Project ID: plumID:21.017
Source: plumed/md/cry_c36m.dat
Originally used with PLUMED version: 2.5
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
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_c36m.pdb prot : GROUPDefine a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details ATOMSthe numerical indexes for the set of atoms in the group=1-3436 WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=prot CONTACTMAPCalculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details ... ATOMS1the atoms involved in each of the contacts you wish to calculate=5,52 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=0.5610604286193848} WEIGHT1A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS2the atoms involved in each of the contacts you wish to calculate=5,62 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=0.5481842160224915} WEIGHT2A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS3the atoms involved in each of the contacts you wish to calculate=5,2614 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=0.5456867218017578} WEIGHT3A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS4the atoms involved in each of the contacts you wish to calculate=7,52 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=0.5997282862663269} WEIGHT4A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS5the atoms involved in each of the contacts you wish to calculate=7,62 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=0.5182827711105347} WEIGHT5A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS6the atoms involved in each of the contacts you wish to calculate=7,65 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=0.5618842840194702} WEIGHT6A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS7the atoms involved in each of the contacts you wish to calculate=7,2614 SWITCH7The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48425087332725525} WEIGHT7A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS8the atoms involved in each of the contacts you wish to calculate=7,2615 SWITCH8The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5417128205299377} WEIGHT8A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS9the atoms involved in each of the contacts you wish to calculate=10,62 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=0.5702253580093384} WEIGHT9A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS10the atoms involved in each of the contacts you wish to calculate=10,2611 SWITCH10The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5790070295333862} WEIGHT10A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS11the atoms involved in each of the contacts you wish to calculate=10,2614 SWITCH11The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40627458691596985} WEIGHT11A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS12the atoms involved in each of the contacts you wish to calculate=10,2615 SWITCH12The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4314267039299011} WEIGHT12A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS13the atoms involved in each of the contacts you wish to calculate=13,2611 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=0.5995940566062927} WEIGHT13A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS14the atoms involved in each of the contacts you wish to calculate=13,2614 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=0.4261091947555542} WEIGHT14A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS15the atoms involved in each of the contacts you wish to calculate=13,2615 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=0.3946555256843567} WEIGHT15A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS16the atoms involved in each of the contacts you wish to calculate=14,62 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=0.5443353056907654} WEIGHT16A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS17the atoms involved in each of the contacts you wish to calculate=14,65 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=0.536426842212677} WEIGHT17A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS18the atoms involved in each of the contacts you wish to calculate=14,2546 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=0.5706994533538818} WEIGHT18A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS19the atoms involved in each of the contacts you wish to calculate=14,2562 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=0.5421658158302307} WEIGHT19A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS20the atoms involved in each of the contacts you wish to calculate=14,2614 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=0.42671898007392883} WEIGHT20A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS21the atoms involved in each of the contacts you wish to calculate=14,2615 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=0.39910271763801575} WEIGHT21A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS22the atoms involved in each of the contacts you wish to calculate=15,2614 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=0.4941588342189789} WEIGHT22A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS23the atoms involved in each of the contacts you wish to calculate=15,2615 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=0.4235575497150421} WEIGHT23A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS24the atoms involved in each of the contacts you wish to calculate=16,52 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=0.5171670913696289} WEIGHT24A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS25the atoms involved in each of the contacts you wish to calculate=16,56 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=0.5684268474578857} WEIGHT25A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS26the atoms involved in each of the contacts you wish to calculate=16,62 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=0.49320268630981445} WEIGHT26A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS27the atoms involved in each of the contacts you wish to calculate=16,65 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=0.5956858992576599} WEIGHT27A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS28the atoms involved in each of the contacts you wish to calculate=16,2614 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=0.46076998114585876} WEIGHT28A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS29the atoms involved in each of the contacts you wish to calculate=16,2615 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=0.5792917609214783} WEIGHT29A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS30the atoms involved in each of the contacts you wish to calculate=16,2678 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=0.5951782464981079} WEIGHT30A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS31the atoms involved in each of the contacts you wish to calculate=16,2679 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=0.5030578374862671} WEIGHT31A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS32the atoms involved in each of the contacts you wish to calculate=17,62 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=0.5814033150672913} WEIGHT32A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS33the atoms involved in each of the contacts you wish to calculate=17,2611 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=0.5894521474838257} WEIGHT33A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS34the atoms involved in each of the contacts you wish to calculate=17,2614 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=0.4694271385669708} WEIGHT34A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS35the atoms involved in each of the contacts you wish to calculate=17,2615 SWITCH35The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5813930034637451} WEIGHT35A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS36the atoms involved in each of the contacts you wish to calculate=17,2675 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=0.5904388427734375} WEIGHT36A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS37the atoms involved in each of the contacts you wish to calculate=17,2678 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=0.5472659468650818} WEIGHT37A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS38the atoms involved in each of the contacts you wish to calculate=17,2679 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=0.4415496587753296} WEIGHT38A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS39the atoms involved in each of the contacts you wish to calculate=18,71 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=0.5508483052253723} WEIGHT39A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS40the atoms involved in each of the contacts you wish to calculate=18,2608 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=0.5420581102371216} WEIGHT40A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS41the atoms involved in each of the contacts you wish to calculate=18,2611 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=0.5533843040466309} WEIGHT41A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS42the atoms involved in each of the contacts you wish to calculate=18,2614 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=0.42547157406806946} WEIGHT42A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS43the atoms involved in each of the contacts you wish to calculate=18,2615 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=0.5710954666137695} WEIGHT43A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS44the atoms involved in each of the contacts you wish to calculate=18,2675 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=0.5590439438819885} WEIGHT44A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS45the atoms involved in each of the contacts you wish to calculate=18,2678 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=0.5582616925239563} WEIGHT45A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS46the atoms involved in each of the contacts you wish to calculate=18,2679 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=0.48837918043136597} WEIGHT46A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS47the atoms involved in each of the contacts you wish to calculate=20,71 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=0.4890744686126709} WEIGHT47A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS48the atoms involved in each of the contacts you wish to calculate=20,73 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=0.5911750793457031} WEIGHT48A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS49the atoms involved in each of the contacts you wish to calculate=20,75 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=0.5654979348182678} WEIGHT49A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS50the atoms involved in each of the contacts you wish to calculate=20,2606 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=0.5720219016075134} WEIGHT50A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS51the atoms involved in each of the contacts you wish to calculate=20,2608 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=0.44389525055885315} WEIGHT51A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS52the atoms involved in each of the contacts you wish to calculate=20,2611 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=0.48659440875053406} WEIGHT52A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS53the atoms involved in each of the contacts you wish to calculate=20,2614 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=0.401021271944046} WEIGHT53A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS54the atoms involved in each of the contacts you wish to calculate=20,2615 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=0.5696542859077454} WEIGHT54A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS55the atoms involved in each of the contacts you wish to calculate=20,2619 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=0.5692669749259949} WEIGHT55A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS56the atoms involved in each of the contacts you wish to calculate=20,2620 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=0.5451880097389221} WEIGHT56A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS57the atoms involved in each of the contacts you wish to calculate=20,2672 SWITCH57The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5684055089950562} WEIGHT57A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS58the atoms involved in each of the contacts you wish to calculate=20,2675 SWITCH58The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4271697700023651} WEIGHT58A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS59the atoms involved in each of the contacts you wish to calculate=20,2678 SWITCH59The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44676169753074646} WEIGHT59A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS60the atoms involved in each of the contacts you wish to calculate=20,2679 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=0.3918955624103546} WEIGHT60A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS61the atoms involved in each of the contacts you wish to calculate=20,2680 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=0.5688945651054382} WEIGHT61A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS62the atoms involved in each of the contacts you wish to calculate=23,71 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=0.39653247594833374} WEIGHT62A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS63the atoms involved in each of the contacts you wish to calculate=23,73 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=0.4847557842731476} WEIGHT63A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS64the atoms involved in each of the contacts you wish to calculate=23,75 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=0.44378378987312317} WEIGHT64A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS65the atoms involved in each of the contacts you wish to calculate=23,78 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=0.5802386999130249} WEIGHT65A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS66the atoms involved in each of the contacts you wish to calculate=23,90 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=0.5899050235748291} WEIGHT66A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS67the atoms involved in each of the contacts you wish to calculate=23,92 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=0.5753910541534424} WEIGHT67A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS68the atoms involved in each of the contacts you wish to calculate=23,2608 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=0.5386306047439575} WEIGHT68A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS69the atoms involved in each of the contacts you wish to calculate=23,2614 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=0.5421199202537537} WEIGHT69A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS70the atoms involved in each of the contacts you wish to calculate=23,2620 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=0.5734334588050842} WEIGHT70A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS71the atoms involved in each of the contacts you wish to calculate=23,2672 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=0.48766884207725525} WEIGHT71A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS72the atoms involved in each of the contacts you wish to calculate=23,2675 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=0.36144986748695374} WEIGHT72A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS73the atoms involved in each of the contacts you wish to calculate=23,2678 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=0.3718279302120209} WEIGHT73A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS74the atoms involved in each of the contacts you wish to calculate=23,2679 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=0.34128299355506897} WEIGHT74A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS75the atoms involved in each of the contacts you wish to calculate=23,2680 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=0.47510942816734314} WEIGHT75A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS76the atoms involved in each of the contacts you wish to calculate=24,71 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=0.2877117693424225} WEIGHT76A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS77the atoms involved in each of the contacts you wish to calculate=24,73 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=0.36704790592193604} WEIGHT77A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS78the atoms involved in each of the contacts you wish to calculate=24,75 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=0.33189159631729126} WEIGHT78A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS79the atoms involved in each of the contacts you wish to calculate=24,78 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=0.47225090861320496} WEIGHT79A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS80the atoms involved in each of the contacts you wish to calculate=24,79 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=0.5406902432441711} WEIGHT80A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS81the atoms involved in each of the contacts you wish to calculate=24,86 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=0.562769889831543} WEIGHT81A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS82the atoms involved in each of the contacts you wish to calculate=24,90 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=0.481701135635376} WEIGHT82A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS83the atoms involved in each of the contacts you wish to calculate=24,91 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=0.5948319435119629} WEIGHT83A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS84the atoms involved in each of the contacts you wish to calculate=24,92 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=0.4847874641418457} WEIGHT84A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS85the atoms involved in each of the contacts you wish to calculate=24,2608 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=0.5351438522338867} WEIGHT85A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS86the atoms involved in each of the contacts you wish to calculate=24,2614 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=0.5863667726516724} WEIGHT86A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS87the atoms involved in each of the contacts you wish to calculate=24,2619 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=0.5716545581817627} WEIGHT87A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS88the atoms involved in each of the contacts you wish to calculate=24,2620 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=0.5403016209602356} WEIGHT88A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS89the atoms involved in each of the contacts you wish to calculate=24,2621 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=0.5933851599693298} WEIGHT89A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS90the atoms involved in each of the contacts you wish to calculate=24,2623 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=0.5734788179397583} WEIGHT90A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS91the atoms involved in each of the contacts you wish to calculate=24,2627 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=0.5404683947563171} WEIGHT91A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS92the atoms involved in each of the contacts you wish to calculate=24,2670 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=0.5716544985771179} WEIGHT92A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS93the atoms involved in each of the contacts you wish to calculate=24,2672 SWITCH93The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4304285943508148} WEIGHT93A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS94the atoms involved in each of the contacts you wish to calculate=24,2675 SWITCH94The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3302513062953949} WEIGHT94A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS95the atoms involved in each of the contacts you wish to calculate=24,2678 SWITCH95The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3791040778160095} WEIGHT95A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS96the atoms involved in each of the contacts you wish to calculate=24,2679 SWITCH96The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38755902647972107} WEIGHT96A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS97the atoms involved in each of the contacts you wish to calculate=24,2680 SWITCH97The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4711739122867584} WEIGHT97A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS98the atoms involved in each of the contacts you wish to calculate=25,92 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=0.593320369720459} WEIGHT98A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS99the atoms involved in each of the contacts you wish to calculate=25,2672 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=0.5299820303916931} WEIGHT99A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS100the atoms involved in each of the contacts you wish to calculate=25,2675 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=0.40893274545669556} WEIGHT100A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS101the atoms involved in each of the contacts you wish to calculate=25,2678 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=0.3681331276893616} WEIGHT101A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS102the atoms involved in each of the contacts you wish to calculate=25,2679 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=0.32019057869911194} WEIGHT102A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS103the atoms involved in each of the contacts you wish to calculate=25,2680 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=0.44893988966941833} WEIGHT103A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS104the atoms involved in each of the contacts you wish to calculate=27,92 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=0.510956883430481} WEIGHT104A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS105the atoms involved in each of the contacts you wish to calculate=27,96 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=0.584258496761322} WEIGHT105A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS106the atoms involved in each of the contacts you wish to calculate=27,99 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=0.49235567450523376} WEIGHT106A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS107the atoms involved in each of the contacts you wish to calculate=27,102 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=0.5754112601280212} WEIGHT107A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS108the atoms involved in each of the contacts you wish to calculate=27,2672 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=0.5144948363304138} WEIGHT108A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS109the atoms involved in each of the contacts you wish to calculate=27,2675 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=0.42616894841194153} WEIGHT109A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS110the atoms involved in each of the contacts you wish to calculate=27,2678 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=0.37256675958633423} WEIGHT110A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS111the atoms involved in each of the contacts you wish to calculate=27,2679 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=0.3573150038719177} WEIGHT111A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS112the atoms involved in each of the contacts you wish to calculate=27,2680 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=0.41182634234428406} WEIGHT112A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS113the atoms involved in each of the contacts you wish to calculate=27,2757 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=0.5834671854972839} WEIGHT113A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS114the atoms involved in each of the contacts you wish to calculate=27,2760 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=0.5841530561447144} WEIGHT114A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS115the atoms involved in each of the contacts you wish to calculate=29,99 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=0.514694094657898} WEIGHT115A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS116the atoms involved in each of the contacts you wish to calculate=29,102 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=0.5818952322006226} WEIGHT116A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS117the atoms involved in each of the contacts you wish to calculate=29,2675 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=0.5233622789382935} WEIGHT117A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS118the atoms involved in each of the contacts you wish to calculate=29,2678 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=0.42942535877227783} WEIGHT118A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS119the atoms involved in each of the contacts you wish to calculate=29,2679 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=0.39814838767051697} WEIGHT119A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS120the atoms involved in each of the contacts you wish to calculate=29,2680 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=0.4375673234462738} WEIGHT120A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS121the atoms involved in each of the contacts you wish to calculate=29,2757 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=0.5820671916007996} WEIGHT121A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS122the atoms involved in each of the contacts you wish to calculate=29,2760 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=0.5739086270332336} WEIGHT122A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS123the atoms involved in each of the contacts you wish to calculate=32,92 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=0.590475857257843} WEIGHT123A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS124the atoms involved in each of the contacts you wish to calculate=32,96 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=0.5980925559997559} WEIGHT124A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS125the atoms involved in each of the contacts you wish to calculate=32,99 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=0.4611669182777405} WEIGHT125A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS126the atoms involved in each of the contacts you wish to calculate=32,102 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=0.490816593170166} WEIGHT126A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS127the atoms involved in each of the contacts you wish to calculate=32,103 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=0.5402840971946716} WEIGHT127A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS128the atoms involved in each of the contacts you wish to calculate=32,104 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=0.5118651390075684} WEIGHT128A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS129the atoms involved in each of the contacts you wish to calculate=32,2672 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=0.59260094165802} WEIGHT129A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS130the atoms involved in each of the contacts you wish to calculate=32,2675 SWITCH130The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5480044484138489} WEIGHT130A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS131the atoms involved in each of the contacts you wish to calculate=32,2678 SWITCH131The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45117735862731934} WEIGHT131A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS132the atoms involved in each of the contacts you wish to calculate=32,2679 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=0.4540870189666748} WEIGHT132A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS133the atoms involved in each of the contacts you wish to calculate=32,2680 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=0.4137559235095978} WEIGHT133A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS134the atoms involved in each of the contacts you wish to calculate=32,2757 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=0.4610433578491211} WEIGHT134A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS135the atoms involved in each of the contacts you wish to calculate=32,2760 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=0.4710689187049866} WEIGHT135A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS136the atoms involved in each of the contacts you wish to calculate=33,92 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=0.48619014024734497} WEIGHT136A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS137the atoms involved in each of the contacts you wish to calculate=33,94 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=0.5412965416908264} WEIGHT137A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS138the atoms involved in each of the contacts you wish to calculate=33,96 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=0.5099625587463379} WEIGHT138A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS139the atoms involved in each of the contacts you wish to calculate=33,99 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=0.37818774580955505} WEIGHT139A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS140the atoms involved in each of the contacts you wish to calculate=33,102 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=0.39580798149108887} WEIGHT140A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS141the atoms involved in each of the contacts you wish to calculate=33,103 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=0.4280443787574768} WEIGHT141A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS142the atoms involved in each of the contacts you wish to calculate=33,104 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=0.436663419008255} WEIGHT142A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS143the atoms involved in each of the contacts you wish to calculate=33,2672 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=0.5442655682563782} WEIGHT143A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS144the atoms involved in each of the contacts you wish to calculate=33,2675 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=0.5237347483634949} WEIGHT144A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS145the atoms involved in each of the contacts you wish to calculate=33,2678 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=0.45534396171569824} WEIGHT145A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS146the atoms involved in each of the contacts you wish to calculate=33,2679 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=0.4873952567577362} WEIGHT146A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS147the atoms involved in each of the contacts you wish to calculate=33,2680 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=0.41103172302246094} WEIGHT147A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS148the atoms involved in each of the contacts you wish to calculate=33,2754 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=0.5307222604751587} WEIGHT148A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS149the atoms involved in each of the contacts you wish to calculate=33,2757 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=0.39317935705184937} WEIGHT149A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS150the atoms involved in each of the contacts you wish to calculate=33,2760 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=0.4363679587841034} WEIGHT150A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS151the atoms involved in each of the contacts you wish to calculate=34,99 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=0.5410417914390564} WEIGHT151A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS152the atoms involved in each of the contacts you wish to calculate=34,102 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=0.5479307770729065} WEIGHT152A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS153the atoms involved in each of the contacts you wish to calculate=34,104 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=0.5418220162391663} WEIGHT153A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS154the atoms involved in each of the contacts you wish to calculate=34,2678 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=0.5124003291130066} WEIGHT154A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS155the atoms involved in each of the contacts you wish to calculate=34,2679 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=0.5096724629402161} WEIGHT155A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS156the atoms involved in each of the contacts you wish to calculate=34,2680 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=0.4535317122936249} WEIGHT156A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS157the atoms involved in each of the contacts you wish to calculate=34,2757 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=0.47039350867271423} WEIGHT157A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS158the atoms involved in each of the contacts you wish to calculate=34,2760 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=0.46715834736824036} WEIGHT158A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS159the atoms involved in each of the contacts you wish to calculate=35,92 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=0.4022260308265686} WEIGHT159A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS160the atoms involved in each of the contacts you wish to calculate=35,94 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=0.4914253354072571} WEIGHT160A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS161the atoms involved in each of the contacts you wish to calculate=35,96 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=0.4575159251689911} WEIGHT161A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS162the atoms involved in each of the contacts you wish to calculate=35,99 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=0.38637933135032654} WEIGHT162A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS163the atoms involved in each of the contacts you wish to calculate=35,102 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=0.4969920217990875} WEIGHT163A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS164the atoms involved in each of the contacts you wish to calculate=35,103 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=0.5403600931167603} WEIGHT164A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS165the atoms involved in each of the contacts you wish to calculate=35,104 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=0.5723757147789001} WEIGHT165A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS166the atoms involved in each of the contacts you wish to calculate=35,105 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=0.5979505181312561} WEIGHT166A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS167the atoms involved in each of the contacts you wish to calculate=35,107 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=0.5827502012252808} WEIGHT167A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS168the atoms involved in each of the contacts you wish to calculate=35,2672 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=0.5985766053199768} WEIGHT168A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS169the atoms involved in each of the contacts you wish to calculate=35,2675 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=0.5248190760612488} WEIGHT169A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS170the atoms involved in each of the contacts you wish to calculate=35,2678 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=0.5012356638908386} WEIGHT170A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS171the atoms involved in each of the contacts you wish to calculate=35,2679 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=0.4978325366973877} WEIGHT171A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS172the atoms involved in each of the contacts you wish to calculate=35,2680 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=0.5375557541847229} WEIGHT172A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS173the atoms involved in each of the contacts you wish to calculate=36,92 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=0.2943228483200073} WEIGHT173A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS174the atoms involved in each of the contacts you wish to calculate=36,94 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=0.3750133216381073} WEIGHT174A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS175the atoms involved in each of the contacts you wish to calculate=36,96 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=0.34881076216697693} WEIGHT175A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS176the atoms involved in each of the contacts you wish to calculate=36,99 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=0.2804799973964691} WEIGHT176A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS177the atoms involved in each of the contacts you wish to calculate=36,102 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=0.3877641260623932} WEIGHT177A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS178the atoms involved in each of the contacts you wish to calculate=36,103 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=0.4228392243385315} WEIGHT178A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS179the atoms involved in each of the contacts you wish to calculate=36,104 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=0.4766486585140228} WEIGHT179A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS180the atoms involved in each of the contacts you wish to calculate=36,105 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=0.4921880066394806} WEIGHT180A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS181the atoms involved in each of the contacts you wish to calculate=36,107 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=0.4955866038799286} WEIGHT181A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS182the atoms involved in each of the contacts you wish to calculate=36,2675 SWITCH182The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5572888851165771} WEIGHT182A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS183the atoms involved in each of the contacts you wish to calculate=36,2678 SWITCH183The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5471096634864807} WEIGHT183A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS184the atoms involved in each of the contacts you wish to calculate=36,2679 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=0.568331778049469} WEIGHT184A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS185the atoms involved in each of the contacts you wish to calculate=36,2680 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=0.5628942251205444} WEIGHT185A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS186the atoms involved in each of the contacts you wish to calculate=36,2757 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=0.5997772216796875} WEIGHT186A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS187the atoms involved in each of the contacts you wish to calculate=37,107 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=0.5903169512748718} WEIGHT187A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS188the atoms involved in each of the contacts you wish to calculate=37,2678 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=0.5944754481315613} WEIGHT188A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS189the atoms involved in each of the contacts you wish to calculate=37,2679 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=0.5704463720321655} WEIGHT189A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS190the atoms involved in each of the contacts you wish to calculate=39,107 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=0.5027105808258057} WEIGHT190A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS191the atoms involved in each of the contacts you wish to calculate=39,109 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=0.5935462713241577} WEIGHT191A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS192the atoms involved in each of the contacts you wish to calculate=39,111 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=0.5568773746490479} WEIGHT192A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS193the atoms involved in each of the contacts you wish to calculate=50,107 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=0.4006657898426056} WEIGHT193A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS194the atoms involved in each of the contacts you wish to calculate=50,109 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=0.4821600615978241} WEIGHT194A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS195the atoms involved in each of the contacts you wish to calculate=50,111 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=0.4323927164077759} WEIGHT195A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS196the atoms involved in each of the contacts you wish to calculate=50,114 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=0.5512949228286743} WEIGHT196A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS197the atoms involved in each of the contacts you wish to calculate=50,116 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=0.5583664774894714} WEIGHT197A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS198the atoms involved in each of the contacts you wish to calculate=50,117 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=0.5980715155601501} WEIGHT198A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS199the atoms involved in each of the contacts you wish to calculate=50,119 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=0.5966382622718811} WEIGHT199A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS200the atoms involved in each of the contacts you wish to calculate=51,107 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=0.2862236797809601} WEIGHT200A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS201the atoms involved in each of the contacts you wish to calculate=51,109 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=0.3626832962036133} WEIGHT201A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS202the atoms involved in each of the contacts you wish to calculate=51,111 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=0.32580095529556274} WEIGHT202A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS203the atoms involved in each of the contacts you wish to calculate=51,114 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=0.4501654803752899} WEIGHT203A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS204the atoms involved in each of the contacts you wish to calculate=51,115 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=0.5505958199501038} WEIGHT204A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS205the atoms involved in each of the contacts you wish to calculate=51,116 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=0.4751568138599396} WEIGHT205A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS206the atoms involved in each of the contacts you wish to calculate=51,117 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=0.48598387837409973} WEIGHT206A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS207the atoms involved in each of the contacts you wish to calculate=51,118 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=0.5959718823432922} WEIGHT207A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS208the atoms involved in each of the contacts you wish to calculate=51,119 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=0.5002760291099548} WEIGHT208A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS209the atoms involved in each of the contacts you wish to calculate=54,119 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=0.527902364730835} WEIGHT209A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS210the atoms involved in each of the contacts you wish to calculate=54,2489 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=0.553002655506134} WEIGHT210A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS211the atoms involved in each of the contacts you wish to calculate=54,2491 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=0.5405457019805908} WEIGHT211A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS212the atoms involved in each of the contacts you wish to calculate=54,2493 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=0.4647645950317383} WEIGHT212A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS213the atoms involved in each of the contacts you wish to calculate=54,2565 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=0.5805972218513489} WEIGHT213A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS214the atoms involved in each of the contacts you wish to calculate=54,2627 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=0.537663459777832} WEIGHT214A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS215the atoms involved in each of the contacts you wish to calculate=56,2489 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=0.5900083184242249} WEIGHT215A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS216the atoms involved in each of the contacts you wish to calculate=56,2491 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=0.5195974111557007} WEIGHT216A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS217the atoms involved in each of the contacts you wish to calculate=56,2493 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=0.47877347469329834} WEIGHT217A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS218the atoms involved in each of the contacts you wish to calculate=56,2556 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=0.5279479622840881} WEIGHT218A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS219the atoms involved in each of the contacts you wish to calculate=56,2558 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=0.5092247724533081} WEIGHT219A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS220the atoms involved in each of the contacts you wish to calculate=56,2561 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=0.561905562877655} WEIGHT220A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS221the atoms involved in each of the contacts you wish to calculate=56,2562 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=0.5512357354164124} WEIGHT221A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS222the atoms involved in each of the contacts you wish to calculate=56,2564 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=0.5136593580245972} WEIGHT222A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS223the atoms involved in each of the contacts you wish to calculate=56,2565 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=0.43993300199508667} WEIGHT223A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS224the atoms involved in each of the contacts you wish to calculate=56,2608 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=0.5183058381080627} WEIGHT224A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS225the atoms involved in each of the contacts you wish to calculate=56,2611 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=0.5881958603858948} WEIGHT225A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS226the atoms involved in each of the contacts you wish to calculate=56,2614 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=0.5355895161628723} WEIGHT226A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS227the atoms involved in each of the contacts you wish to calculate=56,2621 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=0.5849206447601318} WEIGHT227A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS228the atoms involved in each of the contacts you wish to calculate=56,2625 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=0.5958532691001892} WEIGHT228A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS229the atoms involved in each of the contacts you wish to calculate=56,2627 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=0.458141952753067} WEIGHT229A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS230the atoms involved in each of the contacts you wish to calculate=58,119 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=0.5716099739074707} WEIGHT230A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS231the atoms involved in each of the contacts you wish to calculate=58,123 SWITCH231The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5633655190467834} WEIGHT231A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS232the atoms involved in each of the contacts you wish to calculate=58,2481 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=0.5999452471733093} WEIGHT232A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS233the atoms involved in each of the contacts you wish to calculate=58,2484 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=0.5256874561309814} WEIGHT233A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS234the atoms involved in each of the contacts you wish to calculate=58,2487 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=0.5972052812576294} WEIGHT234A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS235the atoms involved in each of the contacts you wish to calculate=58,2489 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=0.48624786734580994} WEIGHT235A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS236the atoms involved in each of the contacts you wish to calculate=58,2491 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=0.3958696126937866} WEIGHT236A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS237the atoms involved in each of the contacts you wish to calculate=58,2493 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=0.3695770502090454} WEIGHT237A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS238the atoms involved in each of the contacts you wish to calculate=58,2556 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=0.45701441168785095} WEIGHT238A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS239the atoms involved in each of the contacts you wish to calculate=58,2558 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=0.424185186624527} WEIGHT239A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS240the atoms involved in each of the contacts you wish to calculate=58,2561 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=0.5086857080459595} WEIGHT240A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS241the atoms involved in each of the contacts you wish to calculate=58,2562 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=0.5307863354682922} WEIGHT241A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS242the atoms involved in each of the contacts you wish to calculate=58,2563 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=0.5881573557853699} WEIGHT242A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS243the atoms involved in each of the contacts you wish to calculate=58,2564 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=0.42004892230033875} WEIGHT243A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS244the atoms involved in each of the contacts you wish to calculate=58,2565 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=0.35836589336395264} WEIGHT244A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS245the atoms involved in each of the contacts you wish to calculate=58,2566 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=0.5086581110954285} WEIGHT245A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS246the atoms involved in each of the contacts you wish to calculate=58,2568 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=0.548278272151947} WEIGHT246A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS247the atoms involved in each of the contacts you wish to calculate=58,2579 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=0.5944342613220215} WEIGHT247A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS248the atoms involved in each of the contacts you wish to calculate=58,2608 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=0.5315127372741699} WEIGHT248A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS249the atoms involved in each of the contacts you wish to calculate=58,2614 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=0.5951092839241028} WEIGHT249A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS250the atoms involved in each of the contacts you wish to calculate=58,2619 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=0.590059220790863} WEIGHT250A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS251the atoms involved in each of the contacts you wish to calculate=58,2621 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=0.5361744165420532} WEIGHT251A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS252the atoms involved in each of the contacts you wish to calculate=58,2623 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=0.5519157648086548} WEIGHT252A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS253the atoms involved in each of the contacts you wish to calculate=58,2625 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=0.5165712833404541} WEIGHT253A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS254the atoms involved in each of the contacts you wish to calculate=58,2627 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=0.3691733479499817} WEIGHT254A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS255the atoms involved in each of the contacts you wish to calculate=58,2631 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=0.5959714651107788} WEIGHT255A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS256the atoms involved in each of the contacts you wish to calculate=62,2491 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=0.5655525326728821} WEIGHT256A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS257the atoms involved in each of the contacts you wish to calculate=62,2493 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=0.5495582818984985} WEIGHT257A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS258the atoms involved in each of the contacts you wish to calculate=62,2556 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=0.4751369059085846} WEIGHT258A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS259the atoms involved in each of the contacts you wish to calculate=62,2558 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=0.4657337963581085} WEIGHT259A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS260the atoms involved in each of the contacts you wish to calculate=62,2561 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=0.4843510687351227} WEIGHT260A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS261the atoms involved in each of the contacts you wish to calculate=62,2562 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=0.4442937672138214} WEIGHT261A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS262the atoms involved in each of the contacts you wish to calculate=62,2563 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=0.5780813097953796} WEIGHT262A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS263the atoms involved in each of the contacts you wish to calculate=62,2564 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=0.5005496740341187} WEIGHT263A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS264the atoms involved in each of the contacts you wish to calculate=62,2565 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=0.44313547015190125} WEIGHT264A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS265the atoms involved in each of the contacts you wish to calculate=62,2608 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=0.4947896897792816} WEIGHT265A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS266the atoms involved in each of the contacts you wish to calculate=62,2611 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=0.5249516367912292} WEIGHT266A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS267the atoms involved in each of the contacts you wish to calculate=62,2614 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=0.4355570673942566} WEIGHT267A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS268the atoms involved in each of the contacts you wish to calculate=62,2615 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=0.574617862701416} WEIGHT268A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS269the atoms involved in each of the contacts you wish to calculate=62,2627 SWITCH269The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5743849873542786} WEIGHT269A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS270the atoms involved in each of the contacts you wish to calculate=65,2491 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=0.49618029594421387} WEIGHT270A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS271the atoms involved in each of the contacts you wish to calculate=65,2493 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=0.4935963451862335} WEIGHT271A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS272the atoms involved in each of the contacts you wish to calculate=65,2554 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=0.5729231238365173} WEIGHT272A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS273the atoms involved in each of the contacts you wish to calculate=65,2556 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=0.4475287199020386} WEIGHT273A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS274the atoms involved in each of the contacts you wish to calculate=65,2558 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=0.39825743436813354} WEIGHT274A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS275the atoms involved in each of the contacts you wish to calculate=65,2561 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=0.3807951509952545} WEIGHT275A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS276the atoms involved in each of the contacts you wish to calculate=65,2562 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=0.346707284450531} WEIGHT276A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS277the atoms involved in each of the contacts you wish to calculate=65,2563 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=0.45603838562965393} WEIGHT277A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS278the atoms involved in each of the contacts you wish to calculate=65,2564 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=0.5080836415290833} WEIGHT278A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS279the atoms involved in each of the contacts you wish to calculate=65,2565 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=0.48635584115982056} WEIGHT279A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS280the atoms involved in each of the contacts you wish to calculate=65,2614 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=0.513218104839325} WEIGHT280A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS281the atoms involved in each of the contacts you wish to calculate=69,119 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=0.4192432761192322} WEIGHT281A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS282the atoms involved in each of the contacts you wish to calculate=69,121 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=0.5216367244720459} WEIGHT282A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS283the atoms involved in each of the contacts you wish to calculate=69,123 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=0.5017626285552979} WEIGHT283A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS284the atoms involved in each of the contacts you wish to calculate=69,2489 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=0.5235073566436768} WEIGHT284A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS285the atoms involved in each of the contacts you wish to calculate=69,2491 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=0.5529934167861938} WEIGHT285A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS286the atoms involved in each of the contacts you wish to calculate=69,2493 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=0.45906662940979004} WEIGHT286A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS287the atoms involved in each of the contacts you wish to calculate=69,2627 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=0.46680837869644165} WEIGHT287A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS288the atoms involved in each of the contacts you wish to calculate=70,119 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=0.30375340580940247} WEIGHT288A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS289the atoms involved in each of the contacts you wish to calculate=70,121 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=0.402688592672348} WEIGHT289A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS290the atoms involved in each of the contacts you wish to calculate=70,123 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=0.39134252071380615} WEIGHT290A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS291the atoms involved in each of the contacts you wish to calculate=70,126 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=0.5372466444969177} WEIGHT291A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS292the atoms involved in each of the contacts you wish to calculate=70,128 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=0.5952891707420349} WEIGHT292A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS293the atoms involved in each of the contacts you wish to calculate=70,132 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=0.5877977013587952} WEIGHT293A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS294the atoms involved in each of the contacts you wish to calculate=70,136 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=0.5143227577209473} WEIGHT294A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS295the atoms involved in each of the contacts you wish to calculate=70,138 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=0.5109609365463257} WEIGHT295A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS296the atoms involved in each of the contacts you wish to calculate=70,2487 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=0.5545793771743774} WEIGHT296A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS297the atoms involved in each of the contacts you wish to calculate=70,2489 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=0.4219445288181305} WEIGHT297A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS298the atoms involved in each of the contacts you wish to calculate=70,2491 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=0.49128490686416626} WEIGHT298A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS299the atoms involved in each of the contacts you wish to calculate=70,2493 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=0.3805406987667084} WEIGHT299A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS300the atoms involved in each of the contacts you wish to calculate=70,2627 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=0.4766139090061188} WEIGHT300A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS301the atoms involved in each of the contacts you wish to calculate=71,2493 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=0.5805965662002563} WEIGHT301A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS302the atoms involved in each of the contacts you wish to calculate=71,2623 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=0.5917905569076538} WEIGHT302A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS303the atoms involved in each of the contacts you wish to calculate=71,2625 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=0.5675287842750549} WEIGHT303A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS304the atoms involved in each of the contacts you wish to calculate=71,2627 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=0.44709062576293945} WEIGHT304A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS305the atoms involved in each of the contacts you wish to calculate=71,2672 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=0.5566729307174683} WEIGHT305A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS306the atoms involved in each of the contacts you wish to calculate=71,2675 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=0.5266213417053223} WEIGHT306A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS307the atoms involved in each of the contacts you wish to calculate=73,138 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=0.5262144207954407} WEIGHT307A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS308the atoms involved in each of the contacts you wish to calculate=73,142 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=0.5642985105514526} WEIGHT308A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS309the atoms involved in each of the contacts you wish to calculate=73,145 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=0.5166874527931213} WEIGHT309A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS310the atoms involved in each of the contacts you wish to calculate=73,2623 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=0.5695807337760925} WEIGHT310A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS311the atoms involved in each of the contacts you wish to calculate=73,2625 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=0.5300518870353699} WEIGHT311A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS312the atoms involved in each of the contacts you wish to calculate=73,2627 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=0.4312378168106079} WEIGHT312A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS313the atoms involved in each of the contacts you wish to calculate=73,2672 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=0.5113325119018555} WEIGHT313A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS314the atoms involved in each of the contacts you wish to calculate=73,2675 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=0.5218219757080078} WEIGHT314A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS315the atoms involved in each of the contacts you wish to calculate=75,145 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=0.5461666584014893} WEIGHT315A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS316the atoms involved in each of the contacts you wish to calculate=75,2623 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=0.5463424921035767} WEIGHT316A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS317the atoms involved in each of the contacts you wish to calculate=75,2625 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=0.5381700396537781} WEIGHT317A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS318the atoms involved in each of the contacts you wish to calculate=75,2627 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=0.4755480885505676} WEIGHT318A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS319the atoms involved in each of the contacts you wish to calculate=75,2636 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=0.5511779189109802} WEIGHT319A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS320the atoms involved in each of the contacts you wish to calculate=75,2670 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=0.5225564241409302} WEIGHT320A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS321the atoms involved in each of the contacts you wish to calculate=75,2672 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=0.37662312388420105} WEIGHT321A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS322the atoms involved in each of the contacts you wish to calculate=75,2675 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=0.4034428596496582} WEIGHT322A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS323the atoms involved in each of the contacts you wish to calculate=75,2678 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=0.48040005564689636} WEIGHT323A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS324the atoms involved in each of the contacts you wish to calculate=75,2679 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=0.5620198249816895} WEIGHT324A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS325the atoms involved in each of the contacts you wish to calculate=75,2680 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=0.49693572521209717} WEIGHT325A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS326the atoms involved in each of the contacts you wish to calculate=75,2683 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=0.550622284412384} WEIGHT326A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS327the atoms involved in each of the contacts you wish to calculate=75,2684 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=0.5932227373123169} WEIGHT327A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS328the atoms involved in each of the contacts you wish to calculate=75,2685 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=0.5753479599952698} WEIGHT328A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS329the atoms involved in each of the contacts you wish to calculate=75,2757 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=0.5216971635818481} WEIGHT329A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS330the atoms involved in each of the contacts you wish to calculate=75,2760 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=0.579897403717041} WEIGHT330A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS331the atoms involved in each of the contacts you wish to calculate=78,138 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=0.5930233597755432} WEIGHT331A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS332the atoms involved in each of the contacts you wish to calculate=78,142 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=0.52531898021698} WEIGHT332A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS333the atoms involved in each of the contacts you wish to calculate=78,145 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=0.44403955340385437} WEIGHT333A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS334the atoms involved in each of the contacts you wish to calculate=78,148 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=0.5833463668823242} WEIGHT334A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS335the atoms involved in each of the contacts you wish to calculate=78,149 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=0.5318777561187744} WEIGHT335A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS336the atoms involved in each of the contacts you wish to calculate=78,2623 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=0.5706601738929749} WEIGHT336A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS337the atoms involved in each of the contacts you wish to calculate=78,2625 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=0.5489060878753662} WEIGHT337A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS338the atoms involved in each of the contacts you wish to calculate=78,2627 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=0.5168857574462891} WEIGHT338A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS339the atoms involved in each of the contacts you wish to calculate=78,2636 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=0.526077926158905} WEIGHT339A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS340the atoms involved in each of the contacts you wish to calculate=78,2670 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=0.5074860453605652} WEIGHT340A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS341the atoms involved in each of the contacts you wish to calculate=78,2672 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=0.3855539858341217} WEIGHT341A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS342the atoms involved in each of the contacts you wish to calculate=78,2675 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=0.4632936120033264} WEIGHT342A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS343the atoms involved in each of the contacts you wish to calculate=78,2678 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=0.5396860837936401} WEIGHT343A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS344the atoms involved in each of the contacts you wish to calculate=78,2680 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=0.5255682468414307} WEIGHT344A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS345the atoms involved in each of the contacts you wish to calculate=78,2683 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=0.4937547743320465} WEIGHT345A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS346the atoms involved in each of the contacts you wish to calculate=78,2684 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=0.5237385630607605} WEIGHT346A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS347the atoms involved in each of the contacts you wish to calculate=78,2685 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=0.5033548474311829} WEIGHT347A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS348the atoms involved in each of the contacts you wish to calculate=78,2687 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=0.5341854691505432} WEIGHT348A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS349the atoms involved in each of the contacts you wish to calculate=78,2689 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=0.5978879332542419} WEIGHT349A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS350the atoms involved in each of the contacts you wish to calculate=78,2751 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=0.4983763098716736} WEIGHT350A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS351the atoms involved in each of the contacts you wish to calculate=78,2754 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=0.532656729221344} WEIGHT351A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS352the atoms involved in each of the contacts you wish to calculate=78,2757 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=0.46444469690322876} WEIGHT352A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS353the atoms involved in each of the contacts you wish to calculate=78,2760 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=0.5410969853401184} WEIGHT353A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS354the atoms involved in each of the contacts you wish to calculate=79,142 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=0.551453709602356} WEIGHT354A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS355the atoms involved in each of the contacts you wish to calculate=79,145 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=0.4374862611293793} WEIGHT355A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS356the atoms involved in each of the contacts you wish to calculate=79,148 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=0.539935290813446} WEIGHT356A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS357the atoms involved in each of the contacts you wish to calculate=79,149 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=0.4533641040325165} WEIGHT357A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS358the atoms involved in each of the contacts you wish to calculate=79,656 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=0.5627663731575012} WEIGHT358A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS359the atoms involved in each of the contacts you wish to calculate=79,658 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=0.5932503342628479} WEIGHT359A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS360the atoms involved in each of the contacts you wish to calculate=79,2623 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=0.4883851408958435} WEIGHT360A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS361the atoms involved in each of the contacts you wish to calculate=79,2625 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=0.4583721160888672} WEIGHT361A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS362the atoms involved in each of the contacts you wish to calculate=79,2627 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=0.45889216661453247} WEIGHT362A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS363the atoms involved in each of the contacts you wish to calculate=79,2631 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=0.5897974371910095} WEIGHT363A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS364the atoms involved in each of the contacts you wish to calculate=79,2635 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=0.5004206299781799} WEIGHT364A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS365the atoms involved in each of the contacts you wish to calculate=79,2636 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=0.4208027422428131} WEIGHT365A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS366the atoms involved in each of the contacts you wish to calculate=79,2668 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=0.547883927822113} WEIGHT366A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS367the atoms involved in each of the contacts you wish to calculate=79,2670 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=0.47073233127593994} WEIGHT367A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS368the atoms involved in each of the contacts you wish to calculate=79,2672 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=0.37130147218704224} WEIGHT368A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS369the atoms involved in each of the contacts you wish to calculate=79,2675 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=0.4750472903251648} WEIGHT369A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS370the atoms involved in each of the contacts you wish to calculate=79,2678 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=0.5751712322235107} WEIGHT370A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS371the atoms involved in each of the contacts you wish to calculate=79,2680 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=0.5653483867645264} WEIGHT371A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS372the atoms involved in each of the contacts you wish to calculate=79,2683 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=0.43768784403800964} WEIGHT372A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS373the atoms involved in each of the contacts you wish to calculate=79,2684 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=0.4854326844215393} WEIGHT373A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS374the atoms involved in each of the contacts you wish to calculate=79,2685 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=0.41331222653388977} WEIGHT374A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS375the atoms involved in each of the contacts you wish to calculate=79,2687 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=0.4333093464374542} WEIGHT375A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS376the atoms involved in each of the contacts you wish to calculate=79,2689 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=0.4748903810977936} WEIGHT376A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS377the atoms involved in each of the contacts you wish to calculate=79,2692 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=0.498318076133728} WEIGHT377A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS378the atoms involved in each of the contacts you wish to calculate=79,2695 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=0.5692757964134216} WEIGHT378A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS379the atoms involved in each of the contacts you wish to calculate=79,2698 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=0.5925655364990234} WEIGHT379A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS380the atoms involved in each of the contacts you wish to calculate=79,2707 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=0.5709666609764099} WEIGHT380A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS381the atoms involved in each of the contacts you wish to calculate=79,2751 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=0.49925321340560913} WEIGHT381A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS382the atoms involved in each of the contacts you wish to calculate=79,2754 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=0.5691062808036804} WEIGHT382A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS383the atoms involved in each of the contacts you wish to calculate=79,2757 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=0.5216145515441895} WEIGHT383A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS384the atoms involved in each of the contacts you wish to calculate=79,2760 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=0.5820074677467346} WEIGHT384A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS385the atoms involved in each of the contacts you wish to calculate=81,142 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=0.525982141494751} WEIGHT385A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS386the atoms involved in each of the contacts you wish to calculate=81,145 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=0.3972786068916321} WEIGHT386A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS387the atoms involved in each of the contacts you wish to calculate=81,148 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=0.47352102398872375} WEIGHT387A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS388the atoms involved in each of the contacts you wish to calculate=81,149 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=0.39274802803993225} WEIGHT388A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS389the atoms involved in each of the contacts you wish to calculate=81,590 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=0.5030259490013123} WEIGHT389A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS390the atoms involved in each of the contacts you wish to calculate=81,652 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=0.5840497612953186} WEIGHT390A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS391the atoms involved in each of the contacts you wish to calculate=81,655 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=0.5749348402023315} WEIGHT391A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS392the atoms involved in each of the contacts you wish to calculate=81,656 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=0.49666285514831543} WEIGHT392A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS393the atoms involved in each of the contacts you wish to calculate=81,658 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=0.5448539853096008} WEIGHT393A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS394the atoms involved in each of the contacts you wish to calculate=81,2623 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=0.5673164129257202} WEIGHT394A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS395the atoms involved in each of the contacts you wish to calculate=81,2625 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=0.5287578701972961} WEIGHT395A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS396the atoms involved in each of the contacts you wish to calculate=81,2627 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=0.5546619296073914} WEIGHT396A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS397the atoms involved in each of the contacts you wish to calculate=81,2635 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=0.5497933030128479} WEIGHT397A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS398the atoms involved in each of the contacts you wish to calculate=81,2636 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=0.4579463303089142} WEIGHT398A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS399the atoms involved in each of the contacts you wish to calculate=81,2668 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=0.593340277671814} WEIGHT399A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS400the atoms involved in each of the contacts you wish to calculate=81,2670 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=0.5140514373779297} WEIGHT400A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS401the atoms involved in each of the contacts you wish to calculate=81,2672 SWITCH401The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4491288661956787} WEIGHT401A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS402the atoms involved in each of the contacts you wish to calculate=81,2675 SWITCH402The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.575529158115387} WEIGHT402A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS403the atoms involved in each of the contacts you wish to calculate=81,2683 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=0.4400666356086731} WEIGHT403A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS404the atoms involved in each of the contacts you wish to calculate=81,2684 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=0.4698435068130493} WEIGHT404A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS405the atoms involved in each of the contacts you wish to calculate=81,2685 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=0.39517462253570557} WEIGHT405A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS406the atoms involved in each of the contacts you wish to calculate=81,2687 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=0.3681969940662384} WEIGHT406A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS407the atoms involved in each of the contacts you wish to calculate=81,2689 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=0.40097489953041077} WEIGHT407A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS408the atoms involved in each of the contacts you wish to calculate=81,2692 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=0.39221546053886414} WEIGHT408A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS409the atoms involved in each of the contacts you wish to calculate=81,2695 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=0.44683220982551575} WEIGHT409A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS410the atoms involved in each of the contacts you wish to calculate=81,2698 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=0.45773574709892273} WEIGHT410A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS411the atoms involved in each of the contacts you wish to calculate=81,2700 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=0.5613145232200623} WEIGHT411A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS412the atoms involved in each of the contacts you wish to calculate=81,2707 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=0.49785441160202026} WEIGHT412A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS413the atoms involved in each of the contacts you wish to calculate=81,2708 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=0.5256737470626831} WEIGHT413A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS414the atoms involved in each of the contacts you wish to calculate=81,2748 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=0.5309133529663086} WEIGHT414A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS415the atoms involved in each of the contacts you wish to calculate=81,2751 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=0.4373578131198883} WEIGHT415A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS416the atoms involved in each of the contacts you wish to calculate=81,2754 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=0.5361772775650024} WEIGHT416A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS417the atoms involved in each of the contacts you wish to calculate=81,2757 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=0.5267425775527954} WEIGHT417A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS418the atoms involved in each of the contacts you wish to calculate=81,2760 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=0.5963361263275146} WEIGHT418A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS419the atoms involved in each of the contacts you wish to calculate=83,142 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=0.4696520268917084} WEIGHT419A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS420the atoms involved in each of the contacts you wish to calculate=83,145 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=0.3602140247821808} WEIGHT420A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS421the atoms involved in each of the contacts you wish to calculate=83,148 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=0.45357465744018555} WEIGHT421A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS422the atoms involved in each of the contacts you wish to calculate=83,149 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=0.4248892366886139} WEIGHT422A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS423the atoms involved in each of the contacts you wish to calculate=83,586 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=0.5716477036476135} WEIGHT423A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS424the atoms involved in each of the contacts you wish to calculate=83,590 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=0.42518115043640137} WEIGHT424A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS425the atoms involved in each of the contacts you wish to calculate=83,656 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=0.5878111720085144} WEIGHT425A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS426the atoms involved in each of the contacts you wish to calculate=83,2636 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=0.5849469304084778} WEIGHT426A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS427the atoms involved in each of the contacts you wish to calculate=83,2670 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=0.5852016806602478} WEIGHT427A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS428the atoms involved in each of the contacts you wish to calculate=83,2672 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=0.5251750349998474} WEIGHT428A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS429the atoms involved in each of the contacts you wish to calculate=83,2683 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=0.4977095127105713} WEIGHT429A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS430the atoms involved in each of the contacts you wish to calculate=83,2684 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=0.49413058161735535} WEIGHT430A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS431the atoms involved in each of the contacts you wish to calculate=83,2685 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=0.4733150005340576} WEIGHT431A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS432the atoms involved in each of the contacts you wish to calculate=83,2687 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=0.42556920647621155} WEIGHT432A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS433the atoms involved in each of the contacts you wish to calculate=83,2689 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=0.477904736995697} WEIGHT433A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS434the atoms involved in each of the contacts you wish to calculate=83,2692 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=0.44439736008644104} WEIGHT434A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS435the atoms involved in each of the contacts you wish to calculate=83,2695 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=0.4543248414993286} WEIGHT435A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS436the atoms involved in each of the contacts you wish to calculate=83,2698 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=0.4393700361251831} WEIGHT436A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS437the atoms involved in each of the contacts you wish to calculate=83,2700 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=0.515354335308075} WEIGHT437A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS438the atoms involved in each of the contacts you wish to calculate=83,2704 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=0.5452898740768433} WEIGHT438A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS439the atoms involved in each of the contacts you wish to calculate=83,2707 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=0.5284422039985657} WEIGHT439A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS440the atoms involved in each of the contacts you wish to calculate=83,2708 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=0.5247409343719482} WEIGHT440A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS441the atoms involved in each of the contacts you wish to calculate=83,2746 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=0.5923064351081848} WEIGHT441A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS442the atoms involved in each of the contacts you wish to calculate=83,2748 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=0.4496588110923767} WEIGHT442A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS443the atoms involved in each of the contacts you wish to calculate=83,2751 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=0.36316099762916565} WEIGHT443A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS444the atoms involved in each of the contacts you wish to calculate=83,2754 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=0.4583472013473511} WEIGHT444A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS445the atoms involved in each of the contacts you wish to calculate=83,2757 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=0.47484084963798523} WEIGHT445A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS446the atoms involved in each of the contacts you wish to calculate=83,2760 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=0.5706040263175964} WEIGHT446A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS447the atoms involved in each of the contacts you wish to calculate=84,142 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=0.5002650022506714} WEIGHT447A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS448the atoms involved in each of the contacts you wish to calculate=84,145 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=0.3920181095600128} WEIGHT448A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS449the atoms involved in each of the contacts you wish to calculate=84,148 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=0.44182348251342773} WEIGHT449A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS450the atoms involved in each of the contacts you wish to calculate=84,149 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=0.4325238764286041} WEIGHT450A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS451the atoms involved in each of the contacts you wish to calculate=84,584 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=0.5641710758209229} WEIGHT451A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS452the atoms involved in each of the contacts you wish to calculate=84,586 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=0.4594290852546692} WEIGHT452A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS453the atoms involved in each of the contacts you wish to calculate=84,588 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=0.5039883255958557} WEIGHT453A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS454the atoms involved in each of the contacts you wish to calculate=84,590 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=0.3194636404514313} WEIGHT454A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS455the atoms involved in each of the contacts you wish to calculate=84,594 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=0.5733846426010132} WEIGHT455A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS456the atoms involved in each of the contacts you wish to calculate=84,595 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=0.5550082921981812} WEIGHT456A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS457the atoms involved in each of the contacts you wish to calculate=84,652 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=0.5713930726051331} WEIGHT457A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS458the atoms involved in each of the contacts you wish to calculate=84,656 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=0.5781124234199524} WEIGHT458A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS459the atoms involved in each of the contacts you wish to calculate=84,2683 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=0.5569853782653809} WEIGHT459A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS460the atoms involved in each of the contacts you wish to calculate=84,2684 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=0.537582516670227} WEIGHT460A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS461the atoms involved in each of the contacts you wish to calculate=84,2685 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=0.5191464424133301} WEIGHT461A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS462the atoms involved in each of the contacts you wish to calculate=84,2687 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=0.4334825575351715} WEIGHT462A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS463the atoms involved in each of the contacts you wish to calculate=84,2689 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=0.4717487394809723} WEIGHT463A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS464the atoms involved in each of the contacts you wish to calculate=84,2692 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=0.4009949862957001} WEIGHT464A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS465the atoms involved in each of the contacts you wish to calculate=84,2695 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=0.3724633753299713} WEIGHT465A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS466the atoms involved in each of the contacts you wish to calculate=84,2698 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=0.327600359916687} WEIGHT466A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS467the atoms involved in each of the contacts you wish to calculate=84,2700 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=0.3835701048374176} WEIGHT467A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS468the atoms involved in each of the contacts you wish to calculate=84,2701 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=0.4734238088130951} WEIGHT468A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS469the atoms involved in each of the contacts you wish to calculate=84,2704 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=0.40682312846183777} WEIGHT469A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS470the atoms involved in each of the contacts you wish to calculate=84,2707 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=0.5094203352928162} WEIGHT470A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS471the atoms involved in each of the contacts you wish to calculate=84,2708 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=0.4797842502593994} WEIGHT471A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS472the atoms involved in each of the contacts you wish to calculate=84,2744 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=0.5994447469711304} WEIGHT472A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS473the atoms involved in each of the contacts you wish to calculate=84,2746 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=0.5498915910720825} WEIGHT473A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS474the atoms involved in each of the contacts you wish to calculate=84,2748 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=0.3995659649372101} WEIGHT474A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS475the atoms involved in each of the contacts you wish to calculate=84,2751 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=0.3625049293041229} WEIGHT475A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS476the atoms involved in each of the contacts you wish to calculate=84,2754 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=0.48111751675605774} WEIGHT476A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS477the atoms involved in each of the contacts you wish to calculate=84,2757 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=0.5383992195129395} WEIGHT477A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS478the atoms involved in each of the contacts you wish to calculate=86,138 SWITCH478The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5847785472869873} WEIGHT478A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS479the atoms involved in each of the contacts you wish to calculate=86,140 SWITCH479The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5919957160949707} WEIGHT479A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS480the atoms involved in each of the contacts you wish to calculate=86,142 SWITCH480The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46931782364845276} WEIGHT480A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS481the atoms involved in each of the contacts you wish to calculate=86,145 SWITCH481The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4112861454486847} WEIGHT481A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS482the atoms involved in each of the contacts you wish to calculate=86,148 SWITCH482The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5670715570449829} WEIGHT482A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS483the atoms involved in each of the contacts you wish to calculate=86,149 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=0.555720329284668} WEIGHT483A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS484the atoms involved in each of the contacts you wish to calculate=86,171 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=0.5895600318908691} WEIGHT484A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS485the atoms involved in each of the contacts you wish to calculate=86,2670 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=0.5786440372467041} WEIGHT485A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS486the atoms involved in each of the contacts you wish to calculate=86,2672 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=0.4714941680431366} WEIGHT486A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS487the atoms involved in each of the contacts you wish to calculate=86,2675 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=0.5553250312805176} WEIGHT487A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS488the atoms involved in each of the contacts you wish to calculate=86,2680 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=0.561893880367279} WEIGHT488A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS489the atoms involved in each of the contacts you wish to calculate=86,2683 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=0.5445921421051025} WEIGHT489A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS490the atoms involved in each of the contacts you wish to calculate=86,2684 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=0.5443058013916016} WEIGHT490A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS491the atoms involved in each of the contacts you wish to calculate=86,2685 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=0.5655555129051208} WEIGHT491A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS492the atoms involved in each of the contacts you wish to calculate=86,2687 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=0.5737917423248291} WEIGHT492A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS493the atoms involved in each of the contacts you wish to calculate=86,2748 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=0.5647324323654175} WEIGHT493A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS494the atoms involved in each of the contacts you wish to calculate=86,2751 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=0.4331231713294983} WEIGHT494A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS495the atoms involved in each of the contacts you wish to calculate=86,2754 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=0.4529457986354828} WEIGHT495A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS496the atoms involved in each of the contacts you wish to calculate=86,2757 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=0.40369004011154175} WEIGHT496A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS497the atoms involved in each of the contacts you wish to calculate=86,2760 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=0.5116841793060303} WEIGHT497A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS498the atoms involved in each of the contacts you wish to calculate=88,140 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=0.5784699320793152} WEIGHT498A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS499the atoms involved in each of the contacts you wish to calculate=88,142 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=0.43813228607177734} WEIGHT499A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS500the atoms involved in each of the contacts you wish to calculate=88,145 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=0.3675037920475006} WEIGHT500A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS501the atoms involved in each of the contacts you wish to calculate=88,148 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=0.5040047764778137} WEIGHT501A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS502the atoms involved in each of the contacts you wish to calculate=88,149 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=0.5073596835136414} WEIGHT502A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS503the atoms involved in each of the contacts you wish to calculate=88,171 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=0.5801118612289429} WEIGHT503A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS504the atoms involved in each of the contacts you wish to calculate=88,590 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=0.49149349331855774} WEIGHT504A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS505the atoms involved in each of the contacts you wish to calculate=88,2672 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=0.5349056124687195} WEIGHT505A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS506the atoms involved in each of the contacts you wish to calculate=88,2683 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=0.547234833240509} WEIGHT506A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS507the atoms involved in each of the contacts you wish to calculate=88,2684 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=0.5313664078712463} WEIGHT507A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS508the atoms involved in each of the contacts you wish to calculate=88,2685 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=0.553257942199707} WEIGHT508A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS509the atoms involved in each of the contacts you wish to calculate=88,2687 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=0.5274791717529297} WEIGHT509A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS510the atoms involved in each of the contacts you wish to calculate=88,2689 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=0.599891722202301} WEIGHT510A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS511the atoms involved in each of the contacts you wish to calculate=88,2692 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=0.5785033106803894} WEIGHT511A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS512the atoms involved in each of the contacts you wish to calculate=88,2695 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=0.580222487449646} WEIGHT512A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS513the atoms involved in each of the contacts you wish to calculate=88,2698 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=0.5632504224777222} WEIGHT513A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS514the atoms involved in each of the contacts you wish to calculate=88,2748 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=0.47051045298576355} WEIGHT514A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS515the atoms involved in each of the contacts you wish to calculate=88,2751 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=0.3613017797470093} WEIGHT515A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS516the atoms involved in each of the contacts you wish to calculate=88,2754 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=0.4116445481777191} WEIGHT516A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS517the atoms involved in each of the contacts you wish to calculate=88,2757 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=0.41064453125} WEIGHT517A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS518the atoms involved in each of the contacts you wish to calculate=88,2760 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=0.5283654928207397} WEIGHT518A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS519the atoms involved in each of the contacts you wish to calculate=90,138 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=0.4243747293949127} WEIGHT519A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS520the atoms involved in each of the contacts you wish to calculate=90,140 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=0.5021840929985046} WEIGHT520A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS521the atoms involved in each of the contacts you wish to calculate=90,142 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=0.45640888810157776} WEIGHT521A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS522the atoms involved in each of the contacts you wish to calculate=90,145 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=0.4445964992046356} WEIGHT522A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS523the atoms involved in each of the contacts you wish to calculate=90,149 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=0.5974119305610657} WEIGHT523A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS524the atoms involved in each of the contacts you wish to calculate=90,153 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=0.5916438102722168} WEIGHT524A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS525the atoms involved in each of the contacts you wish to calculate=90,155 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=0.570597231388092} WEIGHT525A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS526the atoms involved in each of the contacts you wish to calculate=90,2627 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=0.5549215078353882} WEIGHT526A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS527the atoms involved in each of the contacts you wish to calculate=91,138 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=0.3081962466239929} WEIGHT527A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS528the atoms involved in each of the contacts you wish to calculate=91,140 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=0.3824211061000824} WEIGHT528A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS529the atoms involved in each of the contacts you wish to calculate=91,142 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=0.3445199429988861} WEIGHT529A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS530the atoms involved in each of the contacts you wish to calculate=91,145 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=0.33717793226242065} WEIGHT530A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS531the atoms involved in each of the contacts you wish to calculate=91,148 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=0.49571865797042847} WEIGHT531A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS532the atoms involved in each of the contacts you wish to calculate=91,149 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=0.5042459964752197} WEIGHT532A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS533the atoms involved in each of the contacts you wish to calculate=91,153 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=0.48180630803108215} WEIGHT533A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS534the atoms involved in each of the contacts you wish to calculate=91,154 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=0.5948377847671509} WEIGHT534A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS535the atoms involved in each of the contacts you wish to calculate=91,155 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=0.47700121998786926} WEIGHT535A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS536the atoms involved in each of the contacts you wish to calculate=91,171 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=0.5943348407745361} WEIGHT536A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS537the atoms involved in each of the contacts you wish to calculate=91,2627 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=0.5745858550071716} WEIGHT537A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS538the atoms involved in each of the contacts you wish to calculate=92,155 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=0.5790080428123474} WEIGHT538A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS539the atoms involved in each of the contacts you wish to calculate=92,171 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=0.5746477842330933} WEIGHT539A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS540the atoms involved in each of the contacts you wish to calculate=94,155 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=0.4843006730079651} WEIGHT540A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS541the atoms involved in each of the contacts you wish to calculate=94,157 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=0.5622499585151672} WEIGHT541A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS542the atoms involved in each of the contacts you wish to calculate=94,159 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=0.5243215560913086} WEIGHT542A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS543the atoms involved in each of the contacts you wish to calculate=94,165 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=0.5999416708946228} WEIGHT543A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS544the atoms involved in each of the contacts you wish to calculate=94,168 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=0.5529745817184448} WEIGHT544A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS545the atoms involved in each of the contacts you wish to calculate=94,170 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=0.4922621250152588} WEIGHT545A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS546the atoms involved in each of the contacts you wish to calculate=94,171 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=0.45928311347961426} WEIGHT546A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS547the atoms involved in each of the contacts you wish to calculate=94,174 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=0.5119433403015137} WEIGHT547A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS548the atoms involved in each of the contacts you wish to calculate=96,155 SWITCH548The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5784645080566406} WEIGHT548A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS549the atoms involved in each of the contacts you wish to calculate=96,159 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=0.5526999235153198} WEIGHT549A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS550the atoms involved in each of the contacts you wish to calculate=96,168 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=0.5265917778015137} WEIGHT550A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS551the atoms involved in each of the contacts you wish to calculate=96,170 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=0.4661823809146881} WEIGHT551A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS552the atoms involved in each of the contacts you wish to calculate=96,171 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=0.4726616144180298} WEIGHT552A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS553the atoms involved in each of the contacts you wish to calculate=96,174 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=0.4499933421611786} WEIGHT553A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS554the atoms involved in each of the contacts you wish to calculate=99,168 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=0.5757662057876587} WEIGHT554A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS555the atoms involved in each of the contacts you wish to calculate=99,170 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=0.4870009124279022} WEIGHT555A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS556the atoms involved in each of the contacts you wish to calculate=99,171 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=0.491630882024765} WEIGHT556A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS557the atoms involved in each of the contacts you wish to calculate=99,174 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=0.4352952837944031} WEIGHT557A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS558the atoms involved in each of the contacts you wish to calculate=102,168 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=0.49716469645500183} WEIGHT558A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS559the atoms involved in each of the contacts you wish to calculate=102,170 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=0.38504528999328613} WEIGHT559A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS560the atoms involved in each of the contacts you wish to calculate=102,171 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=0.37644773721694946} WEIGHT560A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS561the atoms involved in each of the contacts you wish to calculate=102,174 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=0.3296087980270386} WEIGHT561A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS562the atoms involved in each of the contacts you wish to calculate=102,2757 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=0.5824377536773682} WEIGHT562A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS563the atoms involved in each of the contacts you wish to calculate=103,165 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=0.571112871170044} WEIGHT563A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS564the atoms involved in each of the contacts you wish to calculate=103,168 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=0.49017825722694397} WEIGHT564A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS565the atoms involved in each of the contacts you wish to calculate=103,170 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=0.3726847171783447} WEIGHT565A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS566the atoms involved in each of the contacts you wish to calculate=103,171 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=0.32049480080604553} WEIGHT566A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS567the atoms involved in each of the contacts you wish to calculate=103,174 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=0.35675477981567383} WEIGHT567A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS568the atoms involved in each of the contacts you wish to calculate=103,2754 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=0.5845682621002197} WEIGHT568A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS569the atoms involved in each of the contacts you wish to calculate=103,2757 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=0.5356993079185486} WEIGHT569A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS570the atoms involved in each of the contacts you wish to calculate=104,168 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=0.48746052384376526} WEIGHT570A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS571the atoms involved in each of the contacts you wish to calculate=104,170 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=0.37119659781455994} WEIGHT571A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS572the atoms involved in each of the contacts you wish to calculate=104,171 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=0.39011022448539734} WEIGHT572A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS573the atoms involved in each of the contacts you wish to calculate=104,174 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=0.2769278585910797} WEIGHT573A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS574the atoms involved in each of the contacts you wish to calculate=105,155 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=0.3936966359615326} WEIGHT574A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS575the atoms involved in each of the contacts you wish to calculate=105,157 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=0.47846728563308716} WEIGHT575A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS576the atoms involved in each of the contacts you wish to calculate=105,159 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=0.44442665576934814} WEIGHT576A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS577the atoms involved in each of the contacts you wish to calculate=105,162 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=0.5618299245834351} WEIGHT577A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS578the atoms involved in each of the contacts you wish to calculate=105,165 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=0.5813999176025391} WEIGHT578A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS579the atoms involved in each of the contacts you wish to calculate=105,168 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=0.5617444515228271} WEIGHT579A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS580the atoms involved in each of the contacts you wish to calculate=105,170 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=0.5358394384384155} WEIGHT580A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS581the atoms involved in each of the contacts you wish to calculate=105,171 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=0.5119461417198181} WEIGHT581A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS582the atoms involved in each of the contacts you wish to calculate=105,174 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=0.5792010426521301} WEIGHT582A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS583the atoms involved in each of the contacts you wish to calculate=105,177 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=0.5971757769584656} WEIGHT583A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS584the atoms involved in each of the contacts you wish to calculate=106,155 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=0.2777823805809021} WEIGHT584A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS585the atoms involved in each of the contacts you wish to calculate=106,157 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=0.35657399892807007} WEIGHT585A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS586the atoms involved in each of the contacts you wish to calculate=106,159 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=0.3310907185077667} WEIGHT586A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS587the atoms involved in each of the contacts you wish to calculate=106,162 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=0.4581385850906372} WEIGHT587A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS588the atoms involved in each of the contacts you wish to calculate=106,165 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=0.48814958333969116} WEIGHT588A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS589the atoms involved in each of the contacts you wish to calculate=106,168 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=0.4935433566570282} WEIGHT589A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS590the atoms involved in each of the contacts you wish to calculate=106,170 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=0.4893241226673126} WEIGHT590A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS591the atoms involved in each of the contacts you wish to calculate=106,171 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=0.465021550655365} WEIGHT591A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS592the atoms involved in each of the contacts you wish to calculate=106,174 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=0.5579372644424438} WEIGHT592A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS593the atoms involved in each of the contacts you wish to calculate=106,177 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=0.4753956198692322} WEIGHT593A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS594the atoms involved in each of the contacts you wish to calculate=106,178 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=0.49455469846725464} WEIGHT594A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS595the atoms involved in each of the contacts you wish to calculate=106,179 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=0.5882182717323303} WEIGHT595A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS596the atoms involved in each of the contacts you wish to calculate=107,2489 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=0.5789481401443481} WEIGHT596A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS597the atoms involved in each of the contacts you wish to calculate=107,2493 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=0.5983418226242065} WEIGHT597A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS598the atoms involved in each of the contacts you wish to calculate=109,2472 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=0.5220774412155151} WEIGHT598A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS599the atoms involved in each of the contacts you wish to calculate=109,2489 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=0.49669909477233887} WEIGHT599A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS600the atoms involved in each of the contacts you wish to calculate=109,2493 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=0.5393236875534058} WEIGHT600A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS601the atoms involved in each of the contacts you wish to calculate=111,2472 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=0.49834689497947693} WEIGHT601A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS602the atoms involved in each of the contacts you wish to calculate=111,2487 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=0.5349353551864624} WEIGHT602A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS603the atoms involved in each of the contacts you wish to calculate=111,2489 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=0.41478776931762695} WEIGHT603A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS604the atoms involved in each of the contacts you wish to calculate=111,2491 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=0.5678739547729492} WEIGHT604A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS605the atoms involved in each of the contacts you wish to calculate=111,2493 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=0.43599191308021545} WEIGHT605A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS606the atoms involved in each of the contacts you wish to calculate=114,2466 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=0.5594121217727661} WEIGHT606A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS607the atoms involved in each of the contacts you wish to calculate=114,2468 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=0.5172153115272522} WEIGHT607A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS608the atoms involved in each of the contacts you wish to calculate=114,2472 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=0.39070579409599304} WEIGHT608A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS609the atoms involved in each of the contacts you wish to calculate=114,2487 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=0.5118759870529175} WEIGHT609A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS610the atoms involved in each of the contacts you wish to calculate=114,2489 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=0.41589900851249695} WEIGHT610A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS611the atoms involved in each of the contacts you wish to calculate=114,2491 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=0.580029308795929} WEIGHT611A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS612the atoms involved in each of the contacts you wish to calculate=114,2493 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=0.4583949148654938} WEIGHT612A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS613the atoms involved in each of the contacts you wish to calculate=115,2466 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=0.49345827102661133} WEIGHT613A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS614the atoms involved in each of the contacts you wish to calculate=115,2468 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=0.42680782079696655} WEIGHT614A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS615the atoms involved in each of the contacts you wish to calculate=115,2469 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=0.522367537021637} WEIGHT615A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS616the atoms involved in each of the contacts you wish to calculate=115,2472 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=0.2924553155899048} WEIGHT616A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS617the atoms involved in each of the contacts you wish to calculate=115,2487 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=0.5158274173736572} WEIGHT617A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS618the atoms involved in each of the contacts you wish to calculate=115,2489 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=0.44396498799324036} WEIGHT618A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS619the atoms involved in each of the contacts you wish to calculate=115,2493 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=0.5182554721832275} WEIGHT619A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS620the atoms involved in each of the contacts you wish to calculate=116,2466 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=0.5777896046638489} WEIGHT620A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS621the atoms involved in each of the contacts you wish to calculate=116,2468 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=0.557919979095459} WEIGHT621A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS622the atoms involved in each of the contacts you wish to calculate=116,2472 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=0.4431975185871124} WEIGHT622A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS623the atoms involved in each of the contacts you wish to calculate=116,2476 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=0.5856500267982483} WEIGHT623A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS624the atoms involved in each of the contacts you wish to calculate=116,2487 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=0.5392717719078064} WEIGHT624A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS625the atoms involved in each of the contacts you wish to calculate=116,2489 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=0.44796767830848694} WEIGHT625A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS626the atoms involved in each of the contacts you wish to calculate=116,2491 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=0.5705269575119019} WEIGHT626A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS627the atoms involved in each of the contacts you wish to calculate=116,2493 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=0.46698707342147827} WEIGHT627A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS628the atoms involved in each of the contacts you wish to calculate=117,2468 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=0.5794000029563904} WEIGHT628A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS629the atoms involved in each of the contacts you wish to calculate=117,2472 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=0.4666624069213867} WEIGHT629A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS630the atoms involved in each of the contacts you wish to calculate=117,2487 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=0.5343987345695496} WEIGHT630A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS631the atoms involved in each of the contacts you wish to calculate=117,2489 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=0.44154852628707886} WEIGHT631A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS632the atoms involved in each of the contacts you wish to calculate=117,2493 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=0.5117276310920715} WEIGHT632A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS633the atoms involved in each of the contacts you wish to calculate=118,179 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=0.5948761105537415} WEIGHT633A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS634the atoms involved in each of the contacts you wish to calculate=118,2468 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=0.5226342082023621} WEIGHT634A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS635the atoms involved in each of the contacts you wish to calculate=118,2469 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=0.5688244700431824} WEIGHT635A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS636the atoms involved in each of the contacts you wish to calculate=118,2472 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=0.4147334694862366} WEIGHT636A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS637the atoms involved in each of the contacts you wish to calculate=118,2487 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=0.5643527507781982} WEIGHT637A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS638the atoms involved in each of the contacts you wish to calculate=118,2489 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=0.496494859457016} WEIGHT638A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS639the atoms involved in each of the contacts you wish to calculate=118,2493 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=0.5889899730682373} WEIGHT639A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS640the atoms involved in each of the contacts you wish to calculate=119,2472 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=0.5287625789642334} WEIGHT640A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS641the atoms involved in each of the contacts you wish to calculate=119,2487 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=0.4841465950012207} WEIGHT641A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS642the atoms involved in each of the contacts you wish to calculate=119,2489 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=0.3875008821487427} WEIGHT642A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS643the atoms involved in each of the contacts you wish to calculate=119,2491 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=0.5781373977661133} WEIGHT643A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS644the atoms involved in each of the contacts you wish to calculate=119,2493 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=0.4469820559024811} WEIGHT644A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS645the atoms involved in each of the contacts you wish to calculate=121,2472 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=0.5315241813659668} WEIGHT645A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS646the atoms involved in each of the contacts you wish to calculate=121,2485 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=0.5696990489959717} WEIGHT646A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS647the atoms involved in each of the contacts you wish to calculate=121,2487 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=0.4506149888038635} WEIGHT647A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS648the atoms involved in each of the contacts you wish to calculate=121,2489 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=0.3882794678211212} WEIGHT648A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS649the atoms involved in each of the contacts you wish to calculate=121,2491 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=0.5852476954460144} WEIGHT649A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS650the atoms involved in each of the contacts you wish to calculate=121,2493 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=0.46923863887786865} WEIGHT650A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS651the atoms involved in each of the contacts you wish to calculate=123,701 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=0.5456225872039795} WEIGHT651A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS652the atoms involved in each of the contacts you wish to calculate=123,2484 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=0.5791321396827698} WEIGHT652A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS653the atoms involved in each of the contacts you wish to calculate=123,2485 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=0.5373994708061218} WEIGHT653A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS654the atoms involved in each of the contacts you wish to calculate=123,2487 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=0.44423991441726685} WEIGHT654A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS655the atoms involved in each of the contacts you wish to calculate=123,2489 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=0.3876829445362091} WEIGHT655A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS656the atoms involved in each of the contacts you wish to calculate=123,2491 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=0.5357497930526733} WEIGHT656A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS657the atoms involved in each of the contacts you wish to calculate=123,2493 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=0.441449910402298} WEIGHT657A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS658the atoms involved in each of the contacts you wish to calculate=123,2627 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=0.5330907106399536} WEIGHT658A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS659the atoms involved in each of the contacts you wish to calculate=126,630 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=0.5642926096916199} WEIGHT659A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS660the atoms involved in each of the contacts you wish to calculate=126,639 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=0.5190467238426208} WEIGHT660A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS661the atoms involved in each of the contacts you wish to calculate=126,647 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=0.5666074752807617} WEIGHT661A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS662the atoms involved in each of the contacts you wish to calculate=126,699 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=0.5293826460838318} WEIGHT662A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS663the atoms involved in each of the contacts you wish to calculate=126,701 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=0.42170247435569763} WEIGHT663A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS664the atoms involved in each of the contacts you wish to calculate=126,703 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=0.5110330581665039} WEIGHT664A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS665the atoms involved in each of the contacts you wish to calculate=126,2484 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=0.5906072854995728} WEIGHT665A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS666the atoms involved in each of the contacts you wish to calculate=126,2485 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=0.5313333868980408} WEIGHT666A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS667the atoms involved in each of the contacts you wish to calculate=126,2487 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=0.455870658159256} WEIGHT667A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS668the atoms involved in each of the contacts you wish to calculate=126,2489 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=0.4450112581253052} WEIGHT668A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS669the atoms involved in each of the contacts you wish to calculate=126,2491 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=0.5807830095291138} WEIGHT669A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS670the atoms involved in each of the contacts you wish to calculate=126,2493 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=0.5123680233955383} WEIGHT670A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS671the atoms involved in each of the contacts you wish to calculate=126,2627 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=0.5922099351882935} WEIGHT671A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS672the atoms involved in each of the contacts you wish to calculate=128,639 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=0.5221266746520996} WEIGHT672A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS673the atoms involved in each of the contacts you wish to calculate=128,642 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=0.5704806447029114} WEIGHT673A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS674the atoms involved in each of the contacts you wish to calculate=128,699 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=0.5785180926322937} WEIGHT674A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS675the atoms involved in each of the contacts you wish to calculate=128,701 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=0.4796541929244995} WEIGHT675A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS676the atoms involved in each of the contacts you wish to calculate=128,703 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=0.5436229705810547} WEIGHT676A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS677the atoms involved in each of the contacts you wish to calculate=128,2466 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=0.593165934085846} WEIGHT677A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS678the atoms involved in each of the contacts you wish to calculate=128,2468 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=0.5919168591499329} WEIGHT678A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS679the atoms involved in each of the contacts you wish to calculate=128,2472 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=0.5895395874977112} WEIGHT679A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS680the atoms involved in each of the contacts you wish to calculate=128,2484 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=0.5013759136199951} WEIGHT680A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS681the atoms involved in each of the contacts you wish to calculate=128,2485 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=0.4169052243232727} WEIGHT681A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS682the atoms involved in each of the contacts you wish to calculate=128,2487 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=0.3465384542942047} WEIGHT682A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS683the atoms involved in each of the contacts you wish to calculate=128,2489 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=0.3778967559337616} WEIGHT683A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS684the atoms involved in each of the contacts you wish to calculate=128,2491 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=0.5218582153320312} WEIGHT684A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS685the atoms involved in each of the contacts you wish to calculate=128,2493 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=0.467732697725296} WEIGHT685A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS686the atoms involved in each of the contacts you wish to calculate=128,2579 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=0.5743491053581238} WEIGHT686A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS687the atoms involved in each of the contacts you wish to calculate=132,630 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=0.557230532169342} WEIGHT687A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS688the atoms involved in each of the contacts you wish to calculate=132,639 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=0.5518144369125366} WEIGHT688A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS689the atoms involved in each of the contacts you wish to calculate=132,646 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=0.5439162850379944} WEIGHT689A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS690the atoms involved in each of the contacts you wish to calculate=132,647 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=0.4817323386669159} WEIGHT690A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS691the atoms involved in each of the contacts you wish to calculate=132,648 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=0.5847914218902588} WEIGHT691A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS692the atoms involved in each of the contacts you wish to calculate=132,650 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=0.5656059384346008} WEIGHT692A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS693the atoms involved in each of the contacts you wish to calculate=132,695 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=0.5839726328849792} WEIGHT693A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS694the atoms involved in each of the contacts you wish to calculate=132,697 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=0.5116190314292908} WEIGHT694A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS695the atoms involved in each of the contacts you wish to calculate=132,699 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=0.38981035351753235} WEIGHT695A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS696the atoms involved in each of the contacts you wish to calculate=132,701 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=0.2981325387954712} WEIGHT696A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS697the atoms involved in each of the contacts you wish to calculate=132,703 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=0.3689349889755249} WEIGHT697A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS698the atoms involved in each of the contacts you wish to calculate=132,2485 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=0.5833978652954102} WEIGHT698A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS699the atoms involved in each of the contacts you wish to calculate=132,2487 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=0.538625955581665} WEIGHT699A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS700the atoms involved in each of the contacts you wish to calculate=132,2489 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=0.5302574634552002} WEIGHT700A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS701the atoms involved in each of the contacts you wish to calculate=132,2493 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=0.5676487684249878} WEIGHT701A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS702the atoms involved in each of the contacts you wish to calculate=132,2579 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=0.5303641557693481} WEIGHT702A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS703the atoms involved in each of the contacts you wish to calculate=132,2625 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=0.5635920763015747} WEIGHT703A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS704the atoms involved in each of the contacts you wish to calculate=132,2627 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=0.5122939944267273} WEIGHT704A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS705the atoms involved in each of the contacts you wish to calculate=132,2631 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=0.5500911474227905} WEIGHT705A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS706the atoms involved in each of the contacts you wish to calculate=136,630 SWITCH706The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5960034728050232} WEIGHT706A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS707the atoms involved in each of the contacts you wish to calculate=136,639 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=0.5961722731590271} WEIGHT707A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS708the atoms involved in each of the contacts you wish to calculate=136,2487 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=0.583244264125824} WEIGHT708A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS709the atoms involved in each of the contacts you wish to calculate=136,2489 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=0.5341731309890747} WEIGHT709A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS710the atoms involved in each of the contacts you wish to calculate=137,630 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=0.5356175303459167} WEIGHT710A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS711the atoms involved in each of the contacts you wish to calculate=137,633 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=0.5274797677993774} WEIGHT711A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS712the atoms involved in each of the contacts you wish to calculate=137,636 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=0.5731673240661621} WEIGHT712A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS713the atoms involved in each of the contacts you wish to calculate=137,639 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=0.49891984462738037} WEIGHT713A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS714the atoms involved in each of the contacts you wish to calculate=137,2472 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=0.595513105392456} WEIGHT714A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS715the atoms involved in each of the contacts you wish to calculate=137,2489 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=0.5868245959281921} WEIGHT715A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS716the atoms involved in each of the contacts you wish to calculate=140,590 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=0.5583635568618774} WEIGHT716A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS717the atoms involved in each of the contacts you wish to calculate=140,630 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=0.5547485947608948} WEIGHT717A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS718the atoms involved in each of the contacts you wish to calculate=140,633 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=0.5800905227661133} WEIGHT718A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS719the atoms involved in each of the contacts you wish to calculate=142,526 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=0.5594255924224854} WEIGHT719A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS720the atoms involved in each of the contacts you wish to calculate=142,584 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=0.5549558997154236} WEIGHT720A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS721the atoms involved in each of the contacts you wish to calculate=142,586 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=0.5379312038421631} WEIGHT721A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS722the atoms involved in each of the contacts you wish to calculate=142,588 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=0.5218092799186707} WEIGHT722A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS723the atoms involved in each of the contacts you wish to calculate=142,590 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=0.4539978504180908} WEIGHT723A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS724the atoms involved in each of the contacts you wish to calculate=145,584 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=0.5172803997993469} WEIGHT724A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS725the atoms involved in each of the contacts you wish to calculate=145,586 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=0.4952909052371979} WEIGHT725A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS726the atoms involved in each of the contacts you wish to calculate=145,588 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=0.5163933038711548} WEIGHT726A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS727the atoms involved in each of the contacts you wish to calculate=145,590 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=0.3797434866428375} WEIGHT727A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS728the atoms involved in each of the contacts you wish to calculate=145,594 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=0.5665209889411926} WEIGHT728A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS729the atoms involved in each of the contacts you wish to calculate=145,595 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=0.520941436290741} WEIGHT729A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS730the atoms involved in each of the contacts you wish to calculate=145,630 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=0.5681661367416382} WEIGHT730A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS731the atoms involved in each of the contacts you wish to calculate=148,580 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=0.5768718123435974} WEIGHT731A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS732the atoms involved in each of the contacts you wish to calculate=148,581 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=0.5350991487503052} WEIGHT732A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS733the atoms involved in each of the contacts you wish to calculate=148,582 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=0.5240075588226318} WEIGHT733A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS734the atoms involved in each of the contacts you wish to calculate=148,584 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=0.3957940936088562} WEIGHT734A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS735the atoms involved in each of the contacts you wish to calculate=148,586 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=0.4171845316886902} WEIGHT735A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS736the atoms involved in each of the contacts you wish to calculate=148,588 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=0.47629809379577637} WEIGHT736A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS737the atoms involved in each of the contacts you wish to calculate=148,590 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=0.31982025504112244} WEIGHT737A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS738the atoms involved in each of the contacts you wish to calculate=148,594 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=0.4200356900691986} WEIGHT738A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS739the atoms involved in each of the contacts you wish to calculate=148,595 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=0.3578909933567047} WEIGHT739A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS740the atoms involved in each of the contacts you wish to calculate=148,596 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=0.5506514310836792} WEIGHT740A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS741the atoms involved in each of the contacts you wish to calculate=148,626 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=0.5499582290649414} WEIGHT741A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS742the atoms involved in each of the contacts you wish to calculate=148,628 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=0.49906522035598755} WEIGHT742A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS743the atoms involved in each of the contacts you wish to calculate=148,630 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=0.400346040725708} WEIGHT743A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS744the atoms involved in each of the contacts you wish to calculate=148,633 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=0.5002557635307312} WEIGHT744A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS745the atoms involved in each of the contacts you wish to calculate=148,646 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=0.4797811508178711} WEIGHT745A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS746the atoms involved in each of the contacts you wish to calculate=148,647 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=0.5423163771629333} WEIGHT746A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS747the atoms involved in each of the contacts you wish to calculate=148,648 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=0.43947696685791016} WEIGHT747A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS748the atoms involved in each of the contacts you wish to calculate=148,650 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=0.48157763481140137} WEIGHT748A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS749the atoms involved in each of the contacts you wish to calculate=148,652 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=0.488968163728714} WEIGHT749A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS750the atoms involved in each of the contacts you wish to calculate=148,655 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=0.5896455645561218} WEIGHT750A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS751the atoms involved in each of the contacts you wish to calculate=148,656 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=0.5817885994911194} WEIGHT751A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS752the atoms involved in each of the contacts you wish to calculate=148,701 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=0.5995648503303528} WEIGHT752A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS753the atoms involved in each of the contacts you wish to calculate=148,2698 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=0.5728715658187866} WEIGHT753A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS754the atoms involved in each of the contacts you wish to calculate=148,2704 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=0.5727450847625732} WEIGHT754A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS755the atoms involved in each of the contacts you wish to calculate=149,584 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=0.5101195573806763} WEIGHT755A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS756the atoms involved in each of the contacts you wish to calculate=149,586 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=0.5241010785102844} WEIGHT756A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS757the atoms involved in each of the contacts you wish to calculate=149,590 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=0.4023629426956177} WEIGHT757A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS758the atoms involved in each of the contacts you wish to calculate=149,594 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=0.4838542342185974} WEIGHT758A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS759the atoms involved in each of the contacts you wish to calculate=149,595 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=0.38894855976104736} WEIGHT759A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS760the atoms involved in each of the contacts you wish to calculate=149,596 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=0.5996214747428894} WEIGHT760A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS761the atoms involved in each of the contacts you wish to calculate=149,626 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=0.5773777961730957} WEIGHT761A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS762the atoms involved in each of the contacts you wish to calculate=149,628 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=0.5109942555427551} WEIGHT762A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS763the atoms involved in each of the contacts you wish to calculate=149,630 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=0.4506794512271881} WEIGHT763A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS764the atoms involved in each of the contacts you wish to calculate=149,633 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=0.5796971917152405} WEIGHT764A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS765the atoms involved in each of the contacts you wish to calculate=149,646 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=0.4391547739505768} WEIGHT765A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS766the atoms involved in each of the contacts you wish to calculate=149,647 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=0.4746769070625305} WEIGHT766A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS767the atoms involved in each of the contacts you wish to calculate=149,648 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=0.38327667117118835} WEIGHT767A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS768the atoms involved in each of the contacts you wish to calculate=149,650 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=0.3722928464412689} WEIGHT768A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS769the atoms involved in each of the contacts you wish to calculate=149,652 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=0.3782920241355896} WEIGHT769A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS770the atoms involved in each of the contacts you wish to calculate=149,655 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=0.4481750726699829} WEIGHT770A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS771the atoms involved in each of the contacts you wish to calculate=149,656 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=0.41668808460235596} WEIGHT771A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS772the atoms involved in each of the contacts you wish to calculate=149,658 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=0.5352613925933838} WEIGHT772A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS773the atoms involved in each of the contacts you wish to calculate=149,663 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=0.583707869052887} WEIGHT773A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS774the atoms involved in each of the contacts you wish to calculate=149,667 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=0.5153125524520874} WEIGHT774A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS775the atoms involved in each of the contacts you wish to calculate=149,668 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=0.5617125630378723} WEIGHT775A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS776the atoms involved in each of the contacts you wish to calculate=149,699 SWITCH776The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5699878334999084} WEIGHT776A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS777the atoms involved in each of the contacts you wish to calculate=149,701 SWITCH777The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48607099056243896} WEIGHT777A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS778the atoms involved in each of the contacts you wish to calculate=149,2692 SWITCH778The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5220784544944763} WEIGHT778A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS779the atoms involved in each of the contacts you wish to calculate=149,2695 SWITCH779The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918681025505066} WEIGHT779A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS780the atoms involved in each of the contacts you wish to calculate=149,2698 SWITCH780The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5204582214355469} WEIGHT780A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS781the atoms involved in each of the contacts you wish to calculate=149,2704 SWITCH781The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5899304151535034} WEIGHT781A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS782the atoms involved in each of the contacts you wish to calculate=154,526 SWITCH782The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5903313755989075} WEIGHT782A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS783the atoms involved in each of the contacts you wish to calculate=154,577 SWITCH783The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49059754610061646} WEIGHT783A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS784the atoms involved in each of the contacts you wish to calculate=154,588 SWITCH784The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5942767262458801} WEIGHT784A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS785the atoms involved in each of the contacts you wish to calculate=154,630 SWITCH785The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5996265411376953} WEIGHT785A weight value for a given contact, by default is 1=0.001272264631043257 ATOMS786the atoms involved in each of the contacts you wish to calculate=154,633 SWITCH786The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.572318971157074} WEIGHT786A weight value for a given contact, by default is 1=0.001272264631043257 LABELa label for the action so that its output can be referenced in the input to other actions=q 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=1.0207823514938354} 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=0.9759389162063599} 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=0.9939767122268677} 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=73,590 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=0.8353566527366638} 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=0.9385504126548767} 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=0.9241644144058228} 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=0.9175434708595276} 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=0.8096937537193298} 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=0.8399285078048706} 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=0.9707099795341492} 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=1.0249698162078857} 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=1.0370583534240723} 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=1.0619831085205078} 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=0.5695807337760925} 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=0.5300518870353699} 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=0.4312378168106079} 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=0.6657891273498535} 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=0.6585873365402222} 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=0.5113325119018555} 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=0.5218219757080078} 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=0.6089567542076111} 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=0.6763537526130676} 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=0.6415490508079529} 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=0.7476959824562073} 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=0.7886298894882202} 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=0.8167563676834106} 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=0.8933829665184021} 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=0.9013334512710571} 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=0.9998608827590942} 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=1.0936754941940308} 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=1.0229334831237793} 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=1.02008855342865} 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=0.95534747838974} 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=0.973666250705719} 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=75,590 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=0.8102474212646484} 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=0.9539626836776733} 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=0.914581835269928} 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=0.8970362544059753} 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=0.7897898554801941} 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=0.8095752000808716} 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=0.9316920042037964} 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=0.9787600040435791} 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=1.0071018934249878} 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=1.0238184928894043} 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=0.5463424921035767} 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=0.5381700396537781} 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=0.4755480885505676} 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=0.6863723993301392} 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=0.5225564241409302} 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=0.37662312388420105} 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=0.4034428596496582} 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=0.48040005564689636} 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=0.5620198249816895} 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=0.49693572521209717} 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=0.635346531867981} 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=0.699663519859314} 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=0.74198317527771} 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=0.8071710467338562} 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=0.8316332697868347} 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=0.9282057881355286} 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=1.0080684423446655} 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=0.9657996296882629} 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=0.887342095375061} 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=0.8156580328941345} 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=0.8382583856582642} 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=78,590 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=0.6692727208137512} 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=0.8519975543022156} 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=0.7995429635047913} 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=0.7911327481269836} 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=0.696287989616394} 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=0.7300910353660583} 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=0.8499522805213928} 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=0.9108555912971497} 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=0.9014616012573242} 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=0.9288384914398193} 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=0.5706601738929749} 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=0.5489060878753662} 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=0.5168857574462891} 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=0.6892299652099609} 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=0.5074860453605652} 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=0.3855539858341217} 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=0.4632936120033264} 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=0.5396860837936401} 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=0.6401649117469788} 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=0.5255682468414307} 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=0.5341854691505432} 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=0.5978879332542419} 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=0.6212648153305054} 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=0.6743842959403992} 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=0.6897905468940735} 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=0.7820556163787842} 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=0.8637980818748474} 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=0.817728579044342} 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=0.8389666676521301} 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=0.7739489674568176} 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=0.8190715312957764} 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=79,590 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=0.6218255162239075} 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=0.7399952411651611} 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=0.6816113591194153} 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=0.661369800567627} 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=0.5627663731575012} 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=0.5932503342628479} 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=0.7126639485359192} 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=0.7758923172950745} 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=0.7687418460845947} 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=0.792364776134491} 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=0.4883851408958435} 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=0.4583721160888672} 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=0.45889216661453247} 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=0.5897974371910095} 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=0.47073233127593994} 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=0.37130147218704224} 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=0.4750472903251648} 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=0.5751712322235107} 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=0.683960497379303} 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=0.5653483867645264} 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=0.4333093464374542} 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=0.4748903810977936} 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=0.498318076133728} 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=0.5692757964134216} 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=0.5925655364990234} 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=0.6987974643707275} 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=0.7840828895568848} 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=0.7450992465019226} 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=0.7276957631111145} 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=0.6554702520370483} 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=0.7096381783485413} 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=81,590 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=0.5030259490013123} 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=0.660815417766571} 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=0.5840497612953186} 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=0.5749348402023315} 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=0.49666285514831543} 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=0.5448539853096008} 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=0.6564555168151855} 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=0.7353154420852661} 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=0.680155873298645} 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=0.7169783115386963} 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=0.5673164129257202} 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=0.5287578701972961} 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=0.5546619296073914} 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=0.6405161023139954} 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=0.5140514373779297} 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=0.4491288661956787} 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=0.575529158115387} 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=0.6663916707038879} 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=0.7822620272636414} 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=0.6355177164077759} 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=0.3681969940662384} 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=0.40097489953041077} 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=0.39221546053886414} 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=0.44683220982551575} 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=0.45773574709892273} 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=0.5613145232200623} 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=0.6499893069267273} 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=0.6076850295066833} 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=0.6626378893852234} 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=0.5716477036476135} 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=0.6066747307777405} 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=83,590 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=0.42518115043640137} 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=0.7106509804725647} 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=0.6270582675933838} 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=0.6427394151687622} 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=0.5878111720085144} 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=0.6509146094322205} 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=0.7546826004981995} 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=0.8414896726608276} 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=0.7463859915733337} 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=0.7977380156517029} 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=0.7016836404800415} 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=0.6636209487915039} 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=0.6791272163391113} 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=0.7747547030448914} 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=0.5852016806602478} 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=0.5251750349998474} 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=0.6519492864608765} 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=0.7188921570777893} 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=0.8348329067230225} 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=0.6661552786827087} 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=0.42556920647621155} 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=0.477904736995697} 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=0.44439736008644104} 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=0.4543248414993286} 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=0.4393700361251831} 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=0.515354335308075} 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=0.6016994118690491} 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=0.5452898740768433} 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=0.5641710758209229} 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=0.4594290852546692} 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=0.5039883255958557} 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=84,590 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=0.3194636404514313} 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=0.6716910600662231} 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=0.5713930726051331} 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=0.6032627820968628} 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=0.5781124234199524} 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=0.6543377041816711} 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=0.7429090738296509} 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=0.8408096432685852} 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=0.6972789764404297} 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=0.7621508836746216} 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=0.7993284463882446} 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=0.7566298842430115} 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=0.7882143259048462} 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=0.8517116904258728} 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=0.6684152483940125} 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=0.6336818933486938} 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=0.7705087661743164} 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=0.8325706720352173} 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=0.951357901096344} 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=0.7681983709335327} 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=0.4334825575351715} 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=0.4717487394809723} 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=0.4009949862957001} 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=0.3724633753299713} 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=0.327600359916687} 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=0.3835701048374176} 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=0.4734238088130951} 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=0.40682312846183777} 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=0.8340857625007629} 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=0.7490453720092773} 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=0.7522912621498108} 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=86,590 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=0.6119616031646729} 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=0.8905701041221619} 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=0.8305865526199341} 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=0.840754508972168} 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=0.7631474733352661} 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=0.8114715218544006} 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=0.9269519448280334} 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=0.9975895285606384} 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=0.9513727426528931} 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=0.9914444088935852} 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=0.7043337821960449} 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=0.6798242926597595} 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=0.649070143699646} 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=0.8154760003089905} 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=0.5786440372467041} 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=0.4714941680431366} 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=0.5553250312805176} 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=0.603242814540863} 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=0.7035395503044128} 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=0.561893880367279} 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=0.5737917423248291} 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=0.6506557464599609} 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=0.6540802121162415} 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=0.677808940410614} 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=0.6762543320655823} 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=0.7482271194458008} 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=0.8264477252960205} 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=0.7710998058319092} 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=0.722584068775177} 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=0.6265859007835388} 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=0.6319659352302551} 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=88,590 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=0.49149349331855774} 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=0.8263533115386963} 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=0.7532628774642944} 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=0.7753212451934814} 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=0.7163525223731995} 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=0.7773705720901489} 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=0.8852134943008423} 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=0.9670998454093933} 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=0.882206916809082} 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=0.933173656463623} 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=0.7609344124794006} 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=0.7287756204605103} 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=0.7192571759223938} 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=0.8526136875152588} 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=0.6147701144218445} 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=0.5349056124687195} 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=0.6430685520172119} 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=0.6904876828193665} 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=0.7990514636039734} 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=0.6323718428611755} 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=0.5274791717529297} 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=0.599891722202301} 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=0.5785033106803894} 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=0.580222487449646} 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=0.5632504224777222} 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=0.6232262849807739} 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=0.7020905017852783} 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=0.6406059265136719} WEIGHT279A weight value for a given contact, by default is 1=0.0035842293906810036 LABELa label for the action so that its output can be referenced in the input to other actions=qtyr SUM calculate the sum of all the contacts in the input NOPBC ignore the periodic boundary conditions when calculating distances ... CONTACTMAP
ALPHABETAMeasures a distance including pbc between the instantaneous values of a set of torsional angles and set of reference values. This action is a shortcut. More details ... ATOMS1the atoms involved for each of the torsions you wish to calculate=16,18,20,23 REFERENCE1the reference values for each of the torsional angles=1.8913875818252563 ATOMS2the atoms involved for each of the torsions you wish to calculate=18,20,23,25 REFERENCE2the reference values for each of the torsional angles=-0.8886736035346985 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=-1.1935278177261353 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=-0.6273089647293091 ATOMS5the atoms involved for each of the torsions you wish to calculate=35,37,39,50 REFERENCE5the reference values for each of the torsional angles=-1.1674542427062988 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=-0.7660514712333679 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=-1.048201322555542 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=-0.7810516953468323 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=-1.1226352453231812 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=-0.7955121994018555 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=-1.1006927490234375 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=-0.6953843832015991 ATOMS13the atoms involved for each of the torsions you wish to calculate=105,107,109,117 REFERENCE13the reference values for each of the torsional angles=-1.0538326501846313 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=-0.9149022698402405 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=-1.1459203958511353 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=-0.7590166926383972 LABELa label for the action so that its output can be referenced in the input to other actions=ab ... ALPHABETA
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_cry_c36m