916175842} WEIGHT234A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS235the atoms involved in each of the contacts you wish to calculate=86,2670 SWITCH235The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6060764789581299} WEIGHT235A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS236the atoms involved in each of the contacts you wish to calculate=86,2672 SWITCH236The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181207060813904} WEIGHT236A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS237the atoms involved in each of the contacts you wish to calculate=86,2675 SWITCH237The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6273994445800781} WEIGHT237A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS238the atoms involved in each of the contacts you wish to calculate=86,2678 SWITCH238The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7430940270423889} WEIGHT238A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS239the atoms involved in each of the contacts you wish to calculate=86,2679 SWITCH239The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8474751710891724} WEIGHT239A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS240the atoms involved in each of the contacts you wish to calculate=86,2680 SWITCH240The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7452439069747925} WEIGHT240A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS241the atoms involved in each of the contacts you wish to calculate=86,2687 SWITCH241The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610818266868591} WEIGHT241A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS242the atoms involved in each of the contacts you wish to calculate=86,2689 SWITCH242The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.617644727230072} WEIGHT242A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS243the atoms involved in each of the contacts you wish to calculate=86,2692 SWITCH243The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742668509483337} WEIGHT243A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS244the atoms involved in each of the contacts you wish to calculate=86,2695 SWITCH244The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6853440403938293} WEIGHT244A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS245the atoms involved in each of the contacts you wish to calculate=86,2698 SWITCH245The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6910494565963745} WEIGHT245A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS246the atoms involved in each of the contacts you wish to calculate=86,2700 SWITCH246The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6638144850730896} WEIGHT246A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS247the atoms involved in each of the contacts you wish to calculate=86,2701 SWITCH247The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6176127791404724} WEIGHT247A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS248the atoms involved in each of the contacts you wish to calculate=86,2704 SWITCH248The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7214447855949402} WEIGHT248A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS249the atoms involved in each of the contacts you wish to calculate=88,584 SWITCH249The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8257133960723877} WEIGHT249A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS250the atoms involved in each of the contacts you wish to calculate=88,586 SWITCH250The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7469635605812073} WEIGHT250A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS251the atoms involved in each of the contacts you wish to calculate=88,588 SWITCH251The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6138039827346802} WEIGHT251A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS252the atoms involved in each of the contacts you wish to calculate=88,592 SWITCH252The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7426144480705261} WEIGHT252A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS253the atoms involved in each of the contacts you wish to calculate=88,650 SWITCH253The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8834666013717651} WEIGHT253A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS254the atoms involved in each of the contacts you wish to calculate=88,652 SWITCH254The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8192144632339478} WEIGHT254A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS255the atoms involved in each of the contacts you wish to calculate=88,655 SWITCH255The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8241855502128601} WEIGHT255A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS256the atoms involved in each of the contacts you wish to calculate=88,656 SWITCH256The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7545161843299866} WEIGHT256A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS257the atoms involved in each of the contacts you wish to calculate=88,658 SWITCH257The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7885397672653198} WEIGHT257A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS258the atoms involved in each of the contacts you wish to calculate=88,660 SWITCH258The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8964353203773499} WEIGHT258A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS259the atoms involved in each of the contacts you wish to calculate=88,661 SWITCH259The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9711530804634094} WEIGHT259A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS260the atoms involved in each of the contacts you wish to calculate=88,663 SWITCH260The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9638135433197021} WEIGHT260A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS261the atoms involved in each of the contacts you wish to calculate=88,665 SWITCH261The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9252039194107056} WEIGHT261A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS262the atoms involved in each of the contacts you wish to calculate=88,2623 SWITCH262The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6527144312858582} WEIGHT262A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS263the atoms involved in each of the contacts you wish to calculate=88,2625 SWITCH263The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6190008521080017} WEIGHT263A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS264the atoms involved in each of the contacts you wish to calculate=88,2627 SWITCH264The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6037590503692627} WEIGHT264A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS265the atoms involved in each of the contacts you wish to calculate=88,2631 SWITCH265The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7534478902816772} WEIGHT265A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS266the atoms involved in each of the contacts you wish to calculate=88,2670 SWITCH266The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.589590311050415} WEIGHT266A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS267the atoms involved in each of the contacts you wish to calculate=88,2672 SWITCH267The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47330838441848755} WEIGHT267A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS268the atoms involved in each of the contacts you wish to calculate=88,2675 SWITCH268The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550546646118164} WEIGHT268A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS269the atoms involved in each of the contacts you wish to calculate=88,2678 SWITCH269The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6750070452690125} WEIGHT269A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS270the atoms involved in each of the contacts you wish to calculate=88,2679 SWITCH270The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7850998640060425} WEIGHT270A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS271the atoms involved in each of the contacts you wish to calculate=88,2680 SWITCH271The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6800620555877686} WEIGHT271A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS272the atoms involved in each of the contacts you wish to calculate=88,2687 SWITCH272The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6187803149223328} WEIGHT272A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS273the atoms involved in each of the contacts you wish to calculate=88,2689 SWITCH273The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6758143901824951} WEIGHT273A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS274the atoms involved in each of the contacts you wish to calculate=88,2692 SWITCH274The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6547264456748962} WEIGHT274A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS275the atoms involved in each of the contacts you wish to calculate=88,2695 SWITCH275The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7811508774757385} WEIGHT275A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS276the atoms involved in each of the contacts you wish to calculate=88,2698 SWITCH276The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8025594353675842} WEIGHT276A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS277the atoms involved in each of the contacts you wish to calculate=88,2700 SWITCH277The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7883719801902771} WEIGHT277A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS278the atoms involved in each of the contacts you wish to calculate=88,2701 SWITCH278The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7429414987564087} WEIGHT278A weight value for a given contact, by default is 1=0.0035842293906810036
ATOMS279the atoms involved in each of the contacts you wish to calculate=88,2704 SWITCH279The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8522601127624512} WEIGHT279A weight value for a given contact, by default is 1=0.0035842293906810036
LABELa label for the action so that its output can be referenced in the input to other actions=qtyrThe CONTACTMAP action with label qtyr calculates the following quantities:
 Quantity   
 Type   
 Description  
qtyr
scalar
the sum of all the switching function on all the distances
SUM calculate the sum of all the contacts in the input
NOPBC ignore the periodic boundary conditions when calculating distances
... CONTACTMAP

ALPHABETAMeasures a distance including pbc between the instantaneous values of a set of torsional angles and set of reference values. This action is a shortcut. More details ...
ATOMS1the atoms involved for each of the torsions you wish to calculate=16,18,20,23 REFERENCE1the reference values for each of the torsional angles=1.5415784120559692
ATOMS2the atoms involved for each of the torsions you wish to calculate=18,20,23,25 REFERENCE2the reference values for each of the torsional angles=-1.1005675792694092
ATOMS3the atoms involved for each of the torsions you wish to calculate=23,25,27,35 REFERENCE3the reference values for each of the torsional angles=-1.1071521043777466
ATOMS4the atoms involved for each of the torsions you wish to calculate=25,27,35,37 REFERENCE4the reference values for each of the torsional angles=-0.5905115008354187
ATOMS5the atoms involved for each of the torsions you wish to calculate=35,37,39,50 REFERENCE5the reference values for each of the torsional angles=-0.9004539251327515
ATOMS6the atoms involved for each of the torsions you wish to calculate=37,39,50,52 REFERENCE6the reference values for each of the torsional angles=-0.6792753338813782
ATOMS7the atoms involved for each of the torsions you wish to calculate=50,52,54,69 REFERENCE7the reference values for each of the torsional angles=-1.3559045791625977
ATOMS8the atoms involved for each of the torsions you wish to calculate=52,54,69,71 REFERENCE8the reference values for each of the torsional angles=-0.643721342086792
ATOMS9the atoms involved for each of the torsions you wish to calculate=69,71,73,90 REFERENCE9the reference values for each of the torsional angles=-1.0945172309875488
ATOMS10the atoms involved for each of the torsions you wish to calculate=71,73,90,92 REFERENCE10the reference values for each of the torsional angles=-0.8885443210601807
ATOMS11the atoms involved for each of the torsions you wish to calculate=90,92,94,105 REFERENCE11the reference values for each of the torsional angles=-1.2611130475997925
ATOMS12the atoms involved for each of the torsions you wish to calculate=92,94,105,107 REFERENCE12the reference values for each of the torsional angles=-0.6172705888748169
ATOMS13the atoms involved for each of the torsions you wish to calculate=105,107,109,117 REFERENCE13the reference values for each of the torsional angles=-0.96987384557724
ATOMS14the atoms involved for each of the torsions you wish to calculate=107,109,117,119 REFERENCE14the reference values for each of the torsional angles=-0.5412485599517822
ATOMS15the atoms involved for each of the torsions you wish to calculate=117,119,121,136 REFERENCE15the reference values for each of the torsional angles=-1.4444003105163574
ATOMS16the atoms involved for each of the torsions you wish to calculate=119,121,136,138 REFERENCE16the reference values for each of the torsional angles=-0.9746055006980896
LABELa label for the action so that its output can be referenced in the input to other actions=abThe ALPHABETA action with label ab calculates the following quantities:
 Quantity   
 Type   
 Description  
ab
scalar
the alpha beta CV
... ALPHABETA
# PLUMED interprets the command:
# ALPHABETA ...
# ATOMS1=16,18,20,23 REFERENCE1=1.5415784120559692
# ATOMS2=18,20,23,25 REFERENCE2=-1.1005675792694092
# ATOMS3=23,25,27,35 REFERENCE3=-1.1071521043777466
# ATOMS4=25,27,35,37 REFERENCE4=-0.5905115008354187
# ATOMS5=35,37,39,50 REFERENCE5=-0.9004539251327515
# ATOMS6=37,39,50,52 REFERENCE6=-0.6792753338813782
# ATOMS7=50,52,54,69 REFERENCE7=-1.3559045791625977
# ATOMS8=52,54,69,71 REFERENCE8=-0.643721342086792
# ATOMS9=69,71,73,90 REFERENCE9=-1.0945172309875488
# ATOMS10=71,73,90,92 REFERENCE10=-0.8885443210601807
# ATOMS11=90,92,94,105 REFERENCE11=-1.2611130475997925
# ATOMS12=92,94,105,107 REFERENCE12=-0.6172705888748169
# ATOMS13=105,107,109,117 REFERENCE13=-0.96987384557724
# ATOMS14=107,109,117,119 REFERENCE14=-0.5412485599517822
# ATOMS15=117,119,121,136 REFERENCE15=-1.4444003105163574
# ATOMS16=119,121,136,138 REFERENCE16=-0.9746055006980896
# LABEL=ab
# ... ALPHABETA
# as follows (Click the red comment above to revert to the short version of the input):
ab_torsionsThe TORSION action with label ab_torsions calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_torsions
vector
the TORSION for each set of specified atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMS1the four atoms involved in the torsional angle=16,18,20,23 ATOMS2the four atoms involved in the torsional angle=18,20,23,25 ATOMS3the four atoms involved in the torsional angle=23,25,27,35 ATOMS4the four atoms involved in the torsional angle=25,27,35,37 ATOMS5the four atoms involved in the torsional angle=35,37,39,50     # Action input conctinues with 11 further ATOMSn keywords, 
ab_refThe CONSTANT action with label ab_ref calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_ref
vector
the constant value that was read from the plumed input: CONSTANTCreate a constant value that can be passed to actions More details VALUESthe numbers that are in your constant value=1.5415784120559692,-1.1005675792694092,-1.1071521043777466,-0.5905115008354187,-0.9004539251327515,-0.6792753338813782,-1.3559045791625977,-0.643721342086792,-1.0945172309875488,-0.8885443210601807,-1.2611130475997925,-0.6172705888748169,-0.96987384557724,-0.5412485599517822,-1.4444003105163574,-0.9746055006980896
ab_coeffThe CONSTANT action with label ab_coeff calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_coeff
vector
the constant value that was read from the plumed input: CONSTANTCreate a constant value that can be passed to actions More details VALUESthe numbers that are in your constant value=1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1
ab_combThe COMBINE action with label ab_comb calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_comb
vector
the vector obtained by doing an element-wise application of a linear compbination to the input vectors: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=ab_torsions,ab_ref COEFFICIENTS the coefficients of the arguments in your function=1,-1 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
ab_cosThe CUSTOM action with label ab_cos calculates the following quantities:
 Quantity   
 Type   
 Description  
ab_cos
vector
the vector obtained by doing an element-wise application of an arbitrary function to the input vectors: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=ab_comb,ab_coeff FUNCthe function you wish to evaluate=y*(0.5+0.5*cos(x)) PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
abThe SUM action with label ab calculates the following quantities:
 Quantity   
 Type   
 Description  
ab
scalar
the sum of all the elements in the input vector: SUMCalculate the sum of the arguments More details ARGthe values input to this function=ab_cos PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
# --- End of included input --- 
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=q,ab,qtyr FILEthe name of the file on which to output these quantities=CV_shootings