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

Click on the labels of the actions for more information on what each action computes
tested onv2.8
tested onmaster
RESTART
Activate restart. More details

MOLINFO
This command is used to provide information on the molecules that are present in your system. More details
STRUCTURE
a file in pdb format containing a reference structure
=../topologies/cry_disp.pdb prot:
GROUP
Define 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
ATOMS
the numerical indexes for the set of atoms in the group
=1-3436
WHOLEMOLECULES
This action is used to rebuild molecules that can become split by the periodic boundary conditions. More details
ENTITY0
the atoms that make up a molecule that you wish to align
=prot
CONTACTMAP
Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details
...
ATOMS1
the atoms involved in each of the contacts you wish to calculate
=5,2614
SWITCH1
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5906647443771362}
WEIGHT1
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS2
the atoms involved in each of the contacts you wish to calculate
=7,2614
SWITCH2
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5185102820396423}
WEIGHT2
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS3
the atoms involved in each of the contacts you wish to calculate
=7,2615
SWITCH3
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.593129575252533}
WEIGHT3
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS4
the atoms involved in each of the contacts you wish to calculate
=10,2611
SWITCH4
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.586646318435669}
WEIGHT4
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS5
the atoms involved in each of the contacts you wish to calculate
=10,2614
SWITCH5
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.456674724817276}
WEIGHT5
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS6
the atoms involved in each of the contacts you wish to calculate
=10,2615
SWITCH6
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49712154269218445}
WEIGHT6
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS7
the atoms involved in each of the contacts you wish to calculate
=13,2614
SWITCH7
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613436460494995}
WEIGHT7
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS8
the atoms involved in each of the contacts you wish to calculate
=13,2615
SWITCH8
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452181339263916}
WEIGHT8
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS9
the atoms involved in each of the contacts you wish to calculate
=14,2562
SWITCH9
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5097001194953918}
WEIGHT9
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS10
the atoms involved in each of the contacts you wish to calculate
=14,2611
SWITCH10
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5882064700126648}
WEIGHT10
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS11
the atoms involved in each of the contacts you wish to calculate
=14,2614
SWITCH11
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4207860827445984}
WEIGHT11
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS12
the atoms involved in each of the contacts you wish to calculate
=14,2615
SWITCH12
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4133533835411072}
WEIGHT12
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS13
the atoms involved in each of the contacts you wish to calculate
=15,2614
SWITCH13
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5561921000480652}
WEIGHT13
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS14
the atoms involved in each of the contacts you wish to calculate
=15,2615
SWITCH14
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5145383477210999}
WEIGHT14
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS15
the atoms involved in each of the contacts you wish to calculate
=16,2614
SWITCH15
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5202739238739014}
WEIGHT15
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS16
the atoms involved in each of the contacts you wish to calculate
=17,2678
SWITCH16
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5749780535697937}
WEIGHT16
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS17
the atoms involved in each of the contacts you wish to calculate
=17,2679
SWITCH17
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5931851267814636}
WEIGHT17
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS18
the atoms involved in each of the contacts you wish to calculate
=17,2680
SWITCH18
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5596337914466858}
WEIGHT18
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS19
the atoms involved in each of the contacts you wish to calculate
=18,2608
SWITCH19
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5085017085075378}
WEIGHT19
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS20
the atoms involved in each of the contacts you wish to calculate
=18,2611
SWITCH20
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5004380345344543}
WEIGHT20
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS21
the atoms involved in each of the contacts you wish to calculate
=18,2614
SWITCH21
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41073325276374817}
WEIGHT21
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS22
the atoms involved in each of the contacts you wish to calculate
=18,2615
SWITCH22
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.555889904499054}
WEIGHT22
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS23
the atoms involved in each of the contacts you wish to calculate
=20,71
SWITCH23
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5953109860420227}
WEIGHT23
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS24
the atoms involved in each of the contacts you wish to calculate
=20,2606
SWITCH24
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5293876528739929}
WEIGHT24
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS25
the atoms involved in each of the contacts you wish to calculate
=20,2608
SWITCH25
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3991015553474426}
WEIGHT25
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS26
the atoms involved in each of the contacts you wish to calculate
=20,2611
SWITCH26
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4267391562461853}
WEIGHT26
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS27
the atoms involved in each of the contacts you wish to calculate
=20,2614
SWITCH27
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.384861022233963}
WEIGHT27
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS28
the atoms involved in each of the contacts you wish to calculate
=20,2615
SWITCH28
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.55092453956604}
WEIGHT28
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS29
the atoms involved in each of the contacts you wish to calculate
=20,2619
SWITCH29
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.567723274230957}
WEIGHT29
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS30
the atoms involved in each of the contacts you wish to calculate
=20,2620
SWITCH30
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5740474462509155}
WEIGHT30
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS31
the atoms involved in each of the contacts you wish to calculate
=20,2675
SWITCH31
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5158069133758545}
WEIGHT31
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS32
the atoms involved in each of the contacts you wish to calculate
=20,2678
SWITCH32
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5013919472694397}
WEIGHT32
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS33
the atoms involved in each of the contacts you wish to calculate
=20,2679
SWITCH33
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5244279503822327}
WEIGHT33
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS34
the atoms involved in each of the contacts you wish to calculate
=20,2680
SWITCH34
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442516803741455}
WEIGHT34
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS35
the atoms involved in each of the contacts you wish to calculate
=23,71
SWITCH35
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4722512364387512}
WEIGHT35
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS36
the atoms involved in each of the contacts you wish to calculate
=23,73
SWITCH36
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677766799926758}
WEIGHT36
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS37
the atoms involved in each of the contacts you wish to calculate
=23,75
SWITCH37
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5222311019897461}
WEIGHT37
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS38
the atoms involved in each of the contacts you wish to calculate
=23,2606
SWITCH38
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5827943682670593}
WEIGHT38
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS39
the atoms involved in each of the contacts you wish to calculate
=23,2608
SWITCH39
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46802353858947754}
WEIGHT39
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS40
the atoms involved in each of the contacts you wish to calculate
=23,2611
SWITCH40
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5313400626182556}
WEIGHT40
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS41
the atoms involved in each of the contacts you wish to calculate
=23,2614
SWITCH41
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49840518832206726}
WEIGHT41
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS42
the atoms involved in each of the contacts you wish to calculate
=23,2619
SWITCH42
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5852264165878296}
WEIGHT42
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS43
the atoms involved in each of the contacts you wish to calculate
=23,2620
SWITCH43
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.586176335811615}
WEIGHT43
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS44
the atoms involved in each of the contacts you wish to calculate
=23,2672
SWITCH44
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5724631547927856}
WEIGHT44
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS45
the atoms involved in each of the contacts you wish to calculate
=23,2675
SWITCH45
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4418203830718994}
WEIGHT45
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS46
the atoms involved in each of the contacts you wish to calculate
=23,2678
SWITCH46
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44946226477622986}
WEIGHT46
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS47
the atoms involved in each of the contacts you wish to calculate
=23,2679
SWITCH47
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5072013139724731}
WEIGHT47
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS48
the atoms involved in each of the contacts you wish to calculate
=23,2680
SWITCH48
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4773576855659485}
WEIGHT48
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS49
the atoms involved in each of the contacts you wish to calculate
=24,71
SWITCH49
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36075639724731445}
WEIGHT49
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS50
the atoms involved in each of the contacts you wish to calculate
=24,73
SWITCH50
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4602675437927246}
WEIGHT50
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS51
the atoms involved in each of the contacts you wish to calculate
=24,75
SWITCH51
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4309259355068207}
WEIGHT51
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS52
the atoms involved in each of the contacts you wish to calculate
=24,78
SWITCH52
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5696892142295837}
WEIGHT52
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS53
the atoms involved in each of the contacts you wish to calculate
=24,90
SWITCH53
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5759915709495544}
WEIGHT53
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS54
the atoms involved in each of the contacts you wish to calculate
=24,92
SWITCH54
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5737916827201843}
WEIGHT54
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS55
the atoms involved in each of the contacts you wish to calculate
=24,2606
SWITCH55
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5465536713600159}
WEIGHT55
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS56
the atoms involved in each of the contacts you wish to calculate
=24,2608
SWITCH56
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4407060742378235}
WEIGHT56
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS57
the atoms involved in each of the contacts you wish to calculate
=24,2611
SWITCH57
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5248677134513855}
WEIGHT57
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS58
the atoms involved in each of the contacts you wish to calculate
=24,2614
SWITCH58
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5014955401420593}
WEIGHT58
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS59
the atoms involved in each of the contacts you wish to calculate
=24,2619
SWITCH59
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5348827242851257}
WEIGHT59
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS60
the atoms involved in each of the contacts you wish to calculate
=24,2620
SWITCH60
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5512351393699646}
WEIGHT60
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS61
the atoms involved in each of the contacts you wish to calculate
=24,2621
SWITCH61
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5498201847076416}
WEIGHT61
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS62
the atoms involved in each of the contacts you wish to calculate
=24,2623
SWITCH62
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5609894394874573}
WEIGHT62
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS63
the atoms involved in each of the contacts you wish to calculate
=24,2627
SWITCH63
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5207704305648804}
WEIGHT63
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS64
the atoms involved in each of the contacts you wish to calculate
=24,2672
SWITCH64
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5424293279647827}
WEIGHT64
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS65
the atoms involved in each of the contacts you wish to calculate
=24,2675
SWITCH65
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42329293489456177}
WEIGHT65
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS66
the atoms involved in each of the contacts you wish to calculate
=24,2678
SWITCH66
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47217997908592224}
WEIGHT66
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS67
the atoms involved in each of the contacts you wish to calculate
=24,2679
SWITCH67
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5396524667739868}
WEIGHT67
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS68
the atoms involved in each of the contacts you wish to calculate
=24,2680
SWITCH68
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.515897274017334}
WEIGHT68
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS69
the atoms involved in each of the contacts you wish to calculate
=25,2608
SWITCH69
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5896017551422119}
WEIGHT69
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS70
the atoms involved in each of the contacts you wish to calculate
=25,2672
SWITCH70
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5636327862739563}
WEIGHT70
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS71
the atoms involved in each of the contacts you wish to calculate
=25,2675
SWITCH71
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4471566081047058}
WEIGHT71
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS72
the atoms involved in each of the contacts you wish to calculate
=25,2678
SWITCH72
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42888006567955017}
WEIGHT72
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS73
the atoms involved in each of the contacts you wish to calculate
=25,2679
SWITCH73
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5004608631134033}
WEIGHT73
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS74
the atoms involved in each of the contacts you wish to calculate
=25,2680
SWITCH74
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4185190498828888}
WEIGHT74
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS75
the atoms involved in each of the contacts you wish to calculate
=27,92
SWITCH75
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5413738489151001}
WEIGHT75
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS76
the atoms involved in each of the contacts you wish to calculate
=27,99
SWITCH76
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550334453582764}
WEIGHT76
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS77
the atoms involved in each of the contacts you wish to calculate
=27,2672
SWITCH77
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.516051173210144}
WEIGHT77
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS78
the atoms involved in each of the contacts you wish to calculate
=27,2675
SWITCH78
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4324117600917816}
WEIGHT78
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS79
the atoms involved in each of the contacts you wish to calculate
=27,2678
SWITCH79
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4340057075023651}
WEIGHT79
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS80
the atoms involved in each of the contacts you wish to calculate
=27,2679
SWITCH80
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321541428565979}
WEIGHT80
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS81
the atoms involved in each of the contacts you wish to calculate
=27,2680
SWITCH81
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4001438617706299}
WEIGHT81
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS82
the atoms involved in each of the contacts you wish to calculate
=27,2760
SWITCH82
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5404572486877441}
WEIGHT82
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS83
the atoms involved in each of the contacts you wish to calculate
=29,99
SWITCH83
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5563212037086487}
WEIGHT83
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS84
the atoms involved in each of the contacts you wish to calculate
=29,2672
SWITCH84
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650114417076111}
WEIGHT84
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS85
the atoms involved in each of the contacts you wish to calculate
=29,2675
SWITCH85
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5007882118225098}
WEIGHT85
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS86
the atoms involved in each of the contacts you wish to calculate
=29,2678
SWITCH86
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46722137928009033}
WEIGHT86
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS87
the atoms involved in each of the contacts you wish to calculate
=29,2679
SWITCH87
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5638341307640076}
WEIGHT87
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS88
the atoms involved in each of the contacts you wish to calculate
=29,2680
SWITCH88
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3904639184474945}
WEIGHT88
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS89
the atoms involved in each of the contacts you wish to calculate
=29,2757
SWITCH89
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5927574038505554}
WEIGHT89
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS90
the atoms involved in each of the contacts you wish to calculate
=29,2760
SWITCH90
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49213939905166626}
WEIGHT90
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS91
the atoms involved in each of the contacts you wish to calculate
=32,99
SWITCH91
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5191494226455688}
WEIGHT91
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS92
the atoms involved in each of the contacts you wish to calculate
=32,102
SWITCH92
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5889125466346741}
WEIGHT92
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS93
the atoms involved in each of the contacts you wish to calculate
=32,2672
SWITCH93
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5022460222244263}
WEIGHT93
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS94
the atoms involved in each of the contacts you wish to calculate
=32,2675
SWITCH94
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47684159874916077}
WEIGHT94
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS95
the atoms involved in each of the contacts you wish to calculate
=32,2678
SWITCH95
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4437395930290222}
WEIGHT95
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS96
the atoms involved in each of the contacts you wish to calculate
=32,2679
SWITCH96
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.550187349319458}
WEIGHT96
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS97
the atoms involved in each of the contacts you wish to calculate
=32,2680
SWITCH97
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34333813190460205}
WEIGHT97
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS98
the atoms involved in each of the contacts you wish to calculate
=32,2754
SWITCH98
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5969977378845215}
WEIGHT98
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS99
the atoms involved in each of the contacts you wish to calculate
=32,2757
SWITCH99
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4662296772003174}
WEIGHT99
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS100
the atoms involved in each of the contacts you wish to calculate
=32,2760
SWITCH100
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35084468126296997}
WEIGHT100
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS101
the atoms involved in each of the contacts you wish to calculate
=33,92
SWITCH101
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5789807438850403}
WEIGHT101
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS102
the atoms involved in each of the contacts you wish to calculate
=33,99
SWITCH102
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.513350784778595}
WEIGHT102
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS103
the atoms involved in each of the contacts you wish to calculate
=33,102
SWITCH103
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5722209811210632}
WEIGHT103
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS104
the atoms involved in each of the contacts you wish to calculate
=33,2668
SWITCH104
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5915659666061401}
WEIGHT104
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS105
the atoms involved in each of the contacts you wish to calculate
=33,2670
SWITCH105
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4922378659248352}
WEIGHT105
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS106
the atoms involved in each of the contacts you wish to calculate
=33,2672
SWITCH106
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3836851418018341}
WEIGHT106
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS107
the atoms involved in each of the contacts you wish to calculate
=33,2675
SWITCH107
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.377132773399353}
WEIGHT107
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS108
the atoms involved in each of the contacts you wish to calculate
=33,2678
SWITCH108
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36823368072509766}
WEIGHT108
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS109
the atoms involved in each of the contacts you wish to calculate
=33,2679
SWITCH109
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4850786626338959}
WEIGHT109
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS110
the atoms involved in each of the contacts you wish to calculate
=33,2680
SWITCH110
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.28270500898361206}
WEIGHT110
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS111
the atoms involved in each of the contacts you wish to calculate
=33,2683
SWITCH111
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5811462998390198}
WEIGHT111
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS112
the atoms involved in each of the contacts you wish to calculate
=33,2684
SWITCH112
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5934146046638489}
WEIGHT112
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS113
the atoms involved in each of the contacts you wish to calculate
=33,2751
SWITCH113
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5508733987808228}
WEIGHT113
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS114
the atoms involved in each of the contacts you wish to calculate
=33,2754
SWITCH114
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5102052688598633}
WEIGHT114
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS115
the atoms involved in each of the contacts you wish to calculate
=33,2757
SWITCH115
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3786570429801941}
WEIGHT115
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS116
the atoms involved in each of the contacts you wish to calculate
=33,2760
SWITCH116
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2831907868385315}
WEIGHT116
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS117
the atoms involved in each of the contacts you wish to calculate
=34,99
SWITCH117
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5657216906547546}
WEIGHT117
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS118
the atoms involved in each of the contacts you wish to calculate
=34,2672
SWITCH118
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.587437093257904}
WEIGHT118
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS119
the atoms involved in each of the contacts you wish to calculate
=34,2675
SWITCH119
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5748348236083984}
WEIGHT119
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS120
the atoms involved in each of the contacts you wish to calculate
=34,2678
SWITCH120
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5223351120948792}
WEIGHT120
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS121
the atoms involved in each of the contacts you wish to calculate
=34,2680
SWITCH121
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40363872051239014}
WEIGHT121
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS122
the atoms involved in each of the contacts you wish to calculate
=34,2757
SWITCH122
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49774396419525146}
WEIGHT122
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS123
the atoms involved in each of the contacts you wish to calculate
=34,2760
SWITCH123
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3613321781158447}
WEIGHT123
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS124
the atoms involved in each of the contacts you wish to calculate
=35,92
SWITCH124
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4354642629623413}
WEIGHT124
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS125
the atoms involved in each of the contacts you wish to calculate
=35,94
SWITCH125
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5330639481544495}
WEIGHT125
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS126
the atoms involved in each of the contacts you wish to calculate
=35,96
SWITCH126
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5001931190490723}
WEIGHT126
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS127
the atoms involved in each of the contacts you wish to calculate
=35,99
SWITCH127
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46458980441093445}
WEIGHT127
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS128
the atoms involved in each of the contacts you wish to calculate
=35,102
SWITCH128
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5992807745933533}
WEIGHT128
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS129
the atoms involved in each of the contacts you wish to calculate
=35,107
SWITCH129
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5969147086143494}
WEIGHT129
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS130
the atoms involved in each of the contacts you wish to calculate
=35,2675
SWITCH130
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5383909344673157}
WEIGHT130
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS131
the atoms involved in each of the contacts you wish to calculate
=35,2678
SWITCH131
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681493878364563}
WEIGHT131
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS132
the atoms involved in each of the contacts you wish to calculate
=35,2680
SWITCH132
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5403276681900024}
WEIGHT132
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS133
the atoms involved in each of the contacts you wish to calculate
=35,2760
SWITCH133
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5831187963485718}
WEIGHT133
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS134
the atoms involved in each of the contacts you wish to calculate
=36,92
SWITCH134
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3130080997943878}
WEIGHT134
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS135
the atoms involved in each of the contacts you wish to calculate
=36,94
SWITCH135
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4137173295021057}
WEIGHT135
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS136
the atoms involved in each of the contacts you wish to calculate
=36,96
SWITCH136
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39495566487312317}
WEIGHT136
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS137
the atoms involved in each of the contacts you wish to calculate
=36,99
SWITCH137
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37117165327072144}
WEIGHT137
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS138
the atoms involved in each of the contacts you wish to calculate
=36,102
SWITCH138
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5072535872459412}
WEIGHT138
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS139
the atoms involved in each of the contacts you wish to calculate
=36,103
SWITCH139
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5630761384963989}
WEIGHT139
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS140
the atoms involved in each of the contacts you wish to calculate
=36,104
SWITCH140
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5923940539360046}
WEIGHT140
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS141
the atoms involved in each of the contacts you wish to calculate
=36,105
SWITCH141
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5115256309509277}
WEIGHT141
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS142
the atoms involved in each of the contacts you wish to calculate
=36,107
SWITCH142
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4952453672885895}
WEIGHT142
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS143
the atoms involved in each of the contacts you wish to calculate
=36,2672
SWITCH143
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5923876762390137}
WEIGHT143
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS144
the atoms involved in each of the contacts you wish to calculate
=36,2675
SWITCH144
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5485928654670715}
WEIGHT144
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS145
the atoms involved in each of the contacts you wish to calculate
=36,2680
SWITCH145
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.583881139755249}
WEIGHT145
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS146
the atoms involved in each of the contacts you wish to calculate
=36,2757
SWITCH146
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5736783146858215}
WEIGHT146
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS147
the atoms involved in each of the contacts you wish to calculate
=36,2760
SWITCH147
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5473650693893433}
WEIGHT147
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS148
the atoms involved in each of the contacts you wish to calculate
=39,107
SWITCH148
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5196257829666138}
WEIGHT148
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS149
the atoms involved in each of the contacts you wish to calculate
=39,111
SWITCH149
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5673843622207642}
WEIGHT149
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS150
the atoms involved in each of the contacts you wish to calculate
=50,107
SWITCH150
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40717196464538574}
WEIGHT150
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS151
the atoms involved in each of the contacts you wish to calculate
=50,109
SWITCH151
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4873991310596466}
WEIGHT151
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS152
the atoms involved in each of the contacts you wish to calculate
=50,111
SWITCH152
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4420057237148285}
WEIGHT152
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS153
the atoms involved in each of the contacts you wish to calculate
=50,114
SWITCH153
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5708449482917786}
WEIGHT153
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS154
the atoms involved in each of the contacts you wish to calculate
=51,107
SWITCH154
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2938857972621918}
WEIGHT154
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS155
the atoms involved in each of the contacts you wish to calculate
=51,109
SWITCH155
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37061816453933716}
WEIGHT155
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS156
the atoms involved in each of the contacts you wish to calculate
=51,111
SWITCH156
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3372995853424072}
WEIGHT156
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS157
the atoms involved in each of the contacts you wish to calculate
=51,114
SWITCH157
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4706655740737915}
WEIGHT157
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS158
the atoms involved in each of the contacts you wish to calculate
=51,115
SWITCH158
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488508939743042}
WEIGHT158
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS159
the atoms involved in each of the contacts you wish to calculate
=51,116
SWITCH159
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5303713083267212}
WEIGHT159
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS160
the atoms involved in each of the contacts you wish to calculate
=51,117
SWITCH160
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49742230772972107}
WEIGHT160
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS161
the atoms involved in each of the contacts you wish to calculate
=51,119
SWITCH161
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5170280337333679}
WEIGHT161
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS162
the atoms involved in each of the contacts you wish to calculate
=51,2491
SWITCH162
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5902647972106934}
WEIGHT162
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS163
the atoms involved in each of the contacts you wish to calculate
=52,2491
SWITCH163
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.570267915725708}
WEIGHT163
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS164
the atoms involved in each of the contacts you wish to calculate
=52,2627
SWITCH164
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5942329168319702}
WEIGHT164
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS165
the atoms involved in each of the contacts you wish to calculate
=54,119
SWITCH165
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5332401394844055}
WEIGHT165
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS166
the atoms involved in each of the contacts you wish to calculate
=54,123
SWITCH166
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5982155799865723}
WEIGHT166
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS167
the atoms involved in each of the contacts you wish to calculate
=54,2489
SWITCH167
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5041608810424805}
WEIGHT167
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS168
the atoms involved in each of the contacts you wish to calculate
=54,2491
SWITCH168
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44624415040016174}
WEIGHT168
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS169
the atoms involved in each of the contacts you wish to calculate
=54,2493
SWITCH169
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.505925178527832}
WEIGHT169
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS170
the atoms involved in each of the contacts you wish to calculate
=54,2627
SWITCH170
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5035719275474548}
WEIGHT170
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS171
the atoms involved in each of the contacts you wish to calculate
=56,2484
SWITCH171
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5807527899742126}
WEIGHT171
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS172
the atoms involved in each of the contacts you wish to calculate
=56,2489
SWITCH172
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5446047782897949}
WEIGHT172
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS173
the atoms involved in each of the contacts you wish to calculate
=56,2491
SWITCH173
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46060168743133545}
WEIGHT173
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS174
the atoms involved in each of the contacts you wish to calculate
=56,2493
SWITCH174
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47651466727256775}
WEIGHT174
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS175
the atoms involved in each of the contacts you wish to calculate
=56,2556
SWITCH175
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5607534050941467}
WEIGHT175
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS176
the atoms involved in each of the contacts you wish to calculate
=56,2558
SWITCH176
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5088067054748535}
WEIGHT176
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS177
the atoms involved in each of the contacts you wish to calculate
=56,2561
SWITCH177
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793740153312683}
WEIGHT177
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS178
the atoms involved in each of the contacts you wish to calculate
=56,2562
SWITCH178
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5907469987869263}
WEIGHT178
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS179
the atoms involved in each of the contacts you wish to calculate
=56,2564
SWITCH179
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5451614260673523}
WEIGHT179
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS180
the atoms involved in each of the contacts you wish to calculate
=56,2565
SWITCH180
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5082892775535583}
WEIGHT180
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS181
the atoms involved in each of the contacts you wish to calculate
=56,2608
SWITCH181
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5343676209449768}
WEIGHT181
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS182
the atoms involved in each of the contacts you wish to calculate
=56,2611
SWITCH182
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5906954407691956}
WEIGHT182
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS183
the atoms involved in each of the contacts you wish to calculate
=56,2614
SWITCH183
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5247218012809753}
WEIGHT183
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS184
the atoms involved in each of the contacts you wish to calculate
=56,2625
SWITCH184
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5954309701919556}
WEIGHT184
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS185
the atoms involved in each of the contacts you wish to calculate
=56,2627
SWITCH185
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452328085899353}
WEIGHT185
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS186
the atoms involved in each of the contacts you wish to calculate
=58,123
SWITCH186
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5879328846931458}
WEIGHT186
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS187
the atoms involved in each of the contacts you wish to calculate
=58,2481
SWITCH187
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321964621543884}
WEIGHT187
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS188
the atoms involved in each of the contacts you wish to calculate
=58,2484
SWITCH188
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4766978323459625}
WEIGHT188
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS189
the atoms involved in each of the contacts you wish to calculate
=58,2485
SWITCH189
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.551134467124939}
WEIGHT189
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS190
the atoms involved in each of the contacts you wish to calculate
=58,2487
SWITCH190
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.549913763999939}
WEIGHT190
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS191
the atoms involved in each of the contacts you wish to calculate
=58,2489
SWITCH191
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48523950576782227}
WEIGHT191
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS192
the atoms involved in each of the contacts you wish to calculate
=58,2491
SWITCH192
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40989378094673157}
WEIGHT192
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS193
the atoms involved in each of the contacts you wish to calculate
=58,2493
SWITCH193
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39925074577331543}
WEIGHT193
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS194
the atoms involved in each of the contacts you wish to calculate
=58,2556
SWITCH194
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4958239793777466}
WEIGHT194
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS195
the atoms involved in each of the contacts you wish to calculate
=58,2558
SWITCH195
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4450991153717041}
WEIGHT195
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS196
the atoms involved in each of the contacts you wish to calculate
=58,2561
SWITCH196
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5452660918235779}
WEIGHT196
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS197
the atoms involved in each of the contacts you wish to calculate
=58,2562
SWITCH197
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5861696600914001}
WEIGHT197
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS198
the atoms involved in each of the contacts you wish to calculate
=58,2564
SWITCH198
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45119398832321167}
WEIGHT198
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS199
the atoms involved in each of the contacts you wish to calculate
=58,2565
SWITCH199
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4243546724319458}
WEIGHT199
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS200
the atoms involved in each of the contacts you wish to calculate
=58,2566
SWITCH200
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5097145438194275}
WEIGHT200
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS201
the atoms involved in each of the contacts you wish to calculate
=58,2568
SWITCH201
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5655313730239868}
WEIGHT201
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS202
the atoms involved in each of the contacts you wish to calculate
=58,2608
SWITCH202
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321520566940308}
WEIGHT202
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS203
the atoms involved in each of the contacts you wish to calculate
=58,2611
SWITCH203
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5979047417640686}
WEIGHT203
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS204
the atoms involved in each of the contacts you wish to calculate
=58,2614
SWITCH204
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5613822340965271}
WEIGHT204
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS205
the atoms involved in each of the contacts you wish to calculate
=58,2621
SWITCH205
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5451663732528687}
WEIGHT205
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS206
the atoms involved in each of the contacts you wish to calculate
=58,2623
SWITCH206
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5671552419662476}
WEIGHT206
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS207
the atoms involved in each of the contacts you wish to calculate
=58,2625
SWITCH207
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5086638927459717}
WEIGHT207
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS208
the atoms involved in each of the contacts you wish to calculate
=58,2627
SWITCH208
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36042720079421997}
WEIGHT208
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS209
the atoms involved in each of the contacts you wish to calculate
=58,2631
SWITCH209
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5572584867477417}
WEIGHT209
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS210
the atoms involved in each of the contacts you wish to calculate
=62,2491
SWITCH210
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4959251284599304}
WEIGHT210
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS211
the atoms involved in each of the contacts you wish to calculate
=62,2493
SWITCH211
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4925505816936493}
WEIGHT211
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS212
the atoms involved in each of the contacts you wish to calculate
=62,2556
SWITCH212
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099693536758423}
WEIGHT212
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS213
the atoms involved in each of the contacts you wish to calculate
=62,2558
SWITCH213
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4461304247379303}
WEIGHT213
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS214
the atoms involved in each of the contacts you wish to calculate
=62,2561
SWITCH214
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48229286074638367}
WEIGHT214
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS215
the atoms involved in each of the contacts you wish to calculate
=62,2562
SWITCH215
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4720786213874817}
WEIGHT215
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS216
the atoms involved in each of the contacts you wish to calculate
=62,2563
SWITCH216
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5577703714370728}
WEIGHT216
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS217
the atoms involved in each of the contacts you wish to calculate
=62,2564
SWITCH217
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5365828275680542}
WEIGHT217
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS218
the atoms involved in each of the contacts you wish to calculate
=62,2565
SWITCH218
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5174807906150818}
WEIGHT218
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS219
the atoms involved in each of the contacts you wish to calculate
=62,2608
SWITCH219
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5378225445747375}
WEIGHT219
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS220
the atoms involved in each of the contacts you wish to calculate
=62,2611
SWITCH220
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5543369650840759}
WEIGHT220
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS221
the atoms involved in each of the contacts you wish to calculate
=62,2614
SWITCH221
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44685274362564087}
WEIGHT221
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS222
the atoms involved in each of the contacts you wish to calculate
=62,2615
SWITCH222
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5792229175567627}
WEIGHT222
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS223
the atoms involved in each of the contacts you wish to calculate
=62,2627
SWITCH223
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5770829319953918}
WEIGHT223
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS224
the atoms involved in each of the contacts you wish to calculate
=65,2481
SWITCH224
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5823349952697754}
WEIGHT224
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS225
the atoms involved in each of the contacts you wish to calculate
=65,2484
SWITCH225
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5270158052444458}
WEIGHT225
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS226
the atoms involved in each of the contacts you wish to calculate
=65,2489
SWITCH226
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5300132632255554}
WEIGHT226
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS227
the atoms involved in each of the contacts you wish to calculate
=65,2491
SWITCH227
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4038487672805786}
WEIGHT227
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS228
the atoms involved in each of the contacts you wish to calculate
=65,2493
SWITCH228
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3975047171115875}
WEIGHT228
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS229
the atoms involved in each of the contacts you wish to calculate
=65,2556
SWITCH229
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5365263819694519}
WEIGHT229
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS230
the atoms involved in each of the contacts you wish to calculate
=65,2558
SWITCH230
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43273791670799255}
WEIGHT230
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS231
the atoms involved in each of the contacts you wish to calculate
=65,2561
SWITCH231
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4378633499145508}
WEIGHT231
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS232
the atoms involved in each of the contacts you wish to calculate
=65,2562
SWITCH232
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4420183002948761}
WEIGHT232
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS233
the atoms involved in each of the contacts you wish to calculate
=65,2563
SWITCH233
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4833071529865265}
WEIGHT233
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS234
the atoms involved in each of the contacts you wish to calculate
=65,2564
SWITCH234
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5817170143127441}
WEIGHT234
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS235
the atoms involved in each of the contacts you wish to calculate
=65,2565
SWITCH235
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5931829810142517}
WEIGHT235
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS236
the atoms involved in each of the contacts you wish to calculate
=65,2614
SWITCH236
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.54828941822052}
WEIGHT236
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS237
the atoms involved in each of the contacts you wish to calculate
=69,119
SWITCH237
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4360518753528595}
WEIGHT237
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS238
the atoms involved in each of the contacts you wish to calculate
=69,121
SWITCH238
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5199857950210571}
WEIGHT238
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS239
the atoms involved in each of the contacts you wish to calculate
=69,123
SWITCH239
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4815289378166199}
WEIGHT239
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS240
the atoms involved in each of the contacts you wish to calculate
=69,2487
SWITCH240
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5907658934593201}
WEIGHT240
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS241
the atoms involved in each of the contacts you wish to calculate
=69,2489
SWITCH241
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4980502426624298}
WEIGHT241
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS242
the atoms involved in each of the contacts you wish to calculate
=69,2491
SWITCH242
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.478290319442749}
WEIGHT242
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS243
the atoms involved in each of the contacts you wish to calculate
=69,2493
SWITCH243
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5465455651283264}
WEIGHT243
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS244
the atoms involved in each of the contacts you wish to calculate
=69,2625
SWITCH244
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5617954730987549}
WEIGHT244
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS245
the atoms involved in each of the contacts you wish to calculate
=69,2627
SWITCH245
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42400580644607544}
WEIGHT245
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS246
the atoms involved in each of the contacts you wish to calculate
=70,119
SWITCH246
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.32677388191223145}
WEIGHT246
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS247
the atoms involved in each of the contacts you wish to calculate
=70,121
SWITCH247
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4037042558193207}
WEIGHT247
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS248
the atoms involved in each of the contacts you wish to calculate
=70,123
SWITCH248
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36688151955604553}
WEIGHT248
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS249
the atoms involved in each of the contacts you wish to calculate
=70,126
SWITCH249
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5034090876579285}
WEIGHT249
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS250
the atoms involved in each of the contacts you wish to calculate
=70,128
SWITCH250
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5942509770393372}
WEIGHT250
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS251
the atoms involved in each of the contacts you wish to calculate
=70,132
SWITCH251
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5065158009529114}
WEIGHT251
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS252
the atoms involved in each of the contacts you wish to calculate
=70,136
SWITCH252
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5196980834007263}
WEIGHT252
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS253
the atoms involved in each of the contacts you wish to calculate
=70,138
SWITCH253
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5132380127906799}
WEIGHT253
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS254
the atoms involved in each of the contacts you wish to calculate
=70,2484
SWITCH254
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650851130485535}
WEIGHT254
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS255
the atoms involved in each of the contacts you wish to calculate
=70,2485
SWITCH255
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.567402720451355}
WEIGHT255
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS256
the atoms involved in each of the contacts you wish to calculate
=70,2487
SWITCH256
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48975709080696106}
WEIGHT256
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS257
the atoms involved in each of the contacts you wish to calculate
=70,2489
SWITCH257
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40472182631492615}
WEIGHT257
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS258
the atoms involved in each of the contacts you wish to calculate
=70,2491
SWITCH258
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41375279426574707}
WEIGHT258
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS259
the atoms involved in each of the contacts you wish to calculate
=70,2493
SWITCH259
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4953722655773163}
WEIGHT259
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS260
the atoms involved in each of the contacts you wish to calculate
=70,2625
SWITCH260
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5846248269081116}
WEIGHT260
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS261
the atoms involved in each of the contacts you wish to calculate
=70,2627
SWITCH261
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44657471776008606}
WEIGHT261
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS262
the atoms involved in each of the contacts you wish to calculate
=71,2623
SWITCH262
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610796809196472}
WEIGHT262
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS263
the atoms involved in each of the contacts you wish to calculate
=71,2625
SWITCH263
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5159304141998291}
WEIGHT263
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS264
the atoms involved in each of the contacts you wish to calculate
=71,2627
SWITCH264
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40010371804237366}
WEIGHT264
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS265
the atoms involved in each of the contacts you wish to calculate
=71,2672
SWITCH265
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5967335104942322}
WEIGHT265
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS266
the atoms involved in each of the contacts you wish to calculate
=71,2675
SWITCH266
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5588722825050354}
WEIGHT266
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS267
the atoms involved in each of the contacts you wish to calculate
=73,138
SWITCH267
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5169427990913391}
WEIGHT267
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS268
the atoms involved in each of the contacts you wish to calculate
=73,140
SWITCH268
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5928582549095154}
WEIGHT268
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS269
the atoms involved in each of the contacts you wish to calculate
=73,142
SWITCH269
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5453117489814758}
WEIGHT269
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS270
the atoms involved in each of the contacts you wish to calculate
=73,145
SWITCH270
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4934612214565277}
WEIGHT270
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS271
the atoms involved in each of the contacts you wish to calculate
=73,2623
SWITCH271
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5388705730438232}
WEIGHT271
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS272
the atoms involved in each of the contacts you wish to calculate
=73,2625
SWITCH272
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48216524720191956}
WEIGHT272
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS273
the atoms involved in each of the contacts you wish to calculate
=73,2627
SWITCH273
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.395525187253952}
WEIGHT273
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS274
the atoms involved in each of the contacts you wish to calculate
=73,2636
SWITCH274
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5975691080093384}
WEIGHT274
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS275
the atoms involved in each of the contacts you wish to calculate
=73,2672
SWITCH275
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441213250160217}
WEIGHT275
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS276
the atoms involved in each of the contacts you wish to calculate
=73,2675
SWITCH276
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5434494614601135}
WEIGHT276
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS277
the atoms involved in each of the contacts you wish to calculate
=73,2757
SWITCH277
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5853456854820251}
WEIGHT277
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS278
the atoms involved in each of the contacts you wish to calculate
=75,142
SWITCH278
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5923731327056885}
WEIGHT278
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS279
the atoms involved in each of the contacts you wish to calculate
=75,145
SWITCH279
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.538177490234375}
WEIGHT279
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS280
the atoms involved in each of the contacts you wish to calculate
=75,2621
SWITCH280
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5939504504203796}
WEIGHT280
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS281
the atoms involved in each of the contacts you wish to calculate
=75,2623
SWITCH281
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49890923500061035}
WEIGHT281
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS282
the atoms involved in each of the contacts you wish to calculate
=75,2625
SWITCH282
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4806707203388214}
WEIGHT282
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS283
the atoms involved in each of the contacts you wish to calculate
=75,2627
SWITCH283
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4315405786037445}
WEIGHT283
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS284
the atoms involved in each of the contacts you wish to calculate
=75,2635
SWITCH284
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650139451026917}
WEIGHT284
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS285
the atoms involved in each of the contacts you wish to calculate
=75,2636
SWITCH285
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5173834562301636}
WEIGHT285
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS286
the atoms involved in each of the contacts you wish to calculate
=75,2670
SWITCH286
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442600250244141}
WEIGHT286
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS287
the atoms involved in each of the contacts you wish to calculate
=75,2672
SWITCH287
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3985207974910736}
WEIGHT287
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS288
the atoms involved in each of the contacts you wish to calculate
=75,2675
SWITCH288
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41199761629104614}
WEIGHT288
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS289
the atoms involved in each of the contacts you wish to calculate
=75,2678
SWITCH289
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5404636859893799}
WEIGHT289
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS290
the atoms involved in each of the contacts you wish to calculate
=75,2680
SWITCH290
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5697199702262878}
WEIGHT290
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS291
the atoms involved in each of the contacts you wish to calculate
=75,2683
SWITCH291
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5866734385490417}
WEIGHT291
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS292
the atoms involved in each of the contacts you wish to calculate
=75,2685
SWITCH292
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5989571213722229}
WEIGHT292
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS293
the atoms involved in each of the contacts you wish to calculate
=75,2754
SWITCH293
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5846898555755615}
WEIGHT293
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS294
the atoms involved in each of the contacts you wish to calculate
=75,2757
SWITCH294
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4653022587299347}
WEIGHT294
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS295
the atoms involved in each of the contacts you wish to calculate
=75,2760
SWITCH295
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5174592137336731}
WEIGHT295
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS296
the atoms involved in each of the contacts you wish to calculate
=78,138
SWITCH296
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5944092273712158}
WEIGHT296
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS297
the atoms involved in each of the contacts you wish to calculate
=78,142
SWITCH297
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5096914172172546}
WEIGHT297
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS298
the atoms involved in each of the contacts you wish to calculate
=78,145
SWITCH298
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44586360454559326}
WEIGHT298
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS299
the atoms involved in each of the contacts you wish to calculate
=78,148
SWITCH299
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5882790088653564}
WEIGHT299
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS300
the atoms involved in each of the contacts you wish to calculate
=78,149
SWITCH300
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732671022415161}
WEIGHT300
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS301
the atoms involved in each of the contacts you wish to calculate
=78,2623
SWITCH301
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5147303938865662}
WEIGHT301
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS302
the atoms involved in each of the contacts you wish to calculate
=78,2625
SWITCH302
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48978909850120544}
WEIGHT302
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS303
the atoms involved in each of the contacts you wish to calculate
=78,2627
SWITCH303
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4794395864009857}
WEIGHT303
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS304
the atoms involved in each of the contacts you wish to calculate
=78,2635
SWITCH304
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5446043014526367}
WEIGHT304
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS305
the atoms involved in each of the contacts you wish to calculate
=78,2636
SWITCH305
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4694686532020569}
WEIGHT305
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS306
the atoms involved in each of the contacts you wish to calculate
=78,2668
SWITCH306
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5895166397094727}
WEIGHT306
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS307
the atoms involved in each of the contacts you wish to calculate
=78,2670
SWITCH307
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5071703791618347}
WEIGHT307
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS308
the atoms involved in each of the contacts you wish to calculate
=78,2672
SWITCH308
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38238435983657837}
WEIGHT308
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS309
the atoms involved in each of the contacts you wish to calculate
=78,2675
SWITCH309
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44780001044273376}
WEIGHT309
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS310
the atoms involved in each of the contacts you wish to calculate
=78,2678
SWITCH310
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822161436080933}
WEIGHT310
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS311
the atoms involved in each of the contacts you wish to calculate
=78,2683
SWITCH311
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5102418661117554}
WEIGHT311
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS312
the atoms involved in each of the contacts you wish to calculate
=78,2684
SWITCH312
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5579791069030762}
WEIGHT312
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS313
the atoms involved in each of the contacts you wish to calculate
=78,2685
SWITCH313
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.509981095790863}
WEIGHT313
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS314
the atoms involved in each of the contacts you wish to calculate
=78,2687
SWITCH314
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681637525558472}
WEIGHT314
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS315
the atoms involved in each of the contacts you wish to calculate
=78,2751
SWITCH315
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5078712701797485}
WEIGHT315
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS316
the atoms involved in each of the contacts you wish to calculate
=78,2754
SWITCH316
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49254167079925537}
WEIGHT316
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS317
the atoms involved in each of the contacts you wish to calculate
=78,2757
SWITCH317
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40187209844589233}
WEIGHT317
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS318
the atoms involved in each of the contacts you wish to calculate
=78,2760
SWITCH318
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49101224541664124}
WEIGHT318
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS319
the atoms involved in each of the contacts you wish to calculate
=79,142
SWITCH319
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5647750496864319}
WEIGHT319
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS320
the atoms involved in each of the contacts you wish to calculate
=79,145
SWITCH320
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47190043330192566}
WEIGHT320
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS321
the atoms involved in each of the contacts you wish to calculate
=79,148
SWITCH321
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5821287631988525}
WEIGHT321
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS322
the atoms involved in each of the contacts you wish to calculate
=79,149
SWITCH322
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.540130615234375}
WEIGHT322
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS323
the atoms involved in each of the contacts you wish to calculate
=79,656
SWITCH323
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750181674957275}
WEIGHT323
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS324
the atoms involved in each of the contacts you wish to calculate
=79,658
SWITCH324
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793154835700989}
WEIGHT324
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS325
the atoms involved in each of the contacts you wish to calculate
=79,2621
SWITCH325
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5699335932731628}
WEIGHT325
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS326
the atoms involved in each of the contacts you wish to calculate
=79,2623
SWITCH326
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43549710512161255}
WEIGHT326
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS327
the atoms involved in each of the contacts you wish to calculate
=79,2625
SWITCH327
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42063960433006287}
WEIGHT327
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS328
the atoms involved in each of the contacts you wish to calculate
=79,2627
SWITCH328
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45383113622665405}
WEIGHT328
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS329
the atoms involved in each of the contacts you wish to calculate
=79,2631
SWITCH329
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5564976930618286}
WEIGHT329
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS330
the atoms involved in each of the contacts you wish to calculate
=79,2635
SWITCH330
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4346681237220764}
WEIGHT330
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS331
the atoms involved in each of the contacts you wish to calculate
=79,2636
SWITCH331
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.345342218875885}
WEIGHT331
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS332
the atoms involved in each of the contacts you wish to calculate
=79,2637
SWITCH332
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5585058927536011}
WEIGHT332
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS333
the atoms involved in each of the contacts you wish to calculate
=79,2668
SWITCH333
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5056917667388916}
WEIGHT333
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS334
the atoms involved in each of the contacts you wish to calculate
=79,2670
SWITCH334
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43737632036209106}
WEIGHT334
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS335
the atoms involved in each of the contacts you wish to calculate
=79,2672
SWITCH335
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3410423994064331}
WEIGHT335
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS336
the atoms involved in each of the contacts you wish to calculate
=79,2675
SWITCH336
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4256419837474823}
WEIGHT336
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS337
the atoms involved in each of the contacts you wish to calculate
=79,2678
SWITCH337
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5683361291885376}
WEIGHT337
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS338
the atoms involved in each of the contacts you wish to calculate
=79,2683
SWITCH338
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42028674483299255}
WEIGHT338
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS339
the atoms involved in each of the contacts you wish to calculate
=79,2684
SWITCH339
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4826538860797882}
WEIGHT339
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS340
the atoms involved in each of the contacts you wish to calculate
=79,2685
SWITCH340
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3930025100708008}
WEIGHT340
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS341
the atoms involved in each of the contacts you wish to calculate
=79,2687
SWITCH341
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4459441602230072}
WEIGHT341
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS342
the atoms involved in each of the contacts you wish to calculate
=79,2689
SWITCH342
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48267608880996704}
WEIGHT342
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS343
the atoms involved in each of the contacts you wish to calculate
=79,2692
SWITCH343
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4962373971939087}
WEIGHT343
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS344
the atoms involved in each of the contacts you wish to calculate
=79,2707
SWITCH344
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5896116495132446}
WEIGHT344
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS345
the atoms involved in each of the contacts you wish to calculate
=79,2748
SWITCH345
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5747185349464417}
WEIGHT345
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS346
the atoms involved in each of the contacts you wish to calculate
=79,2751
SWITCH346
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49213916063308716}
WEIGHT346
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS347
the atoms involved in each of the contacts you wish to calculate
=79,2754
SWITCH347
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181862115859985}
WEIGHT347
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS348
the atoms involved in each of the contacts you wish to calculate
=79,2757
SWITCH348
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4578000009059906}
WEIGHT348
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS349
the atoms involved in each of the contacts you wish to calculate
=79,2760
SWITCH349
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5521382689476013}
WEIGHT349
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS350
the atoms involved in each of the contacts you wish to calculate
=81,142
SWITCH350
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5416521430015564}
WEIGHT350
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS351
the atoms involved in each of the contacts you wish to calculate
=81,145
SWITCH351
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4500156044960022}
WEIGHT351
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS352
the atoms involved in each of the contacts you wish to calculate
=81,148
SWITCH352
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5463861227035522}
WEIGHT352
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS353
the atoms involved in each of the contacts you wish to calculate
=81,149
SWITCH353
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5240314602851868}
WEIGHT353
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS354
the atoms involved in each of the contacts you wish to calculate
=81,588
SWITCH354
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.54373699426651}
WEIGHT354
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS355
the atoms involved in each of the contacts you wish to calculate
=81,655
SWITCH355
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5999292135238647}
WEIGHT355
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS356
the atoms involved in each of the contacts you wish to calculate
=81,656
SWITCH356
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5315840244293213}
WEIGHT356
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS357
the atoms involved in each of the contacts you wish to calculate
=81,658
SWITCH357
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545782208442688}
WEIGHT357
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS358
the atoms involved in each of the contacts you wish to calculate
=81,2623
SWITCH358
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294727683067322}
WEIGHT358
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS359
the atoms involved in each of the contacts you wish to calculate
=81,2625
SWITCH359
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.512668788433075}
WEIGHT359
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS360
the atoms involved in each of the contacts you wish to calculate
=81,2627
SWITCH360
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677062273025513}
WEIGHT360
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS361
the atoms involved in each of the contacts you wish to calculate
=81,2635
SWITCH361
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49387872219085693}
WEIGHT361
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS362
the atoms involved in each of the contacts you wish to calculate
=81,2636
SWITCH362
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38456884026527405}
WEIGHT362
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS363
the atoms involved in each of the contacts you wish to calculate
=81,2668
SWITCH363
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5414721965789795}
WEIGHT363
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS364
the atoms involved in each of the contacts you wish to calculate
=81,2670
SWITCH364
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613306224346161}
WEIGHT364
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS365
the atoms involved in each of the contacts you wish to calculate
=81,2672
SWITCH365
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40188300609588623}
WEIGHT365
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS366
the atoms involved in each of the contacts you wish to calculate
=81,2675
SWITCH366
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5175354480743408}
WEIGHT366
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS367
the atoms involved in each of the contacts you wish to calculate
=81,2683
SWITCH367
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3963698148727417}
WEIGHT367
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS368
the atoms involved in each of the contacts you wish to calculate
=81,2684
SWITCH368
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4353240430355072}
WEIGHT368
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS369
the atoms involved in each of the contacts you wish to calculate
=81,2685
SWITCH369
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35531818866729736}
WEIGHT369
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS370
the atoms involved in each of the contacts you wish to calculate
=81,2687
SWITCH370
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3645520508289337}
WEIGHT370
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS371
the atoms involved in each of the contacts you wish to calculate
=81,2689
SWITCH371
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40052488446235657}
WEIGHT371
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS372
the atoms involved in each of the contacts you wish to calculate
=81,2692
SWITCH372
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38619619607925415}
WEIGHT372
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS373
the atoms involved in each of the contacts you wish to calculate
=81,2695
SWITCH373
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5229702591896057}
WEIGHT373
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS374
the atoms involved in each of the contacts you wish to calculate
=81,2698
SWITCH374
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5706301927566528}
WEIGHT374
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS375
the atoms involved in each of the contacts you wish to calculate
=81,2700
SWITCH375
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5851844549179077}
WEIGHT375
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS376
the atoms involved in each of the contacts you wish to calculate
=81,2701
SWITCH376
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488705039024353}
WEIGHT376
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS377
the atoms involved in each of the contacts you wish to calculate
=81,2707
SWITCH377
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5017110705375671}
WEIGHT377
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS378
the atoms involved in each of the contacts you wish to calculate
=81,2708
SWITCH378
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5307138562202454}
WEIGHT378
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS379
the atoms involved in each of the contacts you wish to calculate
=81,2748
SWITCH379
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4757833778858185}
WEIGHT379
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS380
the atoms involved in each of the contacts you wish to calculate
=81,2751
SWITCH380
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4239305853843689}
WEIGHT380
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS381
the atoms involved in each of the contacts you wish to calculate
=81,2754
SWITCH381
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4678516983985901}
WEIGHT381
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS382
the atoms involved in each of the contacts you wish to calculate
=81,2757
SWITCH382
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44923606514930725}
WEIGHT382
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS383
the atoms involved in each of the contacts you wish to calculate
=81,2760
SWITCH383
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5654280781745911}
WEIGHT383
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS384
the atoms involved in each of the contacts you wish to calculate
=83,142
SWITCH384
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4665299952030182}
WEIGHT384
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS385
the atoms involved in each of the contacts you wish to calculate
=83,145
SWITCH385
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40642261505126953}
WEIGHT385
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS386
the atoms involved in each of the contacts you wish to calculate
=83,148
SWITCH386
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5204278230667114}
WEIGHT386
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS387
the atoms involved in each of the contacts you wish to calculate
=83,149
SWITCH387
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5454781651496887}
WEIGHT387
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS388
the atoms involved in each of the contacts you wish to calculate
=83,588
SWITCH388
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452443391084671}
WEIGHT388
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS389
the atoms involved in each of the contacts you wish to calculate
=83,2636
SWITCH389
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5242083668708801}
WEIGHT389
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS390
the atoms involved in each of the contacts you wish to calculate
=83,2670
SWITCH390
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467894673347473}
WEIGHT390
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS391
the atoms involved in each of the contacts you wish to calculate
=83,2672
SWITCH391
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4871581196784973}
WEIGHT391
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS392
the atoms involved in each of the contacts you wish to calculate
=83,2683
SWITCH392
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46871936321258545}
WEIGHT392
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS393
the atoms involved in each of the contacts you wish to calculate
=83,2684
SWITCH393
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.472755491733551}
WEIGHT393
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS394
the atoms involved in each of the contacts you wish to calculate
=83,2685
SWITCH394
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44844380021095276}
WEIGHT394
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS395
the atoms involved in each of the contacts you wish to calculate
=83,2687
SWITCH395
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43351006507873535}
WEIGHT395
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS396
the atoms involved in each of the contacts you wish to calculate
=83,2689
SWITCH396
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4815652370452881}
WEIGHT396
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS397
the atoms involved in each of the contacts you wish to calculate
=83,2692
SWITCH397
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43436673283576965}
WEIGHT397
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS398
the atoms involved in each of the contacts you wish to calculate
=83,2695
SWITCH398
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467674732208252}
WEIGHT398
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS399
the atoms involved in each of the contacts you wish to calculate
=83,2698
SWITCH399
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619409680366516}
WEIGHT399
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS400
the atoms involved in each of the contacts you wish to calculate
=83,2700
SWITCH400
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5459465384483337}
WEIGHT400
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS401
the atoms involved in each of the contacts you wish to calculate
=83,2701
SWITCH401
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5026307702064514}
WEIGHT401
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS402
the atoms involved in each of the contacts you wish to calculate
=83,2707
SWITCH402
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5471769571304321}
WEIGHT402
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS403
the atoms involved in each of the contacts you wish to calculate
=83,2708
SWITCH403
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5455179214477539}
WEIGHT403
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS404
the atoms involved in each of the contacts you wish to calculate
=83,2746
SWITCH404
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5585586428642273}
WEIGHT404
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS405
the atoms involved in each of the contacts you wish to calculate
=83,2748
SWITCH405
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40934649109840393}
WEIGHT405
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS406
the atoms involved in each of the contacts you wish to calculate
=83,2751
SWITCH406
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36932888627052307}
WEIGHT406
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS407
the atoms involved in each of the contacts you wish to calculate
=83,2754
SWITCH407
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3862769305706024}
WEIGHT407
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS408
the atoms involved in each of the contacts you wish to calculate
=83,2757
SWITCH408
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39055579900741577}
WEIGHT408
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS409
the atoms involved in each of the contacts you wish to calculate
=83,2760
SWITCH409
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269608497619629}
WEIGHT409
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS410
the atoms involved in each of the contacts you wish to calculate
=84,142
SWITCH410
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181082487106323}
WEIGHT410
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS411
the atoms involved in each of the contacts you wish to calculate
=84,145
SWITCH411
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46642592549324036}
WEIGHT411
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS412
the atoms involved in each of the contacts you wish to calculate
=84,148
SWITCH412
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5524062514305115}
WEIGHT412
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS413
the atoms involved in each of the contacts you wish to calculate
=84,149
SWITCH413
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918530821800232}
WEIGHT413
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS414
the atoms involved in each of the contacts you wish to calculate
=84,586
SWITCH414
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5245013236999512}
WEIGHT414
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS415
the atoms involved in each of the contacts you wish to calculate
=84,588
SWITCH415
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3791157007217407}
WEIGHT415
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS416
the atoms involved in each of the contacts you wish to calculate
=84,592
SWITCH416
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5582054853439331}
WEIGHT416
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS417
the atoms involved in each of the contacts you wish to calculate
=84,2636
SWITCH417
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5904563665390015}
WEIGHT417
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS418
the atoms involved in each of the contacts you wish to calculate
=84,2672
SWITCH418
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5712877511978149}
WEIGHT418
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS419
the atoms involved in each of the contacts you wish to calculate
=84,2683
SWITCH419
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4928593337535858}
WEIGHT419
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS420
the atoms involved in each of the contacts you wish to calculate
=84,2684
SWITCH420
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47303307056427}
WEIGHT420
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS421
the atoms involved in each of the contacts you wish to calculate
=84,2685
SWITCH421
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4656953513622284}
WEIGHT421
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS422
the atoms involved in each of the contacts you wish to calculate
=84,2687
SWITCH422
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41042545437812805}
WEIGHT422
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS423
the atoms involved in each of the contacts you wish to calculate
=84,2689
SWITCH423
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45511651039123535}
WEIGHT423
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS424
the atoms involved in each of the contacts you wish to calculate
=84,2692
SWITCH424
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38046836853027344}
WEIGHT424
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS425
the atoms involved in each of the contacts you wish to calculate
=84,2695
SWITCH425
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4625239968299866}
WEIGHT425
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS426
the atoms involved in each of the contacts you wish to calculate
=84,2698
SWITCH426
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45681431889533997}
WEIGHT426
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS427
the atoms involved in each of the contacts you wish to calculate
=84,2700
SWITCH427
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42154377698898315}
WEIGHT427
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS428
the atoms involved in each of the contacts you wish to calculate
=84,2701
SWITCH428
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37417587637901306}
WEIGHT428
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS429
the atoms involved in each of the contacts you wish to calculate
=84,2704
SWITCH429
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.490617960691452}
WEIGHT429
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS430
the atoms involved in each of the contacts you wish to calculate
=84,2707
SWITCH430
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49735379219055176}
WEIGHT430
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS431
the atoms involved in each of the contacts you wish to calculate
=84,2708
SWITCH431
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4686724543571472}
WEIGHT431
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS432
the atoms involved in each of the contacts you wish to calculate
=84,2744
SWITCH432
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545315682888031}
WEIGHT432
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS433
the atoms involved in each of the contacts you wish to calculate
=84,2746
SWITCH433
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.486417680978775}
WEIGHT433
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS434
the atoms involved in each of the contacts you wish to calculate
=84,2748
SWITCH434
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.342935711145401}
WEIGHT434
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS435
the atoms involved in each of the contacts you wish to calculate
=84,2751
SWITCH435
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35619962215423584}
WEIGHT435
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS436
the atoms involved in each of the contacts you wish to calculate
=84,2754
SWITCH436
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3954367935657501}
WEIGHT436
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS437
the atoms involved in each of the contacts you wish to calculate
=84,2757
SWITCH437
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4483729898929596}
WEIGHT437
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS438
the atoms involved in each of the contacts you wish to calculate
=84,2760
SWITCH438
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5877571702003479}
WEIGHT438
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS439
the atoms involved in each of the contacts you wish to calculate
=84,2764
SWITCH439
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5380826592445374}
WEIGHT439
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS440
the atoms involved in each of the contacts you wish to calculate
=84,2765
SWITCH440
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5884220600128174}
WEIGHT440
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS441
the atoms involved in each of the contacts you wish to calculate
=84,2766
SWITCH441
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5860067009925842}
WEIGHT441
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS442
the atoms involved in each of the contacts you wish to calculate
=86,138
SWITCH442
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5727925896644592}
WEIGHT442
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS443
the atoms involved in each of the contacts you wish to calculate
=86,140
SWITCH443
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.534735918045044}
WEIGHT443
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS444
the atoms involved in each of the contacts you wish to calculate
=86,142
SWITCH444
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39604830741882324}
WEIGHT444
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS445
the atoms involved in each of the contacts you wish to calculate
=86,145
SWITCH445
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3724907636642456}
WEIGHT445
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS446
the atoms involved in each of the contacts you wish to calculate
=86,148
SWITCH446
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5237529277801514}
WEIGHT446
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS447
the atoms involved in each of the contacts you wish to calculate
=86,149
SWITCH447
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5737337470054626}
WEIGHT447
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS448
the atoms involved in each of the contacts you wish to calculate
=86,588
SWITCH448
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49542808532714844}
WEIGHT448
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS449
the atoms involved in each of the contacts you wish to calculate
=86,2672
SWITCH449
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181207060813904}
WEIGHT449
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS450
the atoms involved in each of the contacts you wish to calculate
=86,2683
SWITCH450
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5538716316223145}
WEIGHT450
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS451
the atoms involved in each of the contacts you wish to calculate
=86,2684
SWITCH451
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5540555715560913}
WEIGHT451
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS452
the atoms involved in each of the contacts you wish to calculate
=86,2685
SWITCH452
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.555828869342804}
WEIGHT452
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS453
the atoms involved in each of the contacts you wish to calculate
=86,2687
SWITCH453
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610818266868591}
WEIGHT453
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS454
the atoms involved in each of the contacts you wish to calculate
=86,2692
SWITCH454
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742668509483337}
WEIGHT454
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS455
the atoms involved in each of the contacts you wish to calculate
=86,2748
SWITCH455
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4665903151035309}
WEIGHT455
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS456
the atoms involved in each of the contacts you wish to calculate
=86,2751
SWITCH456
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3981982469558716}
WEIGHT456
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS457
the atoms involved in each of the contacts you wish to calculate
=86,2754
SWITCH457
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3600442409515381}
WEIGHT457
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS458
the atoms involved in each of the contacts you wish to calculate
=86,2757
SWITCH458
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33039960265159607}
WEIGHT458
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS459
the atoms involved in each of the contacts you wish to calculate
=86,2760
SWITCH459
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4682369530200958}
WEIGHT459
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS460
the atoms involved in each of the contacts you wish to calculate
=88,138
SWITCH460
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5392485857009888}
WEIGHT460
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS461
the atoms involved in each of the contacts you wish to calculate
=88,140
SWITCH461
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5357913374900818}
WEIGHT461
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS462
the atoms involved in each of the contacts you wish to calculate
=88,142
SWITCH462
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4214003086090088}
WEIGHT462
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS463
the atoms involved in each of the contacts you wish to calculate
=88,145
SWITCH463
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39427056908607483}
WEIGHT463
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS464
the atoms involved in each of the contacts you wish to calculate
=88,148
SWITCH464
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5583431124687195}
WEIGHT464
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS465
the atoms involved in each of the contacts you wish to calculate
=88,149
SWITCH465
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5872716903686523}
WEIGHT465
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS466
the atoms involved in each of the contacts you wish to calculate
=88,2636
SWITCH466
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5896012783050537}
WEIGHT466
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS467
the atoms involved in each of the contacts you wish to calculate
=88,2670
SWITCH467
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.589590311050415}
WEIGHT467
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS468
the atoms involved in each of the contacts you wish to calculate
=88,2672
SWITCH468
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47330838441848755}
WEIGHT468
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS469
the atoms involved in each of the contacts you wish to calculate
=88,2675
SWITCH469
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550546646118164}
WEIGHT469
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS470
the atoms involved in each of the contacts you wish to calculate
=88,2683
SWITCH470
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5727057456970215}
WEIGHT470
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS471
the atoms involved in each of the contacts you wish to calculate
=88,2684
SWITCH471
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5929535031318665}
WEIGHT471
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS472
the atoms involved in each of the contacts you wish to calculate
=88,2685
SWITCH472
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825098752975464}
WEIGHT472
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS473
the atoms involved in each of the contacts you wish to calculate
=88,2748
SWITCH473
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5659726858139038}
WEIGHT473
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS474
the atoms involved in each of the contacts you wish to calculate
=88,2751
SWITCH474
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46849381923675537}
WEIGHT474
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS475
the atoms involved in each of the contacts you wish to calculate
=88,2754
SWITCH475
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4199410080909729}
WEIGHT475
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS476
the atoms involved in each of the contacts you wish to calculate
=88,2757
SWITCH476
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33747634291648865}
WEIGHT476
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS477
the atoms involved in each of the contacts you wish to calculate
=88,2760
SWITCH477
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44873398542404175}
WEIGHT477
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS478
the atoms involved in each of the contacts you wish to calculate
=90,138
SWITCH478
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40416571497917175}
WEIGHT478
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS479
the atoms involved in each of the contacts you wish to calculate
=90,140
SWITCH479
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47823941707611084}
WEIGHT479
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS480
the atoms involved in each of the contacts you wish to calculate
=90,142
SWITCH480
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44766372442245483}
WEIGHT480
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS481
the atoms involved in each of the contacts you wish to calculate
=90,145
SWITCH481
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43440765142440796}
WEIGHT481
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS482
the atoms involved in each of the contacts you wish to calculate
=90,148
SWITCH482
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5890856385231018}
WEIGHT482
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS483
the atoms involved in each of the contacts you wish to calculate
=90,153
SWITCH483
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5648121237754822}
WEIGHT483
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS484
the atoms involved in each of the contacts you wish to calculate
=90,155
SWITCH484
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5646530389785767}
WEIGHT484
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS485
the atoms involved in each of the contacts you wish to calculate
=90,2627
SWITCH485
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5270809531211853}
WEIGHT485
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS486
the atoms involved in each of the contacts you wish to calculate
=90,2757
SWITCH486
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822690725326538}
WEIGHT486
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS487
the atoms involved in each of the contacts you wish to calculate
=91,138
SWITCH487
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2861013412475586}
WEIGHT487
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS488
the atoms involved in each of the contacts you wish to calculate
=91,140
SWITCH488
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36595481634140015}
WEIGHT488
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS489
the atoms involved in each of the contacts you wish to calculate
=91,142
SWITCH489
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3498125374317169}
WEIGHT489
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS490
the atoms involved in each of the contacts you wish to calculate
=91,145
SWITCH490
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33623504638671875}
WEIGHT490
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS491
the atoms involved in each of the contacts you wish to calculate
=91,148
SWITCH491
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4832639992237091}
WEIGHT491
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS492
the atoms involved in each of the contacts you wish to calculate
=91,149
SWITCH492
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099128484725952}
WEIGHT492
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS493
the atoms involved in each of the contacts you wish to calculate
=91,153
SWITCH493
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4668669104576111}
WEIGHT493
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS494
the atoms involved in each of the contacts you wish to calculate
=91,154
SWITCH494
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5712242126464844}
WEIGHT494
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS495
the atoms involved in each of the contacts you wish to calculate
=91,155
SWITCH495
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4810165762901306}
WEIGHT495
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS496
the atoms involved in each of the contacts you wish to calculate
=91,2627
SWITCH496
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5493146777153015}
WEIGHT496
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS497
the atoms involved in each of the contacts you wish to calculate
=92,155
SWITCH497
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5661045908927917}
WEIGHT497
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS498
the atoms involved in each of the contacts you wish to calculate
=92,174
SWITCH498
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5921573638916016}
WEIGHT498
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS499
the atoms involved in each of the contacts you wish to calculate
=92,2757
SWITCH499
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5667011141777039}
WEIGHT499
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS500
the atoms involved in each of the contacts you wish to calculate
=94,155
SWITCH500
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45887503027915955}
WEIGHT500
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS501
the atoms involved in each of the contacts you wish to calculate
=94,157
SWITCH501
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5494769811630249}
WEIGHT501
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS502
the atoms involved in each of the contacts you wish to calculate
=94,159
SWITCH502
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5092144012451172}
WEIGHT502
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS503
the atoms involved in each of the contacts you wish to calculate
=94,168
SWITCH503
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5679211616516113}
WEIGHT503
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS504
the atoms involved in each of the contacts you wish to calculate
=94,170
SWITCH504
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5132041573524475}
WEIGHT504
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS505
the atoms involved in each of the contacts you wish to calculate
=94,171
SWITCH505
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5216459631919861}
WEIGHT505
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS506
the atoms involved in each of the contacts you wish to calculate
=94,174
SWITCH506
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47216758131980896}
WEIGHT506
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS507
the atoms involved in each of the contacts you wish to calculate
=96,155
SWITCH507
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432514548301697}
WEIGHT507
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS508
the atoms involved in each of the contacts you wish to calculate
=96,159
SWITCH508
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5297747254371643}
WEIGHT508
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS509
the atoms involved in each of the contacts you wish to calculate
=96,168
SWITCH509
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5091822743415833}
WEIGHT509
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS510
the atoms involved in each of the contacts you wish to calculate
=96,170
SWITCH510
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43667906522750854}
WEIGHT510
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS511
the atoms involved in each of the contacts you wish to calculate
=96,171
SWITCH511
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4618470370769501}
WEIGHT511
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS512
the atoms involved in each of the contacts you wish to calculate
=96,174
SWITCH512
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3635963797569275}
WEIGHT512
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS513
the atoms involved in each of the contacts you wish to calculate
=96,2757
SWITCH513
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5959517955780029}
WEIGHT513
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS514
the atoms involved in each of the contacts you wish to calculate
=99,168
SWITCH514
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5477171540260315}
WEIGHT514
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS515
the atoms involved in each of the contacts you wish to calculate
=99,170
SWITCH515
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4438354969024658}
WEIGHT515
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS516
the atoms involved in each of the contacts you wish to calculate
=99,171
SWITCH516
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44028180837631226}
WEIGHT516
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS517
the atoms involved in each of the contacts you wish to calculate
=99,174
SWITCH517
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36500120162963867}
WEIGHT517
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS518
the atoms involved in each of the contacts you wish to calculate
=99,2754
SWITCH518
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5956257581710815}
WEIGHT518
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS519
the atoms involved in each of the contacts you wish to calculate
=99,2757
SWITCH519
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47336891293525696}
WEIGHT519
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS520
the atoms involved in each of the contacts you wish to calculate
=99,2760
SWITCH520
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4808410704135895}
WEIGHT520
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS521
the atoms involved in each of the contacts you wish to calculate
=102,159
SWITCH521
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5913870930671692}
WEIGHT521
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS522
the atoms involved in each of the contacts you wish to calculate
=102,165
SWITCH522
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5699501037597656}
WEIGHT522
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS523
the atoms involved in each of the contacts you wish to calculate
=102,168
SWITCH523
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4735928773880005}
WEIGHT523
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS524
the atoms involved in each of the contacts you wish to calculate
=102,170
SWITCH524
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3542570471763611}
WEIGHT524
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS525
the atoms involved in each of the contacts you wish to calculate
=102,171
SWITCH525
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.315775603055954}
WEIGHT525
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS526
the atoms involved in each of the contacts you wish to calculate
=102,174
SWITCH526
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.30804234743118286}
WEIGHT526
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS527
the atoms involved in each of the contacts you wish to calculate
=102,2754
SWITCH527
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5231195092201233}
WEIGHT527
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS528
the atoms involved in each of the contacts you wish to calculate
=102,2757
SWITCH528
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4302116334438324}
WEIGHT528
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS529
the atoms involved in each of the contacts you wish to calculate
=102,2760
SWITCH529
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4583602845668793}
WEIGHT529
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS530
the atoms involved in each of the contacts you wish to calculate
=103,155
SWITCH530
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5466897487640381}
WEIGHT530
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS531
the atoms involved in each of the contacts you wish to calculate
=103,159
SWITCH531
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5693301558494568}
WEIGHT531
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS532
the atoms involved in each of the contacts you wish to calculate
=103,165
SWITCH532
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5539757013320923}
WEIGHT532
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS533
the atoms involved in each of the contacts you wish to calculate
=103,168
SWITCH533
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4865944981575012}
WEIGHT533
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS534
the atoms involved in each of the contacts you wish to calculate
=103,170
SWITCH534
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3769615590572357}
WEIGHT534
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS535
the atoms involved in each of the contacts you wish to calculate
=103,171
SWITCH535
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3029952049255371}
WEIGHT535
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS536
the atoms involved in each of the contacts you wish to calculate
=103,174
SWITCH536
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3736926317214966}
WEIGHT536
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS537
the atoms involved in each of the contacts you wish to calculate
=103,2754
SWITCH537
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46452322602272034}
WEIGHT537
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS538
the atoms involved in each of the contacts you wish to calculate
=103,2757
SWITCH538
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39308270812034607}
WEIGHT538
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS539
the atoms involved in each of the contacts you wish to calculate
=103,2760
SWITCH539
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46013274788856506}
WEIGHT539
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS540
the atoms involved in each of the contacts you wish to calculate
=104,165
SWITCH540
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5622785687446594}
WEIGHT540
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS541
the atoms involved in each of the contacts you wish to calculate
=104,168
SWITCH541
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45415884256362915}
WEIGHT541
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS542
the atoms involved in each of the contacts you wish to calculate
=104,170
SWITCH542
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3222576379776001}
WEIGHT542
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS543
the atoms involved in each of the contacts you wish to calculate
=104,171
SWITCH543
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.28458070755004883}
WEIGHT543
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS544
the atoms involved in each of the contacts you wish to calculate
=104,174
SWITCH544
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2697333097457886}
WEIGHT544
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS545
the atoms involved in each of the contacts you wish to calculate
=104,2754
SWITCH545
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5503525137901306}
WEIGHT545
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS546
the atoms involved in each of the contacts you wish to calculate
=104,2757
SWITCH546
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4742699861526489}
WEIGHT546
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS547
the atoms involved in each of the contacts you wish to calculate
=104,2760
SWITCH547
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48077648878097534}
WEIGHT547
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS548
the atoms involved in each of the contacts you wish to calculate
=105,155
SWITCH548
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40816161036491394}
WEIGHT548
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS549
the atoms involved in each of the contacts you wish to calculate
=105,157
SWITCH549
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49249812960624695}
WEIGHT549
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS550
the atoms involved in each of the contacts you wish to calculate
=105,159
SWITCH550
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4517176151275635}
WEIGHT550
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS551
the atoms involved in each of the contacts you wish to calculate
=105,162
SWITCH551
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5848396420478821}
WEIGHT551
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS552
the atoms involved in each of the contacts you wish to calculate
=105,168
SWITCH552
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5755900144577026}
WEIGHT552
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS553
the atoms involved in each of the contacts you wish to calculate
=105,170
SWITCH553
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5551342964172363}
WEIGHT553
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS554
the atoms involved in each of the contacts you wish to calculate
=105,171
SWITCH554
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5881785154342651}
WEIGHT554
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS555
the atoms involved in each of the contacts you wish to calculate
=105,174
SWITCH555
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.52174311876297}
WEIGHT555
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS556
the atoms involved in each of the contacts you wish to calculate
=105,177
SWITCH556
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5969133973121643}
WEIGHT556
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS557
the atoms involved in each of the contacts you wish to calculate
=105,178
SWITCH557
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5892688035964966}
WEIGHT557
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS558
the atoms involved in each of the contacts you wish to calculate
=106,155
SWITCH558
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3067578375339508}
WEIGHT558
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS559
the atoms involved in each of the contacts you wish to calculate
=106,157
SWITCH559
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37785062193870544}
WEIGHT559
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS560
the atoms involved in each of the contacts you wish to calculate
=106,159
SWITCH560
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3401607871055603}
WEIGHT560
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS561
the atoms involved in each of the contacts you wish to calculate
=106,162
SWITCH561
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48088890314102173}
WEIGHT561
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS562
the atoms involved in each of the contacts you wish to calculate
=106,165
SWITCH562
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432841777801514}
WEIGHT562
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS563
the atoms involved in each of the contacts you wish to calculate
=106,168
SWITCH563
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.510678231716156}
WEIGHT563
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS564
the atoms involved in each of the contacts you wish to calculate
=106,170
SWITCH564
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5157387852668762}
WEIGHT564
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS565
the atoms involved in each of the contacts you wish to calculate
=106,171
SWITCH565
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.555491030216217}
WEIGHT565
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS566
the atoms involved in each of the contacts you wish to calculate
=106,174
SWITCH566
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.50669926404953}
WEIGHT566
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS567
the atoms involved in each of the contacts you wish to calculate
=106,177
SWITCH567
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4765022099018097}
WEIGHT567
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS568
the atoms involved in each of the contacts you wish to calculate
=106,178
SWITCH568
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4677118957042694}
WEIGHT568
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS569
the atoms involved in each of the contacts you wish to calculate
=106,179
SWITCH569
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5945799350738525}
WEIGHT569
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS570
the atoms involved in each of the contacts you wish to calculate
=107,2489
SWITCH570
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5497939586639404}
WEIGHT570
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS571
the atoms involved in each of the contacts you wish to calculate
=107,2491
SWITCH571
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.595111072063446}
WEIGHT571
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS572
the atoms involved in each of the contacts you wish to calculate
=109,2468
SWITCH572
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5939940214157104}
WEIGHT572
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS573
the atoms involved in each of the contacts you wish to calculate
=109,2472
SWITCH573
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46326780319213867}
WEIGHT573
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS574
the atoms involved in each of the contacts you wish to calculate
=109,2487
SWITCH574
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5697310566902161}
WEIGHT574
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS575
the atoms involved in each of the contacts you wish to calculate
=109,2489
SWITCH575
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4655928611755371}
WEIGHT575
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS576
the atoms involved in each of the contacts you wish to calculate
=109,2491
SWITCH576
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5268895626068115}
WEIGHT576
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS577
the atoms involved in each of the contacts you wish to calculate
=111,2468
SWITCH577
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5594031810760498}
WEIGHT577
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS578
the atoms involved in each of the contacts you wish to calculate
=111,2472
SWITCH578
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4284272789955139}
WEIGHT578
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS579
the atoms involved in each of the contacts you wish to calculate
=111,2487
SWITCH579
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5135896801948547}
WEIGHT579
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS580
the atoms involved in each of the contacts you wish to calculate
=111,2489
SWITCH580
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3886050283908844}
WEIGHT580
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS581
the atoms involved in each of the contacts you wish to calculate
=111,2491
SWITCH581
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4210628569126129}
WEIGHT581
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS582
the atoms involved in each of the contacts you wish to calculate
=111,2493
SWITCH582
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5593695044517517}
WEIGHT582
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS583
the atoms involved in each of the contacts you wish to calculate
=114,2466
SWITCH583
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5161994099617004}
WEIGHT583
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS584
the atoms involved in each of the contacts you wish to calculate
=114,2468
SWITCH584
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46580779552459717}
WEIGHT584
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS585
the atoms involved in each of the contacts you wish to calculate
=114,2469
SWITCH585
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5687714219093323}
WEIGHT585
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS586
the atoms involved in each of the contacts you wish to calculate
=114,2472
SWITCH586
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33818772435188293}
WEIGHT586
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS587
the atoms involved in each of the contacts you wish to calculate
=114,2487
SWITCH587
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5110100507736206}
WEIGHT587
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS588
the atoms involved in each of the contacts you wish to calculate
=114,2489
SWITCH588
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39540964365005493}
WEIGHT588
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS589
the atoms involved in each of the contacts you wish to calculate
=114,2491
SWITCH589
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4363037049770355}
WEIGHT589
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS590
the atoms involved in each of the contacts you wish to calculate
=114,2493
SWITCH590
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742639303207397}
WEIGHT590
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS591
the atoms involved in each of the contacts you wish to calculate
=115,2457
SWITCH591
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5787242650985718}
WEIGHT591
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS592
the atoms involved in each of the contacts you wish to calculate
=115,2460
SWITCH592
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918317437171936}
WEIGHT592
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS593
the atoms involved in each of the contacts you wish to calculate
=115,2463
SWITCH593
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619649887084961}
WEIGHT593
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS594
the atoms involved in each of the contacts you wish to calculate
=115,2466
SWITCH594
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42379793524742126}
WEIGHT594
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS595
the atoms involved in each of the contacts you wish to calculate
=115,2468
SWITCH595
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39985743165016174}
WEIGHT595
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS596
the atoms involved in each of the contacts you wish to calculate
=115,2469
SWITCH596
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5197632908821106}
WEIGHT596
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS597
the atoms involved in each of the contacts you wish to calculate
=115,2472
SWITCH597
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.288034588098526}
WEIGHT597
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS598
the atoms involved in each of the contacts you wish to calculate
=115,2484
SWITCH598
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5783767104148865}
WEIGHT598
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS599
the atoms involved in each of the contacts you wish to calculate
=115,2485
SWITCH599
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5556961297988892}
WEIGHT599
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS600
the atoms involved in each of the contacts you wish to calculate
=115,2487
SWITCH600
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4485577642917633}
WEIGHT600
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS601
the atoms involved in each of the contacts you wish to calculate
=115,2489
SWITCH601
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3388477861881256}
WEIGHT601
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS602
the atoms involved in each of the contacts you wish to calculate
=115,2491
SWITCH602
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3703051507472992}
WEIGHT602
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS603
the atoms involved in each of the contacts you wish to calculate
=115,2493
SWITCH603
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4994155466556549}
WEIGHT603
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS604
the atoms involved in each of the contacts you wish to calculate
=116,2466
SWITCH604
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5568642020225525}
WEIGHT604
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS605
the atoms involved in each of the contacts you wish to calculate
=116,2468
SWITCH605
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.501131534576416}
WEIGHT605
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS606
the atoms involved in each of the contacts you wish to calculate
=116,2469
SWITCH606
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5935696959495544}
WEIGHT606
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS607
the atoms involved in each of the contacts you wish to calculate
=116,2472
SWITCH607
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3788784146308899}
WEIGHT607
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS608
the atoms involved in each of the contacts you wish to calculate
=116,2489
SWITCH608
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5107741951942444}
WEIGHT608
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS609
the atoms involved in each of the contacts you wish to calculate
=116,2491
SWITCH609
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5592229962348938}
WEIGHT609
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS610
the atoms involved in each of the contacts you wish to calculate
=117,2468
SWITCH610
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5057409405708313}
WEIGHT610
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS611
the atoms involved in each of the contacts you wish to calculate
=117,2469
SWITCH611
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5475164651870728}
WEIGHT611
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS612
the atoms involved in each of the contacts you wish to calculate
=117,2472
SWITCH612
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3864324688911438}
WEIGHT612
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS613
the atoms involved in each of the contacts you wish to calculate
=117,2487
SWITCH613
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4913192689418793}
WEIGHT613
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS614
the atoms involved in each of the contacts you wish to calculate
=117,2489
SWITCH614
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4177892804145813}
WEIGHT614
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS615
the atoms involved in each of the contacts you wish to calculate
=117,2491
SWITCH615
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5136339664459229}
WEIGHT615
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS616
the atoms involved in each of the contacts you wish to calculate
=118,2466
SWITCH616
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5529361963272095}
WEIGHT616
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS617
the atoms involved in each of the contacts you wish to calculate
=118,2468
SWITCH617
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4345676004886627}
WEIGHT617
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS618
the atoms involved in each of the contacts you wish to calculate
=118,2469
SWITCH618
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4587344825267792}
WEIGHT618
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS619
the atoms involved in each of the contacts you wish to calculate
=118,2472
SWITCH619
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3258269727230072}
WEIGHT619
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS620
the atoms involved in each of the contacts you wish to calculate
=118,2487
SWITCH620
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5057229399681091}
WEIGHT620
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS621
the atoms involved in each of the contacts you wish to calculate
=118,2489
SWITCH621
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45390406250953674}
WEIGHT621
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS622
the atoms involved in each of the contacts you wish to calculate
=118,2491
SWITCH622
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5665836930274963}
WEIGHT622
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS623
the atoms involved in each of the contacts you wish to calculate
=119,2468
SWITCH623
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5575348734855652}
WEIGHT623
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS624
the atoms involved in each of the contacts you wish to calculate
=119,2469
SWITCH624
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5859995484352112}
WEIGHT624
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS625
the atoms involved in each of the contacts you wish to calculate
=119,2472
SWITCH625
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45294293761253357}
WEIGHT625
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS626
the atoms involved in each of the contacts you wish to calculate
=119,2485
SWITCH626
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5917377471923828}
WEIGHT626
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS627
the atoms involved in each of the contacts you wish to calculate
=119,2487
SWITCH627
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46437665820121765}
WEIGHT627
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS628
the atoms involved in each of the contacts you wish to calculate
=119,2489
SWITCH628
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4096108376979828}
WEIGHT628
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS629
the atoms involved in each of the contacts you wish to calculate
=119,2491
SWITCH629
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5075125694274902}
WEIGHT629
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS630
the atoms involved in each of the contacts you wish to calculate
=121,2468
SWITCH630
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5554844737052917}
WEIGHT630
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS631
the atoms involved in each of the contacts you wish to calculate
=121,2469
SWITCH631
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5543693900108337}
WEIGHT631
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS632
the atoms involved in each of the contacts you wish to calculate
=121,2472
SWITCH632
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4779050052165985}
WEIGHT632
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS633
the atoms involved in each of the contacts you wish to calculate
=121,2485
SWITCH633
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5731696486473083}
WEIGHT633
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS634
the atoms involved in each of the contacts you wish to calculate
=121,2487
SWITCH634
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4545432925224304}
WEIGHT634
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS635
the atoms involved in each of the contacts you wish to calculate
=121,2489
SWITCH635
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4435187876224518}
WEIGHT635
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS636
the atoms involved in each of the contacts you wish to calculate
=121,2491
SWITCH636
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5580437183380127}
WEIGHT636
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS637
the atoms involved in each of the contacts you wish to calculate
=123,2472
SWITCH637
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.548585832118988}
WEIGHT637
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS638
the atoms involved in each of the contacts you wish to calculate
=123,2484
SWITCH638
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5859228372573853}
WEIGHT638
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS639
the atoms involved in each of the contacts you wish to calculate
=123,2485
SWITCH639
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5053396224975586}
WEIGHT639
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS640
the atoms involved in each of the contacts you wish to calculate
=123,2487
SWITCH640
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.412972629070282}
WEIGHT640
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS641
the atoms involved in each of the contacts you wish to calculate
=123,2489
SWITCH641
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42444077134132385}
WEIGHT641
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS642
the atoms involved in each of the contacts you wish to calculate
=123,2491
SWITCH642
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5252939462661743}
WEIGHT642
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS643
the atoms involved in each of the contacts you wish to calculate
=123,2493
SWITCH643
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5974696278572083}
WEIGHT643
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS644
the atoms involved in each of the contacts you wish to calculate
=123,2627
SWITCH644
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5731010437011719}
WEIGHT644
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS645
the atoms involved in each of the contacts you wish to calculate
=126,630
SWITCH645
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5353927612304688}
WEIGHT645
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS646
the atoms involved in each of the contacts you wish to calculate
=126,633
SWITCH646
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5973686575889587}
WEIGHT646
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS647
the atoms involved in each of the contacts you wish to calculate
=126,639
SWITCH647
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.517166256904602}
WEIGHT647
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS648
the atoms involved in each of the contacts you wish to calculate
=126,646
SWITCH648
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5945161581039429}
WEIGHT648
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS649
the atoms involved in each of the contacts you wish to calculate
=126,647
SWITCH649
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5499789118766785}
WEIGHT649
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS650
the atoms involved in each of the contacts you wish to calculate
=126,705
SWITCH650
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4765685796737671}
WEIGHT650
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS651
the atoms involved in each of the contacts you wish to calculate
=126,2485
SWITCH651
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5263640284538269}
WEIGHT651
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS652
the atoms involved in each of the contacts you wish to calculate
=126,2487
SWITCH652
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4592922031879425}
WEIGHT652
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS653
the atoms involved in each of the contacts you wish to calculate
=126,2489
SWITCH653
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5120242238044739}
WEIGHT653
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS654
the atoms involved in each of the contacts you wish to calculate
=128,630
SWITCH654
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5649122595787048}
WEIGHT654
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS655
the atoms involved in each of the contacts you wish to calculate
=128,636
SWITCH655
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5940715670585632}
WEIGHT655
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS656
the atoms involved in each of the contacts you wish to calculate
=128,639
SWITCH656
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613213837146759}
WEIGHT656
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS657
the atoms involved in each of the contacts you wish to calculate
=128,642
SWITCH657
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5137355327606201}
WEIGHT657
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS658
the atoms involved in each of the contacts you wish to calculate
=128,647
SWITCH658
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5830925703048706}
WEIGHT658
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS659
the atoms involved in each of the contacts you wish to calculate
=128,705
SWITCH659
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5121579766273499}
WEIGHT659
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS660
the atoms involved in each of the contacts you wish to calculate
=128,2468
SWITCH660
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5553255081176758}
WEIGHT660
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS661
the atoms involved in each of the contacts you wish to calculate
=128,2469
SWITCH661
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5142049193382263}
WEIGHT661
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS662
the atoms involved in each of the contacts you wish to calculate
=128,2472
SWITCH662
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488356947898865}
WEIGHT662
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS663
the atoms involved in each of the contacts you wish to calculate
=128,2484
SWITCH663
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5893114805221558}
WEIGHT663
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS664
the atoms involved in each of the contacts you wish to calculate
=128,2485
SWITCH664
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47012579441070557}
WEIGHT664
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS665
the atoms involved in each of the contacts you wish to calculate
=128,2487
SWITCH665
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40698471665382385}
WEIGHT665
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS666
the atoms involved in each of the contacts you wish to calculate
=128,2489
SWITCH666
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49016961455345154}
WEIGHT666
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS667
the atoms involved in each of the contacts you wish to calculate
=132,630
SWITCH667
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5928357243537903}
WEIGHT667
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS668
the atoms involved in each of the contacts you wish to calculate
=132,639
SWITCH668
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5942855477333069}
WEIGHT668
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS669
the atoms involved in each of the contacts you wish to calculate
=132,646
SWITCH669
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5856091380119324}
WEIGHT669
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS670
the atoms involved in each of the contacts you wish to calculate
=132,647
SWITCH670
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5205259919166565}
WEIGHT670
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS671
the atoms involved in each of the contacts you wish to calculate
=132,697
SWITCH671
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5988277792930603}
WEIGHT671
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS672
the atoms involved in each of the contacts you wish to calculate
=132,699
SWITCH672
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48210594058036804}
WEIGHT672
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS673
the atoms involved in each of the contacts you wish to calculate
=132,701
SWITCH673
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47332215309143066}
WEIGHT673
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS674
the atoms involved in each of the contacts you wish to calculate
=132,705
SWITCH674
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3725535571575165}
WEIGHT674
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS675
the atoms involved in each of the contacts you wish to calculate
=132,2484
SWITCH675
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732763409614563}
WEIGHT675
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS676
the atoms involved in each of the contacts you wish to calculate
=132,2485
SWITCH676
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4970130920410156}
WEIGHT676
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS677
the atoms involved in each of the contacts you wish to calculate
=132,2487
SWITCH677
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4672197699546814}
WEIGHT677
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS678
the atoms involved in each of the contacts you wish to calculate
=132,2489
SWITCH678
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294206142425537}
WEIGHT678
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS679
the atoms involved in each of the contacts you wish to calculate
=132,2625
SWITCH679
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5722167491912842}
WEIGHT679
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS680
the atoms involved in each of the contacts you wish to calculate
=132,2627
SWITCH680
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5123468041419983}
WEIGHT680
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS681
the atoms involved in each of the contacts you wish to calculate
=132,2631
SWITCH681
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5535756945610046}
WEIGHT681
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS682
the atoms involved in each of the contacts you wish to calculate
=136,630
SWITCH682
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5946613550186157}
WEIGHT682
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS683
the atoms involved in each of the contacts you wish to calculate
=136,2472
SWITCH683
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.581919252872467}
WEIGHT683
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS684
the atoms involved in each of the contacts you wish to calculate
=136,2487
SWITCH684
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5984298586845398}
WEIGHT684
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS685
the atoms involved in each of the contacts you wish to calculate
=136,2489
SWITCH685
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5946473479270935}
WEIGHT685
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS686
the atoms involved in each of the contacts you wish to calculate
=137,630
SWITCH686
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.529457151889801}
WEIGHT686
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS687
the atoms involved in each of the contacts you wish to calculate
=137,633
SWITCH687
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5152269005775452}
WEIGHT687
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS688
the atoms involved in each of the contacts you wish to calculate
=137,636
SWITCH688
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650524497032166}
WEIGHT688
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS689
the atoms involved in each of the contacts you wish to calculate
=137,639
SWITCH689
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5070311427116394}
WEIGHT689
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS690
the atoms involved in each of the contacts you wish to calculate
=140,584
SWITCH690
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.595639169216156}
WEIGHT690
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS691
the atoms involved in each of the contacts you wish to calculate
=140,588
SWITCH691
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5598883032798767}
WEIGHT691
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS692
the atoms involved in each of the contacts you wish to calculate
=140,592
SWITCH692
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5710936188697815}
WEIGHT692
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS693
the atoms involved in each of the contacts you wish to calculate
=140,630
SWITCH693
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750530958175659}
WEIGHT693
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS694
the atoms involved in each of the contacts you wish to calculate
=140,633
SWITCH694
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5933157801628113}
WEIGHT694
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS695
the atoms involved in each of the contacts you wish to calculate
=142,584
SWITCH695
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5324715971946716}
WEIGHT695
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS696
the atoms involved in each of the contacts you wish to calculate
=142,586
SWITCH696
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5091816782951355}
WEIGHT696
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS697
the atoms involved in each of the contacts you wish to calculate
=142,588
SWITCH697
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4397691488265991}
WEIGHT697
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS698
the atoms involved in each of the contacts you wish to calculate
=142,592
SWITCH698
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48562726378440857}
WEIGHT698
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS699
the atoms involved in each of the contacts you wish to calculate
=142,595
SWITCH699
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5766509175300598}
WEIGHT699
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS700
the atoms involved in each of the contacts you wish to calculate
=145,584
SWITCH700
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5272219777107239}
WEIGHT700
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS701
the atoms involved in each of the contacts you wish to calculate
=145,586
SWITCH701
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5133622288703918}
WEIGHT701
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS702
the atoms involved in each of the contacts you wish to calculate
=145,588
SWITCH702
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41722142696380615}
WEIGHT702
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS703
the atoms involved in each of the contacts you wish to calculate
=145,592
SWITCH703
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5308302640914917}
WEIGHT703
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS704
the atoms involved in each of the contacts you wish to calculate
=145,594
SWITCH704
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5641929507255554}
WEIGHT704
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS705
the atoms involved in each of the contacts you wish to calculate
=145,595
SWITCH705
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5086303949356079}
WEIGHT705
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS706
the atoms involved in each of the contacts you wish to calculate
=145,630
SWITCH706
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.548515260219574}
WEIGHT706
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS707
the atoms involved in each of the contacts you wish to calculate
=145,652
SWITCH707
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5973715782165527}
WEIGHT707
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS708
the atoms involved in each of the contacts you wish to calculate
=148,580
SWITCH708
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5916053652763367}
WEIGHT708
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS709
the atoms involved in each of the contacts you wish to calculate
=148,581
SWITCH709
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5268579721450806}
WEIGHT709
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS710
the atoms involved in each of the contacts you wish to calculate
=148,582
SWITCH710
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5635003447532654}
WEIGHT710
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS711
the atoms involved in each of the contacts you wish to calculate
=148,584
SWITCH711
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4417250156402588}
WEIGHT711
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS712
the atoms involved in each of the contacts you wish to calculate
=148,586
SWITCH712
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47522252798080444}
WEIGHT712
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS713
the atoms involved in each of the contacts you wish to calculate
=148,588
SWITCH713
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40428638458251953}
WEIGHT713
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS714
the atoms involved in each of the contacts you wish to calculate
=148,592
SWITCH714
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5273732542991638}
WEIGHT714
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS715
the atoms involved in each of the contacts you wish to calculate
=148,594
SWITCH715
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44839680194854736}
WEIGHT715
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS716
the atoms involved in each of the contacts you wish to calculate
=148,595
SWITCH716
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.369035005569458}
WEIGHT716
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS717
the atoms involved in each of the contacts you wish to calculate
=148,596
SWITCH717
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.574969470500946}
WEIGHT717
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS718
the atoms involved in each of the contacts you wish to calculate
=148,626
SWITCH718
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5440005660057068}
WEIGHT718
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS719
the atoms involved in each of the contacts you wish to calculate
=148,628
SWITCH719
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46783921122550964}
WEIGHT719
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS720
the atoms involved in each of the contacts you wish to calculate
=148,630
SWITCH720
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37914806604385376}
WEIGHT720
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS721
the atoms involved in each of the contacts you wish to calculate
=148,633
SWITCH721
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4787598252296448}
WEIGHT721
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS722
the atoms involved in each of the contacts you wish to calculate
=148,639
SWITCH722
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918183922767639}
WEIGHT722
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS723
the atoms involved in each of the contacts you wish to calculate
=148,646
SWITCH723
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4437062442302704}
WEIGHT723
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS724
the atoms involved in each of the contacts you wish to calculate
=148,647
SWITCH724
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49258583784103394}
WEIGHT724
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS725
the atoms involved in each of the contacts you wish to calculate
=148,648
SWITCH725
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43210315704345703}
WEIGHT725
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS726
the atoms involved in each of the contacts you wish to calculate
=148,650
SWITCH726
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4671936631202698}
WEIGHT726
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS727
the atoms involved in each of the contacts you wish to calculate
=148,652
SWITCH727
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4752376675605774}
WEIGHT727
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS728
the atoms involved in each of the contacts you wish to calculate
=148,655
SWITCH728
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5735578536987305}
WEIGHT728
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS729
the atoms involved in each of the contacts you wish to calculate
=148,656
SWITCH729
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5656972527503967}
WEIGHT729
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS730
the atoms involved in each of the contacts you wish to calculate
=148,705
SWITCH730
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5874531269073486}
WEIGHT730
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS731
the atoms involved in each of the contacts you wish to calculate
=149,584
SWITCH731
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.573193371295929}
WEIGHT731
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS732
the atoms involved in each of the contacts you wish to calculate
=149,588
SWITCH732
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5182458758354187}
WEIGHT732
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS733
the atoms involved in each of the contacts you wish to calculate
=149,594
SWITCH733
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5363684296607971}
WEIGHT733
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS734
the atoms involved in each of the contacts you wish to calculate
=149,595
SWITCH734
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43141162395477295}
WEIGHT734
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS735
the atoms involved in each of the contacts you wish to calculate
=149,626
SWITCH735
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5707555413246155}
WEIGHT735
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS736
the atoms involved in each of the contacts you wish to calculate
=149,628
SWITCH736
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47160837054252625}
WEIGHT736
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS737
the atoms involved in each of the contacts you wish to calculate
=149,630
SWITCH737
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4259277284145355}
WEIGHT737
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS738
the atoms involved in each of the contacts you wish to calculate
=149,633
SWITCH738
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.554869532585144}
WEIGHT738
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS739
the atoms involved in each of the contacts you wish to calculate
=149,646
SWITCH739
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3942033648490906}
WEIGHT739
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS740
the atoms involved in each of the contacts you wish to calculate
=149,647
SWITCH740
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40702053904533386}
WEIGHT740
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS741
the atoms involved in each of the contacts you wish to calculate
=149,648
SWITCH741
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37880098819732666}
WEIGHT741
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS742
the atoms involved in each of the contacts you wish to calculate
=149,650
SWITCH742
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3668091595172882}
WEIGHT742
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS743
the atoms involved in each of the contacts you wish to calculate
=149,652
SWITCH743
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39344629645347595}
WEIGHT743
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS744
the atoms involved in each of the contacts you wish to calculate
=149,655
SWITCH744
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4652674198150635}
WEIGHT744
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS745
the atoms involved in each of the contacts you wish to calculate
=149,656
SWITCH745
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43051859736442566}
WEIGHT745
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS746
the atoms involved in each of the contacts you wish to calculate
=149,658
SWITCH746
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5480756759643555}
WEIGHT746
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS747
the atoms involved in each of the contacts you wish to calculate
=149,667
SWITCH747
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5046996474266052}
WEIGHT747
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS748
the atoms involved in each of the contacts you wish to calculate
=149,668
SWITCH748
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5402522683143616}
WEIGHT748
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS749
the atoms involved in each of the contacts you wish to calculate
=149,699
SWITCH749
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5241203308105469}
WEIGHT749
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS750
the atoms involved in each of the contacts you wish to calculate
=149,701
SWITCH750
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5877852439880371}
WEIGHT750
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS751
the atoms involved in each of the contacts you wish to calculate
=149,705
SWITCH751
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.433716356754303}
WEIGHT751
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS752
the atoms involved in each of the contacts you wish to calculate
=149,2625
SWITCH752
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5765672326087952}
WEIGHT752
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS753
the atoms involved in each of the contacts you wish to calculate
=149,2627
SWITCH753
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.593357503414154}
WEIGHT753
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS754
the atoms involved in each of the contacts you wish to calculate
=149,2631
SWITCH754
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5957211852073669}
WEIGHT754
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS755
the atoms involved in each of the contacts you wish to calculate
=153,592
SWITCH755
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750492811203003}
WEIGHT755
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS756
the atoms involved in each of the contacts you wish to calculate
=154,581
SWITCH756
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5363260507583618}
WEIGHT756
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS757
the atoms involved in each of the contacts you wish to calculate
=154,584
SWITCH757
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5684237480163574}
WEIGHT757
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS758
the atoms involved in each of the contacts you wish to calculate
=154,586
SWITCH758
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5699453949928284}
WEIGHT758
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS759
the atoms involved in each of the contacts you wish to calculate
=154,588
SWITCH759
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.578111469745636}
WEIGHT759
A weight value for a given contact, by default is 1
=0.0013157894736842105
ATOMS760
the atoms involved in each of the contacts you wish to calculate
=154,592
SWITCH760
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49099254608154297}
WEIGHT760
A weight value for a given contact, by default is 1
=0.0013157894736842105
LABEL
a label for the action so that its output can be referenced in the input to other actions
=qh
SUM
calculate the sum of all the contacts in the input
NOPBC
ignore the periodic boundary conditions when calculating distances
... CONTACTMAP
CONTACTMAP
Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details
...
ATOMS1
the atoms involved in each of the contacts you wish to calculate
=54,650
SWITCH1
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2073395252227783}
WEIGHT1
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS2
the atoms involved in each of the contacts you wish to calculate
=54,652
SWITCH2
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2153960466384888}
WEIGHT2
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS3
the atoms involved in each of the contacts you wish to calculate
=54,655
SWITCH3
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2032161951065063}
WEIGHT3
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS4
the atoms involved in each of the contacts you wish to calculate
=54,656
SWITCH4
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0849343538284302}
WEIGHT4
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS5
the atoms involved in each of the contacts you wish to calculate
=54,658
SWITCH5
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0972305536270142}
WEIGHT5
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS6
the atoms involved in each of the contacts you wish to calculate
=54,660
SWITCH6
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2276251316070557}
WEIGHT6
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS7
the atoms involved in each of the contacts you wish to calculate
=54,661
SWITCH7
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2704747915267944}
WEIGHT7
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS8
the atoms involved in each of the contacts you wish to calculate
=54,663
SWITCH8
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3364982604980469}
WEIGHT8
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS9
the atoms involved in each of the contacts you wish to calculate
=54,665
SWITCH9
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3214726448059082}
WEIGHT9
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS10
the atoms involved in each of the contacts you wish to calculate
=54,697
SWITCH10
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2260346412658691}
WEIGHT10
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS11
the atoms involved in each of the contacts you wish to calculate
=54,699
SWITCH11
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0861667394638062}
WEIGHT11
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS12
the atoms involved in each of the contacts you wish to calculate
=54,701
SWITCH12
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0051428079605103}
WEIGHT12
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS13
the atoms involved in each of the contacts you wish to calculate
=54,705
SWITCH13
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0303683280944824}
WEIGHT13
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS14
the atoms involved in each of the contacts you wish to calculate
=54,2479
SWITCH14
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.791508674621582}
WEIGHT14
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS15
the atoms involved in each of the contacts you wish to calculate
=54,2481
SWITCH15
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7106577754020691}
WEIGHT15
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS16
the atoms involved in each of the contacts you wish to calculate
=54,2484
SWITCH16
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6146672368049622}
WEIGHT16
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS17
the atoms involved in each of the contacts you wish to calculate
=54,2485
SWITCH17
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6655481457710266}
WEIGHT17
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS18
the atoms involved in each of the contacts you wish to calculate
=54,2487
SWITCH18
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6135570406913757}
WEIGHT18
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS19
the atoms involved in each of the contacts you wish to calculate
=54,2489
SWITCH19
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5041608810424805}
WEIGHT19
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS20
the atoms involved in each of the contacts you wish to calculate
=54,2491
SWITCH20
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44624415040016174}
WEIGHT20
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS21
the atoms involved in each of the contacts you wish to calculate
=54,2493
SWITCH21
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.505925178527832}
WEIGHT21
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS22
the atoms involved in each of the contacts you wish to calculate
=54,2568
SWITCH22
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8161230087280273}
WEIGHT22
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS23
the atoms involved in each of the contacts you wish to calculate
=54,2570
SWITCH23
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9149656891822815}
WEIGHT23
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS24
the atoms involved in each of the contacts you wish to calculate
=54,2573
SWITCH24
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8856492638587952}
WEIGHT24
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS25
the atoms involved in each of the contacts you wish to calculate
=54,2575
SWITCH25
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0234590768814087}
WEIGHT25
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS26
the atoms involved in each of the contacts you wish to calculate
=54,2579
SWITCH26
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7981535196304321}
WEIGHT26
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS27
the atoms involved in each of the contacts you wish to calculate
=54,2623
SWITCH27
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6928781867027283}
WEIGHT27
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS28
the atoms involved in each of the contacts you wish to calculate
=54,2625
SWITCH28
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6475754976272583}
WEIGHT28
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS29
the atoms involved in each of the contacts you wish to calculate
=54,2627
SWITCH29
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5035719275474548}
WEIGHT29
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS30
the atoms involved in each of the contacts you wish to calculate
=54,2631
SWITCH30
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7371729612350464}
WEIGHT30
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS31
the atoms involved in each of the contacts you wish to calculate
=56,650
SWITCH31
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2154098749160767}
WEIGHT31
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS32
the atoms involved in each of the contacts you wish to calculate
=56,652
SWITCH32
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2258117198944092}
WEIGHT32
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS33
the atoms involved in each of the contacts you wish to calculate
=56,655
SWITCH33
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.198154330253601}
WEIGHT33
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS34
the atoms involved in each of the contacts you wish to calculate
=56,656
SWITCH34
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.071199655532837}
WEIGHT34
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS35
the atoms involved in each of the contacts you wish to calculate
=56,658
SWITCH35
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0686819553375244}
WEIGHT35
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS36
the atoms involved in each of the contacts you wish to calculate
=56,660
SWITCH36
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1943490505218506}
WEIGHT36
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS37
the atoms involved in each of the contacts you wish to calculate
=56,661
SWITCH37
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2240328788757324}
WEIGHT37
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS38
the atoms involved in each of the contacts you wish to calculate
=56,663
SWITCH38
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.311773657798767}
WEIGHT38
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS39
the atoms involved in each of the contacts you wish to calculate
=56,665
SWITCH39
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3099215030670166}
WEIGHT39
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS40
the atoms involved in each of the contacts you wish to calculate
=56,697
SWITCH40
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1908018589019775}
WEIGHT40
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS41
the atoms involved in each of the contacts you wish to calculate
=56,699
SWITCH41
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0531564950942993}
WEIGHT41
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS42
the atoms involved in each of the contacts you wish to calculate
=56,701
SWITCH42
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9550927877426147}
WEIGHT42
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS43
the atoms involved in each of the contacts you wish to calculate
=56,705
SWITCH43
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.015113353729248}
WEIGHT43
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS44
the atoms involved in each of the contacts you wish to calculate
=56,2479
SWITCH44
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7233849167823792}
WEIGHT44
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS45
the atoms involved in each of the contacts you wish to calculate
=56,2481
SWITCH45
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6475988030433655}
WEIGHT45
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS46
the atoms involved in each of the contacts you wish to calculate
=56,2484
SWITCH46
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5807527899742126}
WEIGHT46
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS47
the atoms involved in each of the contacts you wish to calculate
=56,2485
SWITCH47
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6570329666137695}
WEIGHT47
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS48
the atoms involved in each of the contacts you wish to calculate
=56,2487
SWITCH48
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6371328234672546}
WEIGHT48
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS49
the atoms involved in each of the contacts you wish to calculate
=56,2489
SWITCH49
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5446047782897949}
WEIGHT49
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS50
the atoms involved in each of the contacts you wish to calculate
=56,2491
SWITCH50
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46060168743133545}
WEIGHT50
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS51
the atoms involved in each of the contacts you wish to calculate
=56,2493
SWITCH51
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47651466727256775}
WEIGHT51
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS52
the atoms involved in each of the contacts you wish to calculate
=56,2568
SWITCH52
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.694614052772522}
WEIGHT52
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS53
the atoms involved in each of the contacts you wish to calculate
=56,2570
SWITCH53
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8034761548042297}
WEIGHT53
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS54
the atoms involved in each of the contacts you wish to calculate
=56,2573
SWITCH54
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.786121129989624}
WEIGHT54
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS55
the atoms involved in each of the contacts you wish to calculate
=56,2575
SWITCH55
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9301324486732483}
WEIGHT55
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS56
the atoms involved in each of the contacts you wish to calculate
=56,2579
SWITCH56
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7184963822364807}
WEIGHT56
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS57
the atoms involved in each of the contacts you wish to calculate
=56,2623
SWITCH57
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6282786726951599}
WEIGHT57
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS58
the atoms involved in each of the contacts you wish to calculate
=56,2625
SWITCH58
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5954309701919556}
WEIGHT58
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS59
the atoms involved in each of the contacts you wish to calculate
=56,2627
SWITCH59
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452328085899353}
WEIGHT59
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS60
the atoms involved in each of the contacts you wish to calculate
=56,2631
SWITCH60
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6698104739189148}
WEIGHT60
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS61
the atoms involved in each of the contacts you wish to calculate
=58,650
SWITCH61
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1068532466888428}
WEIGHT61
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS62
the atoms involved in each of the contacts you wish to calculate
=58,652
SWITCH62
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.129375696182251}
WEIGHT62
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS63
the atoms involved in each of the contacts you wish to calculate
=58,655
SWITCH63
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1018660068511963}
WEIGHT63
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS64
the atoms involved in each of the contacts you wish to calculate
=58,656
SWITCH64
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9743746519088745}
WEIGHT64
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS65
the atoms involved in each of the contacts you wish to calculate
=58,658
SWITCH65
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9759376049041748}
WEIGHT65
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS66
the atoms involved in each of the contacts you wish to calculate
=58,660
SWITCH66
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.103806495666504}
WEIGHT66
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS67
the atoms involved in each of the contacts you wish to calculate
=58,661
SWITCH67
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.136616826057434}
WEIGHT67
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS68
the atoms involved in each of the contacts you wish to calculate
=58,663
SWITCH68
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2190656661987305}
WEIGHT68
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS69
the atoms involved in each of the contacts you wish to calculate
=58,665
SWITCH69
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2151458263397217}
WEIGHT69
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS70
the atoms involved in each of the contacts you wish to calculate
=58,697
SWITCH70
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0472536087036133}
WEIGHT70
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS71
the atoms involved in each of the contacts you wish to calculate
=58,699
SWITCH71
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9132477641105652}
WEIGHT71
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS72
the atoms involved in each of the contacts you wish to calculate
=58,701
SWITCH72
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.810089647769928}
WEIGHT72
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS73
the atoms involved in each of the contacts you wish to calculate
=58,705
SWITCH73
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8793293833732605}
WEIGHT73
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS74
the atoms involved in each of the contacts you wish to calculate
=58,2479
SWITCH74
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6275546550750732}
WEIGHT74
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS75
the atoms involved in each of the contacts you wish to calculate
=58,2481
SWITCH75
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321964621543884}
WEIGHT75
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS76
the atoms involved in each of the contacts you wish to calculate
=58,2484
SWITCH76
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4766978323459625}
WEIGHT76
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS77
the atoms involved in each of the contacts you wish to calculate
=58,2485
SWITCH77
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.551134467124939}
WEIGHT77
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS78
the atoms involved in each of the contacts you wish to calculate
=58,2487
SWITCH78
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.549913763999939}
WEIGHT78
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS79
the atoms involved in each of the contacts you wish to calculate
=58,2489
SWITCH79
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48523950576782227}
WEIGHT79
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS80
the atoms involved in each of the contacts you wish to calculate
=58,2491
SWITCH80
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40989378094673157}
WEIGHT80
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS81
the atoms involved in each of the contacts you wish to calculate
=58,2493
SWITCH81
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39925074577331543}
WEIGHT81
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS82
the atoms involved in each of the contacts you wish to calculate
=58,2568
SWITCH82
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5655313730239868}
WEIGHT82
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS83
the atoms involved in each of the contacts you wish to calculate
=58,2570
SWITCH83
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.663913369178772}
WEIGHT83
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS84
the atoms involved in each of the contacts you wish to calculate
=58,2573
SWITCH84
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6409643292427063}
WEIGHT84
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS85
the atoms involved in each of the contacts you wish to calculate
=58,2575
SWITCH85
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7839983701705933}
WEIGHT85
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS86
the atoms involved in each of the contacts you wish to calculate
=58,2579
SWITCH86
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5671209096908569}
WEIGHT86
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS87
the atoms involved in each of the contacts you wish to calculate
=58,2623
SWITCH87
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5671552419662476}
WEIGHT87
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS88
the atoms involved in each of the contacts you wish to calculate
=58,2625
SWITCH88
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5086638927459717}
WEIGHT88
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS89
the atoms involved in each of the contacts you wish to calculate
=58,2627
SWITCH89
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36042720079421997}
WEIGHT89
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS90
the atoms involved in each of the contacts you wish to calculate
=58,2631
SWITCH90
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5572584867477417}
WEIGHT90
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS91
the atoms involved in each of the contacts you wish to calculate
=62,650
SWITCH91
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.354487657546997}
WEIGHT91
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS92
the atoms involved in each of the contacts you wish to calculate
=62,652
SWITCH92
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3677843809127808}
WEIGHT92
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS93
the atoms involved in each of the contacts you wish to calculate
=62,655
SWITCH93
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.334823489189148}
WEIGHT93
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS94
the atoms involved in each of the contacts you wish to calculate
=62,656
SWITCH94
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2048041820526123}
WEIGHT94
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS95
the atoms involved in each of the contacts you wish to calculate
=62,658
SWITCH95
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1944276094436646}
WEIGHT95
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS96
the atoms involved in each of the contacts you wish to calculate
=62,660
SWITCH96
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3159247636795044}
WEIGHT96
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS97
the atoms involved in each of the contacts you wish to calculate
=62,661
SWITCH97
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3359824419021606}
WEIGHT97
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS98
the atoms involved in each of the contacts you wish to calculate
=62,663
SWITCH98
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4379020929336548}
WEIGHT98
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS99
the atoms involved in each of the contacts you wish to calculate
=62,665
SWITCH99
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4431474208831787}
WEIGHT99
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS100
the atoms involved in each of the contacts you wish to calculate
=62,697
SWITCH100
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2975057363510132}
WEIGHT100
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS101
the atoms involved in each of the contacts you wish to calculate
=62,699
SWITCH101
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1654417514801025}
WEIGHT101
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS102
the atoms involved in each of the contacts you wish to calculate
=62,701
SWITCH102
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0563324689865112}
WEIGHT102
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS103
the atoms involved in each of the contacts you wish to calculate
=62,705
SWITCH103
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1341760158538818}
WEIGHT103
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS104
the atoms involved in each of the contacts you wish to calculate
=62,2479
SWITCH104
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7048642039299011}
WEIGHT104
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS105
the atoms involved in each of the contacts you wish to calculate
=62,2481
SWITCH105
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6594332456588745}
WEIGHT105
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS106
the atoms involved in each of the contacts you wish to calculate
=62,2484
SWITCH106
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6096537709236145}
WEIGHT106
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS107
the atoms involved in each of the contacts you wish to calculate
=62,2485
SWITCH107
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7080790996551514}
WEIGHT107
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS108
the atoms involved in each of the contacts you wish to calculate
=62,2487
SWITCH108
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7031228542327881}
WEIGHT108
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS109
the atoms involved in each of the contacts you wish to calculate
=62,2489
SWITCH109
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6062591075897217}
WEIGHT109
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS110
the atoms involved in each of the contacts you wish to calculate
=62,2491
SWITCH110
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4959251284599304}
WEIGHT110
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS111
the atoms involved in each of the contacts you wish to calculate
=62,2493
SWITCH111
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4925505816936493}
WEIGHT111
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS112
the atoms involved in each of the contacts you wish to calculate
=62,2568
SWITCH112
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7281160354614258}
WEIGHT112
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS113
the atoms involved in each of the contacts you wish to calculate
=62,2570
SWITCH113
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8397489190101624}
WEIGHT113
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS114
the atoms involved in each of the contacts you wish to calculate
=62,2573
SWITCH114
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8220794796943665}
WEIGHT114
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS115
the atoms involved in each of the contacts you wish to calculate
=62,2575
SWITCH115
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9645364880561829}
WEIGHT115
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS116
the atoms involved in each of the contacts you wish to calculate
=62,2579
SWITCH116
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7776408791542053}
WEIGHT116
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS117
the atoms involved in each of the contacts you wish to calculate
=62,2623
SWITCH117
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7314549088478088}
WEIGHT117
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS118
the atoms involved in each of the contacts you wish to calculate
=62,2625
SWITCH118
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7140519618988037}
WEIGHT118
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS119
the atoms involved in each of the contacts you wish to calculate
=62,2627
SWITCH119
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5770829319953918}
WEIGHT119
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS120
the atoms involved in each of the contacts you wish to calculate
=62,2631
SWITCH120
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7765940427780151}
WEIGHT120
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS121
the atoms involved in each of the contacts you wish to calculate
=65,650
SWITCH121
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4116805791854858}
WEIGHT121
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS122
the atoms involved in each of the contacts you wish to calculate
=65,652
SWITCH122
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4393600225448608}
WEIGHT122
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS123
the atoms involved in each of the contacts you wish to calculate
=65,655
SWITCH123
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4169096946716309}
WEIGHT123
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS124
the atoms involved in each of the contacts you wish to calculate
=65,656
SWITCH124
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2902660369873047}
WEIGHT124
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS125
the atoms involved in each of the contacts you wish to calculate
=65,658
SWITCH125
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2903800010681152}
WEIGHT125
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS126
the atoms involved in each of the contacts you wish to calculate
=65,660
SWITCH126
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4162278175354004}
WEIGHT126
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS127
the atoms involved in each of the contacts you wish to calculate
=65,661
SWITCH127
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4425325393676758}
WEIGHT127
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS128
the atoms involved in each of the contacts you wish to calculate
=65,663
SWITCH128
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.5338178873062134}
WEIGHT128
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS129
the atoms involved in each of the contacts you wish to calculate
=65,665
SWITCH129
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.5310858488082886}
WEIGHT129
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS130
the atoms involved in each of the contacts you wish to calculate
=65,697
SWITCH130
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3220356702804565}
WEIGHT130
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS131
the atoms involved in each of the contacts you wish to calculate
=65,699
SWITCH131
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1986850500106812}
WEIGHT131
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS132
the atoms involved in each of the contacts you wish to calculate
=65,701
SWITCH132
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.088498830795288}
WEIGHT132
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS133
the atoms involved in each of the contacts you wish to calculate
=65,705
SWITCH133
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1592966318130493}
WEIGHT133
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS134
the atoms involved in each of the contacts you wish to calculate
=65,2479
SWITCH134
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6053969264030457}
WEIGHT134
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS135
the atoms involved in each of the contacts you wish to calculate
=65,2481
SWITCH135
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5823349952697754}
WEIGHT135
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS136
the atoms involved in each of the contacts you wish to calculate
=65,2484
SWITCH136
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5270158052444458}
WEIGHT136
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS137
the atoms involved in each of the contacts you wish to calculate
=65,2485
SWITCH137
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6320711374282837}
WEIGHT137
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS138
the atoms involved in each of the contacts you wish to calculate
=65,2487
SWITCH138
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6308293342590332}
WEIGHT138
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS139
the atoms involved in each of the contacts you wish to calculate
=65,2489
SWITCH139
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5300132632255554}
WEIGHT139
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS140
the atoms involved in each of the contacts you wish to calculate
=65,2491
SWITCH140
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4038487672805786}
WEIGHT140
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS141
the atoms involved in each of the contacts you wish to calculate
=65,2493
SWITCH141
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3975047171115875}
WEIGHT141
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS142
the atoms involved in each of the contacts you wish to calculate
=65,2568
SWITCH142
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7685105800628662}
WEIGHT142
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS143
the atoms involved in each of the contacts you wish to calculate
=65,2570
SWITCH143
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8603217601776123}
WEIGHT143
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS144
the atoms involved in each of the contacts you wish to calculate
=65,2573
SWITCH144
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8178876638412476}
WEIGHT144
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS145
the atoms involved in each of the contacts you wish to calculate
=65,2575
SWITCH145
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9487403035163879}
WEIGHT145
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS146
the atoms involved in each of the contacts you wish to calculate
=65,2579
SWITCH146
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7745791673660278}
WEIGHT146
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS147
the atoms involved in each of the contacts you wish to calculate
=65,2623
SWITCH147
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8527284860610962}
WEIGHT147
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS148
the atoms involved in each of the contacts you wish to calculate
=65,2625
SWITCH148
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8166882395744324}
WEIGHT148
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS149
the atoms involved in each of the contacts you wish to calculate
=65,2627
SWITCH149
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.672263503074646}
WEIGHT149
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS150
the atoms involved in each of the contacts you wish to calculate
=65,2631
SWITCH150
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8629679679870605}
WEIGHT150
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS151
the atoms involved in each of the contacts you wish to calculate
=73,650
SWITCH151
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9309435486793518}
WEIGHT151
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS152
the atoms involved in each of the contacts you wish to calculate
=73,652
SWITCH152
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9082626700401306}
WEIGHT152
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS153
the atoms involved in each of the contacts you wish to calculate
=73,655
SWITCH153
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9031504392623901}
WEIGHT153
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS154
the atoms involved in each of the contacts you wish to calculate
=73,656
SWITCH154
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.800478458404541}
WEIGHT154
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS155
the atoms involved in each of the contacts you wish to calculate
=73,658
SWITCH155
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8262046575546265}
WEIGHT155
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS156
the atoms involved in each of the contacts you wish to calculate
=73,660
SWITCH156
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9544553756713867}
WEIGHT156
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS157
the atoms involved in each of the contacts you wish to calculate
=73,661
SWITCH157
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0169137716293335}
WEIGHT157
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS158
the atoms involved in each of the contacts you wish to calculate
=73,663
SWITCH158
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0473077297210693}
WEIGHT158
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS159
the atoms involved in each of the contacts you wish to calculate
=73,665
SWITCH159
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0195348262786865}
WEIGHT159
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS160
the atoms involved in each of the contacts you wish to calculate
=73,697
SWITCH160
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0869590044021606}
WEIGHT160
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS161
the atoms involved in each of the contacts you wish to calculate
=73,699
SWITCH161
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9369574785232544}
WEIGHT161
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS162
the atoms involved in each of the contacts you wish to calculate
=73,701
SWITCH162
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8988440632820129}
WEIGHT162
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS163
the atoms involved in each of the contacts you wish to calculate
=73,705
SWITCH163
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8754950165748596}
WEIGHT163
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS164
the atoms involved in each of the contacts you wish to calculate
=73,2479
SWITCH164
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0344990491867065}
WEIGHT164
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS165
the atoms involved in each of the contacts you wish to calculate
=73,2481
SWITCH165
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9126667976379395}
WEIGHT165
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS166
the atoms involved in each of the contacts you wish to calculate
=73,2484
SWITCH166
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8167228102684021}
WEIGHT166
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS167
the atoms involved in each of the contacts you wish to calculate
=73,2485
SWITCH167
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8182058334350586}
WEIGHT167
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS168
the atoms involved in each of the contacts you wish to calculate
=73,2487
SWITCH168
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7491015195846558}
WEIGHT168
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS169
the atoms involved in each of the contacts you wish to calculate
=73,2489
SWITCH169
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6819535493850708}
WEIGHT169
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS170
the atoms involved in each of the contacts you wish to calculate
=73,2491
SWITCH170
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6930801868438721}
WEIGHT170
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS171
the atoms involved in each of the contacts you wish to calculate
=73,2493
SWITCH171
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7579741477966309}
WEIGHT171
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS172
the atoms involved in each of the contacts you wish to calculate
=73,2568
SWITCH172
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8844940066337585}
WEIGHT172
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS173
the atoms involved in each of the contacts you wish to calculate
=73,2570
SWITCH173
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9762383103370667}
WEIGHT173
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS174
the atoms involved in each of the contacts you wish to calculate
=73,2573
SWITCH174
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9711946845054626}
WEIGHT174
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS175
the atoms involved in each of the contacts you wish to calculate
=73,2575
SWITCH175
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1013449430465698}
WEIGHT175
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS176
the atoms involved in each of the contacts you wish to calculate
=73,2579
SWITCH176
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8563979864120483}
WEIGHT176
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS177
the atoms involved in each of the contacts you wish to calculate
=73,2623
SWITCH177
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5388705730438232}
WEIGHT177
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS178
the atoms involved in each of the contacts you wish to calculate
=73,2625
SWITCH178
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48216524720191956}
WEIGHT178
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS179
the atoms involved in each of the contacts you wish to calculate
=73,2627
SWITCH179
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.395525187253952}
WEIGHT179
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS180
the atoms involved in each of the contacts you wish to calculate
=73,2631
SWITCH180
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6100140810012817}
WEIGHT180
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS181
the atoms involved in each of the contacts you wish to calculate
=75,650
SWITCH181
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9557713270187378}
WEIGHT181
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS182
the atoms involved in each of the contacts you wish to calculate
=75,652
SWITCH182
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9094404578208923}
WEIGHT182
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS183
the atoms involved in each of the contacts you wish to calculate
=75,655
SWITCH183
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8884962201118469}
WEIGHT183
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS184
the atoms involved in each of the contacts you wish to calculate
=75,656
SWITCH184
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7862153649330139}
WEIGHT184
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS185
the atoms involved in each of the contacts you wish to calculate
=75,658
SWITCH185
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7945192456245422}
WEIGHT185
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS186
the atoms involved in each of the contacts you wish to calculate
=75,660
SWITCH186
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9109082818031311}
WEIGHT186
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS187
the atoms involved in each of the contacts you wish to calculate
=75,661
SWITCH187
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9635561108589172}
WEIGHT187
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS188
the atoms involved in each of the contacts you wish to calculate
=75,663
SWITCH188
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0070005655288696}
WEIGHT188
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS189
the atoms involved in each of the contacts you wish to calculate
=75,665
SWITCH189
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9915522933006287}
WEIGHT189
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS190
the atoms involved in each of the contacts you wish to calculate
=75,697
SWITCH190
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1489417552947998}
WEIGHT190
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS191
the atoms involved in each of the contacts you wish to calculate
=75,699
SWITCH191
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9966095089912415}
WEIGHT191
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS192
the atoms involved in each of the contacts you wish to calculate
=75,701
SWITCH192
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9612875580787659}
WEIGHT192
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS193
the atoms involved in each of the contacts you wish to calculate
=75,705
SWITCH193
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9491009712219238}
WEIGHT193
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS194
the atoms involved in each of the contacts you wish to calculate
=75,2479
SWITCH194
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.15557861328125}
WEIGHT194
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS195
the atoms involved in each of the contacts you wish to calculate
=75,2481
SWITCH195
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0345193147659302}
WEIGHT195
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS196
the atoms involved in each of the contacts you wish to calculate
=75,2484
SWITCH196
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9492130875587463}
WEIGHT196
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS197
the atoms involved in each of the contacts you wish to calculate
=75,2485
SWITCH197
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9583811163902283}
WEIGHT197
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS198
the atoms involved in each of the contacts you wish to calculate
=75,2487
SWITCH198
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8964009284973145}
WEIGHT198
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS199
the atoms involved in each of the contacts you wish to calculate
=75,2489
SWITCH199
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8301289677619934}
WEIGHT199
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS200
the atoms involved in each of the contacts you wish to calculate
=75,2491
SWITCH200
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.832676112651825}
WEIGHT200
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS201
the atoms involved in each of the contacts you wish to calculate
=75,2493
SWITCH201
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8890749216079712}
WEIGHT201
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS202
the atoms involved in each of the contacts you wish to calculate
=75,2568
SWITCH202
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9343194961547852}
WEIGHT202
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS203
the atoms involved in each of the contacts you wish to calculate
=75,2570
SWITCH203
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0376794338226318}
WEIGHT203
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS204
the atoms involved in each of the contacts you wish to calculate
=75,2573
SWITCH204
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0528762340545654}
WEIGHT204
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS205
the atoms involved in each of the contacts you wish to calculate
=75,2575
SWITCH205
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.186965823173523}
WEIGHT205
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS206
the atoms involved in each of the contacts you wish to calculate
=75,2579
SWITCH206
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9479856491088867}
WEIGHT206
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS207
the atoms involved in each of the contacts you wish to calculate
=75,2623
SWITCH207
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49890923500061035}
WEIGHT207
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS208
the atoms involved in each of the contacts you wish to calculate
=75,2625
SWITCH208
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4806707203388214}
WEIGHT208
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS209
the atoms involved in each of the contacts you wish to calculate
=75,2627
SWITCH209
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4315405786037445}
WEIGHT209
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS210
the atoms involved in each of the contacts you wish to calculate
=75,2631
SWITCH210
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6263275146484375}
WEIGHT210
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS211
the atoms involved in each of the contacts you wish to calculate
=78,650
SWITCH211
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8566506505012512}
WEIGHT211
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS212
the atoms involved in each of the contacts you wish to calculate
=78,652
SWITCH212
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7954189777374268}
WEIGHT212
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS213
the atoms involved in each of the contacts you wish to calculate
=78,655
SWITCH213
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.779197633266449}
WEIGHT213
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS214
the atoms involved in each of the contacts you wish to calculate
=78,656
SWITCH214
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6903489828109741}
WEIGHT214
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS215
the atoms involved in each of the contacts you wish to calculate
=78,658
SWITCH215
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7073019742965698}
WEIGHT215
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS216
the atoms involved in each of the contacts you wish to calculate
=78,660
SWITCH216
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8185909986495972}
WEIGHT216
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS217
the atoms involved in each of the contacts you wish to calculate
=78,661
SWITCH217
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8821538686752319}
WEIGHT217
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS218
the atoms involved in each of the contacts you wish to calculate
=78,663
SWITCH218
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9021505117416382}
WEIGHT218
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS219
the atoms involved in each of the contacts you wish to calculate
=78,665
SWITCH219
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8788227438926697}
WEIGHT219
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS220
the atoms involved in each of the contacts you wish to calculate
=78,697
SWITCH220
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1063374280929565}
WEIGHT220
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS221
the atoms involved in each of the contacts you wish to calculate
=78,699
SWITCH221
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9565300941467285}
WEIGHT221
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS222
the atoms involved in each of the contacts you wish to calculate
=78,701
SWITCH222
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9421437382698059}
WEIGHT222
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS223
the atoms involved in each of the contacts you wish to calculate
=78,705
SWITCH223
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9087143540382385}
WEIGHT223
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS224
the atoms involved in each of the contacts you wish to calculate
=78,2479
SWITCH224
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2466806173324585}
WEIGHT224
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS225
the atoms involved in each of the contacts you wish to calculate
=78,2481
SWITCH225
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1162512302398682}
WEIGHT225
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS226
the atoms involved in each of the contacts you wish to calculate
=78,2484
SWITCH226
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.032570719718933}
WEIGHT226
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS227
the atoms involved in each of the contacts you wish to calculate
=78,2485
SWITCH227
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.026920199394226}
WEIGHT227
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS228
the atoms involved in each of the contacts you wish to calculate
=78,2487
SWITCH228
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9632880091667175}
WEIGHT228
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS229
the atoms involved in each of the contacts you wish to calculate
=78,2489
SWITCH229
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9124829173088074}
WEIGHT229
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS230
the atoms involved in each of the contacts you wish to calculate
=78,2491
SWITCH230
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9318563342094421}
WEIGHT230
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS231
the atoms involved in each of the contacts you wish to calculate
=78,2493
SWITCH231
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9879124760627747}
WEIGHT231
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS232
the atoms involved in each of the contacts you wish to calculate
=78,2568
SWITCH232
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9894007444381714}
WEIGHT232
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS233
the atoms involved in each of the contacts you wish to calculate
=78,2570
SWITCH233
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0825958251953125}
WEIGHT233
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS234
the atoms involved in each of the contacts you wish to calculate
=78,2573
SWITCH234
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1024270057678223}
WEIGHT234
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS235
the atoms involved in each of the contacts you wish to calculate
=78,2575
SWITCH235
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2279303073883057}
WEIGHT235
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS236
the atoms involved in each of the contacts you wish to calculate
=78,2579
SWITCH236
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9914906024932861}
WEIGHT236
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS237
the atoms involved in each of the contacts you wish to calculate
=78,2623
SWITCH237
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5147303938865662}
WEIGHT237
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS238
the atoms involved in each of the contacts you wish to calculate
=78,2625
SWITCH238
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48978909850120544}
WEIGHT238
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS239
the atoms involved in each of the contacts you wish to calculate
=78,2627
SWITCH239
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4794395864009857}
WEIGHT239
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS240
the atoms involved in each of the contacts you wish to calculate
=78,2631
SWITCH240
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6308432221412659}
WEIGHT240
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS241
the atoms involved in each of the contacts you wish to calculate
=79,650
SWITCH241
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7754189372062683}
WEIGHT241
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS242
the atoms involved in each of the contacts you wish to calculate
=79,652
SWITCH242
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7017617225646973}
WEIGHT242
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS243
the atoms involved in each of the contacts you wish to calculate
=79,655
SWITCH243
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6671515703201294}
WEIGHT243
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS244
the atoms involved in each of the contacts you wish to calculate
=79,656
SWITCH244
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750181674957275}
WEIGHT244
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS245
the atoms involved in each of the contacts you wish to calculate
=79,658
SWITCH245
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793154835700989}
WEIGHT245
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS246
the atoms involved in each of the contacts you wish to calculate
=79,660
SWITCH246
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.684518575668335}
WEIGHT246
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS247
the atoms involved in each of the contacts you wish to calculate
=79,661
SWITCH247
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7448719143867493}
WEIGHT247
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS248
the atoms involved in each of the contacts you wish to calculate
=79,663
SWITCH248
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.771101713180542}
WEIGHT248
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS249
the atoms involved in each of the contacts you wish to calculate
=79,665
SWITCH249
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7575629353523254}
WEIGHT249
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS250
the atoms involved in each of the contacts you wish to calculate
=79,697
SWITCH250
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0357543230056763}
WEIGHT250
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS251
the atoms involved in each of the contacts you wish to calculate
=79,699
SWITCH251
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8874210715293884}
WEIGHT251
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS252
the atoms involved in each of the contacts you wish to calculate
=79,701
SWITCH252
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8769866228103638}
WEIGHT252
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS253
the atoms involved in each of the contacts you wish to calculate
=79,705
SWITCH253
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8558913469314575}
WEIGHT253
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS254
the atoms involved in each of the contacts you wish to calculate
=79,2479
SWITCH254
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2742069959640503}
WEIGHT254
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS255
the atoms involved in each of the contacts you wish to calculate
=79,2481
SWITCH255
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1387840509414673}
WEIGHT255
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS256
the atoms involved in each of the contacts you wish to calculate
=79,2484
SWITCH256
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.069981575012207}
WEIGHT256
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS257
the atoms involved in each of the contacts you wish to calculate
=79,2485
SWITCH257
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0656366348266602}
WEIGHT257
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS258
the atoms involved in each of the contacts you wish to calculate
=79,2487
SWITCH258
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0160815715789795}
WEIGHT258
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS259
the atoms involved in each of the contacts you wish to calculate
=79,2489
SWITCH259
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.980177104473114}
WEIGHT259
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS260
the atoms involved in each of the contacts you wish to calculate
=79,2491
SWITCH260
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9979470372200012}
WEIGHT260
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS261
the atoms involved in each of the contacts you wish to calculate
=79,2493
SWITCH261
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0383280515670776}
WEIGHT261
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS262
the atoms involved in each of the contacts you wish to calculate
=79,2568
SWITCH262
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9466512799263}
WEIGHT262
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS263
the atoms involved in each of the contacts you wish to calculate
=79,2570
SWITCH263
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0373796224594116}
WEIGHT263
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS264
the atoms involved in each of the contacts you wish to calculate
=79,2573
SWITCH264
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0720549821853638}
WEIGHT264
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS265
the atoms involved in each of the contacts you wish to calculate
=79,2575
SWITCH265
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.193489670753479}
WEIGHT265
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS266
the atoms involved in each of the contacts you wish to calculate
=79,2579
SWITCH266
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9678182601928711}
WEIGHT266
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS267
the atoms involved in each of the contacts you wish to calculate
=79,2623
SWITCH267
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43549710512161255}
WEIGHT267
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS268
the atoms involved in each of the contacts you wish to calculate
=79,2625
SWITCH268
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42063960433006287}
WEIGHT268
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS269
the atoms involved in each of the contacts you wish to calculate
=79,2627
SWITCH269
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45383113622665405}
WEIGHT269
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS270
the atoms involved in each of the contacts you wish to calculate
=79,2631
SWITCH270
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5564976930618286}
WEIGHT270
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS271
the atoms involved in each of the contacts you wish to calculate
=81,650
SWITCH271
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7221040725708008}
WEIGHT271
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS272
the atoms involved in each of the contacts you wish to calculate
=81,652
SWITCH272
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6284149289131165}
WEIGHT272
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS273
the atoms involved in each of the contacts you wish to calculate
=81,655
SWITCH273
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5999292135238647}
WEIGHT273
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS274
the atoms involved in each of the contacts you wish to calculate
=81,656
SWITCH274
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5315840244293213}
WEIGHT274
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS275
the atoms involved in each of the contacts you wish to calculate
=81,658
SWITCH275
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545782208442688}
WEIGHT275
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS276
the atoms involved in each of the contacts you wish to calculate
=81,660
SWITCH276
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6372515559196472}
WEIGHT276
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS277
the atoms involved in each of the contacts you wish to calculate
=81,661
SWITCH277
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.708910346031189}
WEIGHT277
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS278
the atoms involved in each of the contacts you wish to calculate
=81,663
SWITCH278
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7040637135505676}
WEIGHT278
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS279
the atoms involved in each of the contacts you wish to calculate
=81,665
SWITCH279
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6811647415161133}
WEIGHT279
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS280
the atoms involved in each of the contacts you wish to calculate
=81,697
SWITCH280
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0424482822418213}
WEIGHT280
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS281
the atoms involved in each of the contacts you wish to calculate
=81,699
SWITCH281
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9012321829795837}
WEIGHT281
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS282
the atoms involved in each of the contacts you wish to calculate
=81,701
SWITCH282
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9126427173614502}
WEIGHT282
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS283
the atoms involved in each of the contacts you wish to calculate
=81,705
SWITCH283
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8698651194572449}
WEIGHT283
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS284
the atoms involved in each of the contacts you wish to calculate
=81,2479
SWITCH284
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3852286338806152}
WEIGHT284
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS285
the atoms involved in each of the contacts you wish to calculate
=81,2481
SWITCH285
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2452101707458496}
WEIGHT285
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS286
the atoms involved in each of the contacts you wish to calculate
=81,2484
SWITCH286
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1761393547058105}
WEIGHT286
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS287
the atoms involved in each of the contacts you wish to calculate
=81,2485
SWITCH287
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1606122255325317}
WEIGHT287
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS288
the atoms involved in each of the contacts you wish to calculate
=81,2487
SWITCH288
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1081088781356812}
WEIGHT288
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS289
the atoms involved in each of the contacts you wish to calculate
=81,2489
SWITCH289
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0811302661895752}
WEIGHT289
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS290
the atoms involved in each of the contacts you wish to calculate
=81,2491
SWITCH290
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.110593318939209}
WEIGHT290
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS291
the atoms involved in each of the contacts you wish to calculate
=81,2493
SWITCH291
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1534264087677002}
WEIGHT291
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS292
the atoms involved in each of the contacts you wish to calculate
=81,2568
SWITCH292
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0436205863952637}
WEIGHT292
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS293
the atoms involved in each of the contacts you wish to calculate
=81,2570
SWITCH293
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1244854927062988}
WEIGHT293
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS294
the atoms involved in each of the contacts you wish to calculate
=81,2573
SWITCH294
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1611239910125732}
WEIGHT294
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS295
the atoms involved in each of the contacts you wish to calculate
=81,2575
SWITCH295
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.27351975440979}
WEIGHT295
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS296
the atoms involved in each of the contacts you wish to calculate
=81,2579
SWITCH296
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0538326501846313}
WEIGHT296
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS297
the atoms involved in each of the contacts you wish to calculate
=81,2623
SWITCH297
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294727683067322}
WEIGHT297
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS298
the atoms involved in each of the contacts you wish to calculate
=81,2625
SWITCH298
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.512668788433075}
WEIGHT298
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS299
the atoms involved in each of the contacts you wish to calculate
=81,2627
SWITCH299
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677062273025513}
WEIGHT299
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS300
the atoms involved in each of the contacts you wish to calculate
=81,2631
SWITCH300
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6317002177238464}
WEIGHT300
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS301
the atoms involved in each of the contacts you wish to calculate
=83,650
SWITCH301
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7567639350891113}
WEIGHT301
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS302
the atoms involved in each of the contacts you wish to calculate
=83,652
SWITCH302
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.660020112991333}
WEIGHT302
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS303
the atoms involved in each of the contacts you wish to calculate
=83,655
SWITCH303
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.658077597618103}
WEIGHT303
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS304
the atoms involved in each of the contacts you wish to calculate
=83,656
SWITCH304
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6139795184135437}
WEIGHT304
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS305
the atoms involved in each of the contacts you wish to calculate
=83,658
SWITCH305
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6478961110115051}
WEIGHT305
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS306
the atoms involved in each of the contacts you wish to calculate
=83,660
SWITCH306
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7335739731788635}
WEIGHT306
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS307
the atoms involved in each of the contacts you wish to calculate
=83,661
SWITCH307
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8154194355010986}
WEIGHT307
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS308
the atoms involved in each of the contacts you wish to calculate
=83,663
SWITCH308
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7802172303199768}
WEIGHT308
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS309
the atoms involved in each of the contacts you wish to calculate
=83,665
SWITCH309
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7394839525222778}
WEIGHT309
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS310
the atoms involved in each of the contacts you wish to calculate
=83,697
SWITCH310
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1171554327011108}
WEIGHT310
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS311
the atoms involved in each of the contacts you wish to calculate
=83,699
SWITCH311
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9806197881698608}
WEIGHT311
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS312
the atoms involved in each of the contacts you wish to calculate
=83,701
SWITCH312
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0061144828796387}
WEIGHT312
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS313
the atoms involved in each of the contacts you wish to calculate
=83,705
SWITCH313
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9345998764038086}
WEIGHT313
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS314
the atoms involved in each of the contacts you wish to calculate
=83,2479
SWITCH314
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.466135859489441}
WEIGHT314
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS315
the atoms involved in each of the contacts you wish to calculate
=83,2481
SWITCH315
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3258153200149536}
WEIGHT315
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS316
the atoms involved in each of the contacts you wish to calculate
=83,2484
SWITCH316
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2447415590286255}
WEIGHT316
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS317
the atoms involved in each of the contacts you wish to calculate
=83,2485
SWITCH317
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2184197902679443}
WEIGHT317
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS318
the atoms involved in each of the contacts you wish to calculate
=83,2487
SWITCH318
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1522496938705444}
WEIGHT318
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS319
the atoms involved in each of the contacts you wish to calculate
=83,2489
SWITCH319
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.121885061264038}
WEIGHT319
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS320
the atoms involved in each of the contacts you wish to calculate
=83,2491
SWITCH320
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.162964105606079}
WEIGHT320
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS321
the atoms involved in each of the contacts you wish to calculate
=83,2493
SWITCH321
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.219750165939331}
WEIGHT321
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS322
the atoms involved in each of the contacts you wish to calculate
=83,2568
SWITCH322
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1667243242263794}
WEIGHT322
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS323
the atoms involved in each of the contacts you wish to calculate
=83,2570
SWITCH323
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2427983283996582}
WEIGHT323
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS324
the atoms involved in each of the contacts you wish to calculate
=83,2573
SWITCH324
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2692457437515259}
WEIGHT324
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS325
the atoms involved in each of the contacts you wish to calculate
=83,2575
SWITCH325
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3783092498779297}
WEIGHT325
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS326
the atoms involved in each of the contacts you wish to calculate
=83,2579
SWITCH326
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1534093618392944}
WEIGHT326
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS327
the atoms involved in each of the contacts you wish to calculate
=83,2623
SWITCH327
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6664283871650696}
WEIGHT327
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS328
the atoms involved in each of the contacts you wish to calculate
=83,2625
SWITCH328
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6408188343048096}
WEIGHT328
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS329
the atoms involved in each of the contacts you wish to calculate
=83,2627
SWITCH329
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6807906031608582}
WEIGHT329
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS330
the atoms involved in each of the contacts you wish to calculate
=83,2631
SWITCH330
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7577747702598572}
WEIGHT330
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS331
the atoms involved in each of the contacts you wish to calculate
=84,650
SWITCH331
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7489091157913208}
WEIGHT331
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS332
the atoms involved in each of the contacts you wish to calculate
=84,652
SWITCH332
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.634943962097168}
WEIGHT332
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS333
the atoms involved in each of the contacts you wish to calculate
=84,655
SWITCH333
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6382222175598145}
WEIGHT333
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS334
the atoms involved in each of the contacts you wish to calculate
=84,656
SWITCH334
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6211105585098267}
WEIGHT334
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS335
the atoms involved in each of the contacts you wish to calculate
=84,658
SWITCH335
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6585385799407959}
WEIGHT335
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS336
the atoms involved in each of the contacts you wish to calculate
=84,660
SWITCH336
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7242143750190735}
WEIGHT336
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS337
the atoms involved in each of the contacts you wish to calculate
=84,661
SWITCH337
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8102027773857117}
WEIGHT337
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS338
the atoms involved in each of the contacts you wish to calculate
=84,663
SWITCH338
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7491664886474609}
WEIGHT338
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS339
the atoms involved in each of the contacts you wish to calculate
=84,665
SWITCH339
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7025509476661682}
WEIGHT339
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS340
the atoms involved in each of the contacts you wish to calculate
=84,697
SWITCH340
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1520562171936035}
WEIGHT340
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS341
the atoms involved in each of the contacts you wish to calculate
=84,699
SWITCH341
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0246309041976929}
WEIGHT341
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS342
the atoms involved in each of the contacts you wish to calculate
=84,701
SWITCH342
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0658600330352783}
WEIGHT342
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS343
the atoms involved in each of the contacts you wish to calculate
=84,705
SWITCH343
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9825854301452637}
WEIGHT343
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS344
the atoms involved in each of the contacts you wish to calculate
=84,2479
SWITCH344
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.5834206342697144}
WEIGHT344
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS345
the atoms involved in each of the contacts you wish to calculate
=84,2481
SWITCH345
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.440293788909912}
WEIGHT345
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS346
the atoms involved in each of the contacts you wish to calculate
=84,2484
SWITCH346
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3616539239883423}
WEIGHT346
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS347
the atoms involved in each of the contacts you wish to calculate
=84,2485
SWITCH347
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3292263746261597}
WEIGHT347
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS348
the atoms involved in each of the contacts you wish to calculate
=84,2487
SWITCH348
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2636436223983765}
WEIGHT348
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS349
the atoms involved in each of the contacts you wish to calculate
=84,2489
SWITCH349
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2405177354812622}
WEIGHT349
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS350
the atoms involved in each of the contacts you wish to calculate
=84,2491
SWITCH350
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2875696420669556}
WEIGHT350
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS351
the atoms involved in each of the contacts you wish to calculate
=84,2493
SWITCH351
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3434101343154907}
WEIGHT351
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS352
the atoms involved in each of the contacts you wish to calculate
=84,2568
SWITCH352
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2649725675582886}
WEIGHT352
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS353
the atoms involved in each of the contacts you wish to calculate
=84,2570
SWITCH353
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.33474862575531}
WEIGHT353
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS354
the atoms involved in each of the contacts you wish to calculate
=84,2573
SWITCH354
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3651251792907715}
WEIGHT354
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS355
the atoms involved in each of the contacts you wish to calculate
=84,2575
SWITCH355
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4672178030014038}
WEIGHT355
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS356
the atoms involved in each of the contacts you wish to calculate
=84,2579
SWITCH356
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.249820351600647}
WEIGHT356
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS357
the atoms involved in each of the contacts you wish to calculate
=84,2623
SWITCH357
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7613797187805176}
WEIGHT357
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS358
the atoms involved in each of the contacts you wish to calculate
=84,2625
SWITCH358
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7393909096717834}
WEIGHT358
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS359
the atoms involved in each of the contacts you wish to calculate
=84,2627
SWITCH359
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7952523231506348}
WEIGHT359
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS360
the atoms involved in each of the contacts you wish to calculate
=84,2631
SWITCH360
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8447737097740173}
WEIGHT360
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS361
the atoms involved in each of the contacts you wish to calculate
=86,650
SWITCH361
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8365533351898193}
WEIGHT361
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS362
the atoms involved in each of the contacts you wish to calculate
=86,652
SWITCH362
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7566362619400024}
WEIGHT362
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS363
the atoms involved in each of the contacts you wish to calculate
=86,655
SWITCH363
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7693386673927307}
WEIGHT363
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS364
the atoms involved in each of the contacts you wish to calculate
=86,656
SWITCH364
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7203338742256165}
WEIGHT364
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS365
the atoms involved in each of the contacts you wish to calculate
=86,658
SWITCH365
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7620297074317932}
WEIGHT365
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS366
the atoms involved in each of the contacts you wish to calculate
=86,660
SWITCH366
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8583394289016724}
WEIGHT366
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS367
the atoms involved in each of the contacts you wish to calculate
=86,661
SWITCH367
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9409445524215698}
WEIGHT367
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS368
the atoms involved in each of the contacts you wish to calculate
=86,663
SWITCH368
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9087017178535461}
WEIGHT368
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS369
the atoms involved in each of the contacts you wish to calculate
=86,665
SWITCH369
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8619062304496765}
WEIGHT369
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS370
the atoms involved in each of the contacts you wish to calculate
=86,697
SWITCH370
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1775916814804077}
WEIGHT370
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS371
the atoms involved in each of the contacts you wish to calculate
=86,699
SWITCH371
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0381981134414673}
WEIGHT371
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS372
the atoms involved in each of the contacts you wish to calculate
=86,701
SWITCH372
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0576645135879517}
WEIGHT372
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS373
the atoms involved in each of the contacts you wish to calculate
=86,705
SWITCH373
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9776394963264465}
WEIGHT373
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS374
the atoms involved in each of the contacts you wish to calculate
=86,2479
SWITCH374
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4355106353759766}
WEIGHT374
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS375
the atoms involved in each of the contacts you wish to calculate
=86,2481
SWITCH375
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2997370958328247}
WEIGHT375
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS376
the atoms involved in each of the contacts you wish to calculate
=86,2484
SWITCH376
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.206023931503296}
WEIGHT376
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS377
the atoms involved in each of the contacts you wish to calculate
=86,2485
SWITCH377
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1779578924179077}
WEIGHT377
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS378
the atoms involved in each of the contacts you wish to calculate
=86,2487
SWITCH378
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0994032621383667}
WEIGHT378
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS379
the atoms involved in each of the contacts you wish to calculate
=86,2489
SWITCH379
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.056915521621704}
WEIGHT379
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS380
the atoms involved in each of the contacts you wish to calculate
=86,2491
SWITCH380
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1004751920700073}
WEIGHT380
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS381
the atoms involved in each of the contacts you wish to calculate
=86,2493
SWITCH381
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1706470251083374}
WEIGHT381
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS382
the atoms involved in each of the contacts you wish to calculate
=86,2568
SWITCH382
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.195850133895874}
WEIGHT382
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS383
the atoms involved in each of the contacts you wish to calculate
=86,2570
SWITCH383
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2747060060501099}
WEIGHT383
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS384
the atoms involved in each of the contacts you wish to calculate
=86,2573
SWITCH384
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2885677814483643}
WEIGHT384
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS385
the atoms involved in each of the contacts you wish to calculate
=86,2575
SWITCH385
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.401716947555542}
WEIGHT385
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS386
the atoms involved in each of the contacts you wish to calculate
=86,2579
SWITCH386
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1668167114257812}
WEIGHT386
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS387
the atoms involved in each of the contacts you wish to calculate
=86,2623
SWITCH387
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7169845700263977}
WEIGHT387
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS388
the atoms involved in each of the contacts you wish to calculate
=86,2625
SWITCH388
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6834959983825684}
WEIGHT388
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS389
the atoms involved in each of the contacts you wish to calculate
=86,2627
SWITCH389
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.692775547504425}
WEIGHT389
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS390
the atoms involved in each of the contacts you wish to calculate
=86,2631
SWITCH390
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8089070916175842}
WEIGHT390
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS391
the atoms involved in each of the contacts you wish to calculate
=88,650
SWITCH391
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8834666013717651}
WEIGHT391
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS392
the atoms involved in each of the contacts you wish to calculate
=88,652
SWITCH392
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8192144632339478}
WEIGHT392
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS393
the atoms involved in each of the contacts you wish to calculate
=88,655
SWITCH393
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8241855502128601}
WEIGHT393
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS394
the atoms involved in each of the contacts you wish to calculate
=88,656
SWITCH394
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7545161843299866}
WEIGHT394
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS395
the atoms involved in each of the contacts you wish to calculate
=88,658
SWITCH395
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7885397672653198}
WEIGHT395
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS396
the atoms involved in each of the contacts you wish to calculate
=88,660
SWITCH396
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8964353203773499}
WEIGHT396
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS397
the atoms involved in each of the contacts you wish to calculate
=88,661
SWITCH397
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9711530804634094}
WEIGHT397
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS398
the atoms involved in each of the contacts you wish to calculate
=88,663
SWITCH398
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9638135433197021}
WEIGHT398
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS399
the atoms involved in each of the contacts you wish to calculate
=88,665
SWITCH399
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9252039194107056}
WEIGHT399
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS400
the atoms involved in each of the contacts you wish to calculate
=88,697
SWITCH400
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1728414297103882}
WEIGHT400
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS401
the atoms involved in each of the contacts you wish to calculate
=88,699
SWITCH401
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0273336172103882}
WEIGHT401
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS402
the atoms involved in each of the contacts you wish to calculate
=88,701
SWITCH402
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.028367280960083}
WEIGHT402
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS403
the atoms involved in each of the contacts you wish to calculate
=88,705
SWITCH403
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9657133221626282}
WEIGHT403
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS404
the atoms involved in each of the contacts you wish to calculate
=88,2479
SWITCH404
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3285678625106812}
WEIGHT404
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS405
the atoms involved in each of the contacts you wish to calculate
=88,2481
SWITCH405
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1980303525924683}
WEIGHT405
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS406
the atoms involved in each of the contacts you wish to calculate
=88,2484
SWITCH406
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1020355224609375}
WEIGHT406
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS407
the atoms involved in each of the contacts you wish to calculate
=88,2485
SWITCH407
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0834599733352661}
WEIGHT407
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS408
the atoms involved in each of the contacts you wish to calculate
=88,2487
SWITCH408
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0049159526824951}
WEIGHT408
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS409
the atoms involved in each of the contacts you wish to calculate
=88,2489
SWITCH409
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9513953328132629}
WEIGHT409
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS410
the atoms involved in each of the contacts you wish to calculate
=88,2491
SWITCH410
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9850666522979736}
WEIGHT410
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS411
the atoms involved in each of the contacts you wish to calculate
=88,2493
SWITCH411
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0564709901809692}
WEIGHT411
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS412
the atoms involved in each of the contacts you wish to calculate
=88,2568
SWITCH412
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1140645742416382}
WEIGHT412
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS413
the atoms involved in each of the contacts you wish to calculate
=88,2570
SWITCH413
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2003374099731445}
WEIGHT413
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS414
the atoms involved in each of the contacts you wish to calculate
=88,2573
SWITCH414
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.210228681564331}
WEIGHT414
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS415
the atoms involved in each of the contacts you wish to calculate
=88,2575
SWITCH415
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3307602405548096}
WEIGHT415
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS416
the atoms involved in each of the contacts you wish to calculate
=88,2579
SWITCH416
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.090667486190796}
WEIGHT416
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS417
the atoms involved in each of the contacts you wish to calculate
=88,2623
SWITCH417
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6527144312858582}
WEIGHT417
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS418
the atoms involved in each of the contacts you wish to calculate
=88,2625
SWITCH418
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6190008521080017}
WEIGHT418
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS419
the atoms involved in each of the contacts you wish to calculate
=88,2627
SWITCH419
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6037590503692627}
WEIGHT419
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS420
the atoms involved in each of the contacts you wish to calculate
=88,2631
SWITCH420
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7534478902816772}
WEIGHT420
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS421
the atoms involved in each of the contacts you wish to calculate
=121,650
SWITCH421
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8827762603759766}
WEIGHT421
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS422
the atoms involved in each of the contacts you wish to calculate
=121,652
SWITCH422
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9343044757843018}
WEIGHT422
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS423
the atoms involved in each of the contacts you wish to calculate
=121,655
SWITCH423
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0006381273269653}
WEIGHT423
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS424
the atoms involved in each of the contacts you wish to calculate
=121,656
SWITCH424
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9383794069290161}
WEIGHT424
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS425
the atoms involved in each of the contacts you wish to calculate
=121,658
SWITCH425
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0277423858642578}
WEIGHT425
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS426
the atoms involved in each of the contacts you wish to calculate
=121,660
SWITCH426
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.16602623462677}
WEIGHT426
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS427
the atoms involved in each of the contacts you wish to calculate
=121,661
SWITCH427
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.265393853187561}
WEIGHT427
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS428
the atoms involved in each of the contacts you wish to calculate
=121,663
SWITCH428
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2187949419021606}
WEIGHT428
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS429
the atoms involved in each of the contacts you wish to calculate
=121,665
SWITCH429
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1403672695159912}
WEIGHT429
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS430
the atoms involved in each of the contacts you wish to calculate
=121,697
SWITCH430
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9692772030830383}
WEIGHT430
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS431
the atoms involved in each of the contacts you wish to calculate
=121,699
SWITCH431
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8584532141685486}
WEIGHT431
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS432
the atoms involved in each of the contacts you wish to calculate
=121,701
SWITCH432
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8589931130409241}
WEIGHT432
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS433
the atoms involved in each of the contacts you wish to calculate
=121,705
SWITCH433
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7366448640823364}
WEIGHT433
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS434
the atoms involved in each of the contacts you wish to calculate
=121,2479
SWITCH434
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9146985411643982}
WEIGHT434
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS435
the atoms involved in each of the contacts you wish to calculate
=121,2481
SWITCH435
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7927442789077759}
WEIGHT435
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS436
the atoms involved in each of the contacts you wish to calculate
=121,2484
SWITCH436
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6605428457260132}
WEIGHT436
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS437
the atoms involved in each of the contacts you wish to calculate
=121,2485
SWITCH437
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5731696486473083}
WEIGHT437
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS438
the atoms involved in each of the contacts you wish to calculate
=121,2487
SWITCH438
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4545432925224304}
WEIGHT438
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS439
the atoms involved in each of the contacts you wish to calculate
=121,2489
SWITCH439
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4435187876224518}
WEIGHT439
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS440
the atoms involved in each of the contacts you wish to calculate
=121,2491
SWITCH440
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5580437183380127}
WEIGHT440
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS441
the atoms involved in each of the contacts you wish to calculate
=121,2493
SWITCH441
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6567596197128296}
WEIGHT441
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS442
the atoms involved in each of the contacts you wish to calculate
=121,2568
SWITCH442
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0248717069625854}
WEIGHT442
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS443
the atoms involved in each of the contacts you wish to calculate
=121,2570
SWITCH443
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0448377132415771}
WEIGHT443
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS444
the atoms involved in each of the contacts you wish to calculate
=121,2573
SWITCH444
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9681641459465027}
WEIGHT444
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS445
the atoms involved in each of the contacts you wish to calculate
=121,2575
SWITCH445
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0463056564331055}
WEIGHT445
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS446
the atoms involved in each of the contacts you wish to calculate
=121,2579
SWITCH446
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8201524019241333}
WEIGHT446
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS447
the atoms involved in each of the contacts you wish to calculate
=121,2623
SWITCH447
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9225538969039917}
WEIGHT447
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS448
the atoms involved in each of the contacts you wish to calculate
=121,2625
SWITCH448
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.793582558631897}
WEIGHT448
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS449
the atoms involved in each of the contacts you wish to calculate
=121,2627
SWITCH449
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6958119869232178}
WEIGHT449
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS450
the atoms involved in each of the contacts you wish to calculate
=121,2631
SWITCH450
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8384278416633606}
WEIGHT450
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS451
the atoms involved in each of the contacts you wish to calculate
=123,650
SWITCH451
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.782192051410675}
WEIGHT451
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS452
the atoms involved in each of the contacts you wish to calculate
=123,652
SWITCH452
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8390645980834961}
WEIGHT452
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS453
the atoms involved in each of the contacts you wish to calculate
=123,655
SWITCH453
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8928253650665283}
WEIGHT453
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS454
the atoms involved in each of the contacts you wish to calculate
=123,656
SWITCH454
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8208436369895935}
WEIGHT454
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS455
the atoms involved in each of the contacts you wish to calculate
=123,658
SWITCH455
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9050639271736145}
WEIGHT455
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS456
the atoms involved in each of the contacts you wish to calculate
=123,660
SWITCH456
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0446804761886597}
WEIGHT456
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS457
the atoms involved in each of the contacts you wish to calculate
=123,661
SWITCH457
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1398578882217407}
WEIGHT457
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS458
the atoms involved in each of the contacts you wish to calculate
=123,663
SWITCH458
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1034516096115112}
WEIGHT458
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS459
the atoms involved in each of the contacts you wish to calculate
=123,665
SWITCH459
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0323359966278076}
WEIGHT459
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS460
the atoms involved in each of the contacts you wish to calculate
=123,697
SWITCH460
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8365718722343445}
WEIGHT460
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS461
the atoms involved in each of the contacts you wish to calculate
=123,699
SWITCH461
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7195373773574829}
WEIGHT461
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS462
the atoms involved in each of the contacts you wish to calculate
=123,701
SWITCH462
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7113716006278992}
WEIGHT462
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS463
the atoms involved in each of the contacts you wish to calculate
=123,705
SWITCH463
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6048388481140137}
WEIGHT463
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS464
the atoms involved in each of the contacts you wish to calculate
=123,2479
SWITCH464
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8371200561523438}
WEIGHT464
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS465
the atoms involved in each of the contacts you wish to calculate
=123,2481
SWITCH465
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7023702263832092}
WEIGHT465
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS466
the atoms involved in each of the contacts you wish to calculate
=123,2484
SWITCH466
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5859228372573853}
WEIGHT466
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS467
the atoms involved in each of the contacts you wish to calculate
=123,2485
SWITCH467
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5053396224975586}
WEIGHT467
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS468
the atoms involved in each of the contacts you wish to calculate
=123,2487
SWITCH468
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.412972629070282}
WEIGHT468
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS469
the atoms involved in each of the contacts you wish to calculate
=123,2489
SWITCH469
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42444077134132385}
WEIGHT469
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS470
the atoms involved in each of the contacts you wish to calculate
=123,2491
SWITCH470
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5252939462661743}
WEIGHT470
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS471
the atoms involved in each of the contacts you wish to calculate
=123,2493
SWITCH471
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5974696278572083}
WEIGHT471
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS472
the atoms involved in each of the contacts you wish to calculate
=123,2568
SWITCH472
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8846786618232727}
WEIGHT472
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS473
the atoms involved in each of the contacts you wish to calculate
=123,2570
SWITCH473
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.901812732219696}
WEIGHT473
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS474
the atoms involved in each of the contacts you wish to calculate
=123,2573
SWITCH474
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.831169068813324}
WEIGHT474
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS475
the atoms involved in each of the contacts you wish to calculate
=123,2575
SWITCH475
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9112550616264343}
WEIGHT475
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS476
the atoms involved in each of the contacts you wish to calculate
=123,2579
SWITCH476
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6815426349639893}
WEIGHT476
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS477
the atoms involved in each of the contacts you wish to calculate
=123,2623
SWITCH477
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.80299311876297}
WEIGHT477
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS478
the atoms involved in each of the contacts you wish to calculate
=123,2625
SWITCH478
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6660282611846924}
WEIGHT478
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS479
the atoms involved in each of the contacts you wish to calculate
=123,2627
SWITCH479
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5731010437011719}
WEIGHT479
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS480
the atoms involved in each of the contacts you wish to calculate
=123,2631
SWITCH480
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6970607042312622}
WEIGHT480
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS481
the atoms involved in each of the contacts you wish to calculate
=126,650
SWITCH481
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6740875840187073}
WEIGHT481
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS482
the atoms involved in each of the contacts you wish to calculate
=126,652
SWITCH482
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7519687414169312}
WEIGHT482
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS483
the atoms involved in each of the contacts you wish to calculate
=126,655
SWITCH483
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8164317011833191}
WEIGHT483
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS484
the atoms involved in each of the contacts you wish to calculate
=126,656
SWITCH484
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7569541931152344}
WEIGHT484
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS485
the atoms involved in each of the contacts you wish to calculate
=126,658
SWITCH485
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8534671664237976}
WEIGHT485
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS486
the atoms involved in each of the contacts you wish to calculate
=126,660
SWITCH486
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9890342950820923}
WEIGHT486
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS487
the atoms involved in each of the contacts you wish to calculate
=126,661
SWITCH487
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0908738374710083}
WEIGHT487
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS488
the atoms involved in each of the contacts you wish to calculate
=126,663
SWITCH488
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.035347819328308}
WEIGHT488
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS489
the atoms involved in each of the contacts you wish to calculate
=126,665
SWITCH489
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9556471109390259}
WEIGHT489
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS490
the atoms involved in each of the contacts you wish to calculate
=126,697
SWITCH490
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7073206305503845}
WEIGHT490
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS491
the atoms involved in each of the contacts you wish to calculate
=126,699
SWITCH491
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6023502349853516}
WEIGHT491
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS492
the atoms involved in each of the contacts you wish to calculate
=126,701
SWITCH492
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6144015789031982}
WEIGHT492
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS493
the atoms involved in each of the contacts you wish to calculate
=126,705
SWITCH493
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4765685796737671}
WEIGHT493
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS494
the atoms involved in each of the contacts you wish to calculate
=126,2479
SWITCH494
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8602309823036194}
WEIGHT494
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS495
the atoms involved in each of the contacts you wish to calculate
=126,2481
SWITCH495
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7190793752670288}
WEIGHT495
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS496
the atoms involved in each of the contacts you wish to calculate
=126,2484
SWITCH496
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6224794983863831}
WEIGHT496
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS497
the atoms involved in each of the contacts you wish to calculate
=126,2485
SWITCH497
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5263640284538269}
WEIGHT497
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS498
the atoms involved in each of the contacts you wish to calculate
=126,2487
SWITCH498
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4592922031879425}
WEIGHT498
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS499
the atoms involved in each of the contacts you wish to calculate
=126,2489
SWITCH499
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5120242238044739}
WEIGHT499
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS500
the atoms involved in each of the contacts you wish to calculate
=126,2491
SWITCH500
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6165585517883301}
WEIGHT500
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS501
the atoms involved in each of the contacts you wish to calculate
=126,2493
SWITCH501
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6655890941619873}
WEIGHT501
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS502
the atoms involved in each of the contacts you wish to calculate
=126,2568
SWITCH502
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8766857981681824}
WEIGHT502
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS503
the atoms involved in each of the contacts you wish to calculate
=126,2570
SWITCH503
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8715468049049377}
WEIGHT503
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS504
the atoms involved in each of the contacts you wish to calculate
=126,2573
SWITCH504
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7983568906784058}
WEIGHT504
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS505
the atoms involved in each of the contacts you wish to calculate
=126,2575
SWITCH505
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8584542870521545}
WEIGHT505
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS506
the atoms involved in each of the contacts you wish to calculate
=126,2579
SWITCH506
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6456329822540283}
WEIGHT506
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS507
the atoms involved in each of the contacts you wish to calculate
=126,2623
SWITCH507
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8304246664047241}
WEIGHT507
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS508
the atoms involved in each of the contacts you wish to calculate
=126,2625
SWITCH508
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6830145120620728}
WEIGHT508
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS509
the atoms involved in each of the contacts you wish to calculate
=126,2627
SWITCH509
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6144118905067444}
WEIGHT509
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS510
the atoms involved in each of the contacts you wish to calculate
=126,2631
SWITCH510
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.68622225522995}
WEIGHT510
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS511
the atoms involved in each of the contacts you wish to calculate
=128,650
SWITCH511
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7581477761268616}
WEIGHT511
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS512
the atoms involved in each of the contacts you wish to calculate
=128,652
SWITCH512
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8554502725601196}
WEIGHT512
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS513
the atoms involved in each of the contacts you wish to calculate
=128,655
SWITCH513
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9271165132522583}
WEIGHT513
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS514
the atoms involved in each of the contacts you wish to calculate
=128,656
SWITCH514
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.874717116355896}
WEIGHT514
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS515
the atoms involved in each of the contacts you wish to calculate
=128,658
SWITCH515
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9736707210540771}
WEIGHT515
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS516
the atoms involved in each of the contacts you wish to calculate
=128,660
SWITCH516
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1059868335723877}
WEIGHT516
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS517
the atoms involved in each of the contacts you wish to calculate
=128,661
SWITCH517
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2072521448135376}
WEIGHT517
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS518
the atoms involved in each of the contacts you wish to calculate
=128,663
SWITCH518
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.146892786026001}
WEIGHT518
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS519
the atoms involved in each of the contacts you wish to calculate
=128,665
SWITCH519
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0638916492462158}
WEIGHT519
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS520
the atoms involved in each of the contacts you wish to calculate
=128,697
SWITCH520
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7220583558082581}
WEIGHT520
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS521
the atoms involved in each of the contacts you wish to calculate
=128,699
SWITCH521
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6422755718231201}
WEIGHT521
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS522
the atoms involved in each of the contacts you wish to calculate
=128,701
SWITCH522
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6543450951576233}
WEIGHT522
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS523
the atoms involved in each of the contacts you wish to calculate
=128,705
SWITCH523
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5121579766273499}
WEIGHT523
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS524
the atoms involved in each of the contacts you wish to calculate
=128,2479
SWITCH524
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8159598708152771}
WEIGHT524
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS525
the atoms involved in each of the contacts you wish to calculate
=128,2481
SWITCH525
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6848256587982178}
WEIGHT525
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS526
the atoms involved in each of the contacts you wish to calculate
=128,2484
SWITCH526
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5893114805221558}
WEIGHT526
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS527
the atoms involved in each of the contacts you wish to calculate
=128,2485
SWITCH527
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47012579441070557}
WEIGHT527
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS528
the atoms involved in each of the contacts you wish to calculate
=128,2487
SWITCH528
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40698471665382385}
WEIGHT528
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS529
the atoms involved in each of the contacts you wish to calculate
=128,2489
SWITCH529
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49016961455345154}
WEIGHT529
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS530
the atoms involved in each of the contacts you wish to calculate
=128,2491
SWITCH530
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6084128022193909}
WEIGHT530
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS531
the atoms involved in each of the contacts you wish to calculate
=128,2493
SWITCH531
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.652619481086731}
WEIGHT531
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS532
the atoms involved in each of the contacts you wish to calculate
=128,2568
SWITCH532
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.923822820186615}
WEIGHT532
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS533
the atoms involved in each of the contacts you wish to calculate
=128,2570
SWITCH533
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8984354734420776}
WEIGHT533
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS534
the atoms involved in each of the contacts you wish to calculate
=128,2573
SWITCH534
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.80366051197052}
WEIGHT534
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS535
the atoms involved in each of the contacts you wish to calculate
=128,2575
SWITCH535
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8427123427391052}
WEIGHT535
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS536
the atoms involved in each of the contacts you wish to calculate
=128,2579
SWITCH536
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6545048356056213}
WEIGHT536
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS537
the atoms involved in each of the contacts you wish to calculate
=128,2623
SWITCH537
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9563765525817871}
WEIGHT537
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS538
the atoms involved in each of the contacts you wish to calculate
=128,2625
SWITCH538
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8069111704826355}
WEIGHT538
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS539
the atoms involved in each of the contacts you wish to calculate
=128,2627
SWITCH539
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7319132089614868}
WEIGHT539
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS540
the atoms involved in each of the contacts you wish to calculate
=128,2631
SWITCH540
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7927771806716919}
WEIGHT540
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS541
the atoms involved in each of the contacts you wish to calculate
=132,650
SWITCH541
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6248541474342346}
WEIGHT541
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS542
the atoms involved in each of the contacts you wish to calculate
=132,652
SWITCH542
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7054826617240906}
WEIGHT542
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS543
the atoms involved in each of the contacts you wish to calculate
=132,655
SWITCH543
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7470299005508423}
WEIGHT543
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS544
the atoms involved in each of the contacts you wish to calculate
=132,656
SWITCH544
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6720048189163208}
WEIGHT544
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS545
the atoms involved in each of the contacts you wish to calculate
=132,658
SWITCH545
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7558314800262451}
WEIGHT545
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS546
the atoms involved in each of the contacts you wish to calculate
=132,660
SWITCH546
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8915748596191406}
WEIGHT546
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS547
the atoms involved in each of the contacts you wish to calculate
=132,661
SWITCH547
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9842422008514404}
WEIGHT547
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS548
the atoms involved in each of the contacts you wish to calculate
=132,663
SWITCH548
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9485070705413818}
WEIGHT548
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS549
the atoms involved in each of the contacts you wish to calculate
=132,665
SWITCH549
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8826574087142944}
WEIGHT549
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS550
the atoms involved in each of the contacts you wish to calculate
=132,697
SWITCH550
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5988277792930603}
WEIGHT550
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS551
the atoms involved in each of the contacts you wish to calculate
=132,699
SWITCH551
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48210594058036804}
WEIGHT551
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS552
the atoms involved in each of the contacts you wish to calculate
=132,701
SWITCH552
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47332215309143066}
WEIGHT552
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS553
the atoms involved in each of the contacts you wish to calculate
=132,705
SWITCH553
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3725535571575165}
WEIGHT553
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS554
the atoms involved in each of the contacts you wish to calculate
=132,2479
SWITCH554
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7940719723701477}
WEIGHT554
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS555
the atoms involved in each of the contacts you wish to calculate
=132,2481
SWITCH555
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6449107527732849}
WEIGHT555
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS556
the atoms involved in each of the contacts you wish to calculate
=132,2484
SWITCH556
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732763409614563}
WEIGHT556
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS557
the atoms involved in each of the contacts you wish to calculate
=132,2485
SWITCH557
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4970130920410156}
WEIGHT557
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS558
the atoms involved in each of the contacts you wish to calculate
=132,2487
SWITCH558
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4672197699546814}
WEIGHT558
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS559
the atoms involved in each of the contacts you wish to calculate
=132,2489
SWITCH559
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294206142425537}
WEIGHT559
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS560
the atoms involved in each of the contacts you wish to calculate
=132,2491
SWITCH560
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6085144281387329}
WEIGHT560
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS561
the atoms involved in each of the contacts you wish to calculate
=132,2493
SWITCH561
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6275779008865356}
WEIGHT561
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS562
the atoms involved in each of the contacts you wish to calculate
=132,2568
SWITCH562
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7343629598617554}
WEIGHT562
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS563
the atoms involved in each of the contacts you wish to calculate
=132,2570
SWITCH563
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7264589071273804}
WEIGHT563
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS564
the atoms involved in each of the contacts you wish to calculate
=132,2573
SWITCH564
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6623233556747437}
WEIGHT564
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS565
the atoms involved in each of the contacts you wish to calculate
=132,2575
SWITCH565
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.726473867893219}
WEIGHT565
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS566
the atoms involved in each of the contacts you wish to calculate
=132,2579
SWITCH566
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.510424017906189}
WEIGHT566
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS567
the atoms involved in each of the contacts you wish to calculate
=132,2623
SWITCH567
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7237225770950317}
WEIGHT567
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS568
the atoms involved in each of the contacts you wish to calculate
=132,2625
SWITCH568
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5722167491912842}
WEIGHT568
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS569
the atoms involved in each of the contacts you wish to calculate
=132,2627
SWITCH569
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5123468041419983}
WEIGHT569
A weight value for a given contact, by default is 1
=0.0017543859649122807
ATOMS570
the atoms involved in each of the contacts you wish to calculate
=132,2631
SWITCH570
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5535756945610046}
WEIGHT570
A weight value for a given contact, by default is 1
=0.0017543859649122807
LABEL
a label for the action so that its output can be referenced in the input to other actions
=qtyra
SUM
calculate the sum of all the contacts in the input
NOPBC
ignore the periodic boundary conditions when calculating distances
... CONTACTMAP
CONTACTMAP
Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details
...
ATOMS1
the atoms involved in each of the contacts you wish to calculate
=73,584
SWITCH1
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0104904174804688}
WEIGHT1
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS2
the atoms involved in each of the contacts you wish to calculate
=73,586
SWITCH2
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9691793918609619}
WEIGHT2
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS3
the atoms involved in each of the contacts you wish to calculate
=73,588
SWITCH3
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8419557213783264}
WEIGHT3
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS4
the atoms involved in each of the contacts you wish to calculate
=73,592
SWITCH4
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9758177995681763}
WEIGHT4
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS5
the atoms involved in each of the contacts you wish to calculate
=73,650
SWITCH5
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9309435486793518}
WEIGHT5
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS6
the atoms involved in each of the contacts you wish to calculate
=73,652
SWITCH6
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9082626700401306}
WEIGHT6
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS7
the atoms involved in each of the contacts you wish to calculate
=73,655
SWITCH7
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9031504392623901}
WEIGHT7
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS8
the atoms involved in each of the contacts you wish to calculate
=73,656
SWITCH8
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.800478458404541}
WEIGHT8
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS9
the atoms involved in each of the contacts you wish to calculate
=73,658
SWITCH9
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8262046575546265}
WEIGHT9
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS10
the atoms involved in each of the contacts you wish to calculate
=73,660
SWITCH10
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9544553756713867}
WEIGHT10
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS11
the atoms involved in each of the contacts you wish to calculate
=73,661
SWITCH11
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0169137716293335}
WEIGHT11
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS12
the atoms involved in each of the contacts you wish to calculate
=73,663
SWITCH12
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0473077297210693}
WEIGHT12
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS13
the atoms involved in each of the contacts you wish to calculate
=73,665
SWITCH13
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0195348262786865}
WEIGHT13
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS14
the atoms involved in each of the contacts you wish to calculate
=73,2623
SWITCH14
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5388705730438232}
WEIGHT14
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS15
the atoms involved in each of the contacts you wish to calculate
=73,2625
SWITCH15
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48216524720191956}
WEIGHT15
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS16
the atoms involved in each of the contacts you wish to calculate
=73,2627
SWITCH16
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.395525187253952}
WEIGHT16
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS17
the atoms involved in each of the contacts you wish to calculate
=73,2631
SWITCH17
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6100140810012817}
WEIGHT17
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS18
the atoms involved in each of the contacts you wish to calculate
=73,2670
SWITCH18
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6875495910644531}
WEIGHT18
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS19
the atoms involved in each of the contacts you wish to calculate
=73,2672
SWITCH19
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441213250160217}
WEIGHT19
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS20
the atoms involved in each of the contacts you wish to calculate
=73,2675
SWITCH20
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5434494614601135}
WEIGHT20
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS21
the atoms involved in each of the contacts you wish to calculate
=73,2678
SWITCH21
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6727513074874878}
WEIGHT21
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS22
the atoms involved in each of the contacts you wish to calculate
=73,2679
SWITCH22
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7739260196685791}
WEIGHT22
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS23
the atoms involved in each of the contacts you wish to calculate
=73,2680
SWITCH23
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7069159746170044}
WEIGHT23
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS24
the atoms involved in each of the contacts you wish to calculate
=73,2687
SWITCH24
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7936853170394897}
WEIGHT24
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS25
the atoms involved in each of the contacts you wish to calculate
=73,2689
SWITCH25
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8234379887580872}
WEIGHT25
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS26
the atoms involved in each of the contacts you wish to calculate
=73,2692
SWITCH26
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8289691209793091}
WEIGHT26
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS27
the atoms involved in each of the contacts you wish to calculate
=73,2695
SWITCH27
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9747817516326904}
WEIGHT27
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS28
the atoms involved in each of the contacts you wish to calculate
=73,2698
SWITCH28
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.016952395439148}
WEIGHT28
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS29
the atoms involved in each of the contacts you wish to calculate
=73,2700
SWITCH29
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.03352952003479}
WEIGHT29
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS30
the atoms involved in each of the contacts you wish to calculate
=73,2701
SWITCH30
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0054712295532227}
WEIGHT30
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS31
the atoms involved in each of the contacts you wish to calculate
=73,2704
SWITCH31
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1031029224395752}
WEIGHT31
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS32
the atoms involved in each of the contacts you wish to calculate
=75,584
SWITCH32
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0233336687088013}
WEIGHT32
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS33
the atoms involved in each of the contacts you wish to calculate
=75,586
SWITCH33
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.962285578250885}
WEIGHT33
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS34
the atoms involved in each of the contacts you wish to calculate
=75,588
SWITCH34
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.824657678604126}
WEIGHT34
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS35
the atoms involved in each of the contacts you wish to calculate
=75,592
SWITCH35
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9709404110908508}
WEIGHT35
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS36
the atoms involved in each of the contacts you wish to calculate
=75,650
SWITCH36
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9557713270187378}
WEIGHT36
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS37
the atoms involved in each of the contacts you wish to calculate
=75,652
SWITCH37
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9094404578208923}
WEIGHT37
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS38
the atoms involved in each of the contacts you wish to calculate
=75,655
SWITCH38
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8884962201118469}
WEIGHT38
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS39
the atoms involved in each of the contacts you wish to calculate
=75,656
SWITCH39
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7862153649330139}
WEIGHT39
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS40
the atoms involved in each of the contacts you wish to calculate
=75,658
SWITCH40
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7945192456245422}
WEIGHT40
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS41
the atoms involved in each of the contacts you wish to calculate
=75,660
SWITCH41
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9109082818031311}
WEIGHT41
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS42
the atoms involved in each of the contacts you wish to calculate
=75,661
SWITCH42
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9635561108589172}
WEIGHT42
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS43
the atoms involved in each of the contacts you wish to calculate
=75,663
SWITCH43
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0070005655288696}
WEIGHT43
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS44
the atoms involved in each of the contacts you wish to calculate
=75,665
SWITCH44
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9915522933006287}
WEIGHT44
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS45
the atoms involved in each of the contacts you wish to calculate
=75,2623
SWITCH45
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49890923500061035}
WEIGHT45
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS46
the atoms involved in each of the contacts you wish to calculate
=75,2625
SWITCH46
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4806707203388214}
WEIGHT46
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS47
the atoms involved in each of the contacts you wish to calculate
=75,2627
SWITCH47
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4315405786037445}
WEIGHT47
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS48
the atoms involved in each of the contacts you wish to calculate
=75,2631
SWITCH48
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6263275146484375}
WEIGHT48
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS49
the atoms involved in each of the contacts you wish to calculate
=75,2670
SWITCH49
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442600250244141}
WEIGHT49
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS50
the atoms involved in each of the contacts you wish to calculate
=75,2672
SWITCH50
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3985207974910736}
WEIGHT50
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS51
the atoms involved in each of the contacts you wish to calculate
=75,2675
SWITCH51
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41199761629104614}
WEIGHT51
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS52
the atoms involved in each of the contacts you wish to calculate
=75,2678
SWITCH52
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5404636859893799}
WEIGHT52
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS53
the atoms involved in each of the contacts you wish to calculate
=75,2679
SWITCH53
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6467627882957458}
WEIGHT53
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS54
the atoms involved in each of the contacts you wish to calculate
=75,2680
SWITCH54
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5697199702262878}
WEIGHT54
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS55
the atoms involved in each of the contacts you wish to calculate
=75,2687
SWITCH55
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6806606650352478}
WEIGHT55
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS56
the atoms involved in each of the contacts you wish to calculate
=75,2689
SWITCH56
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7315550446510315}
WEIGHT56
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS57
the atoms involved in each of the contacts you wish to calculate
=75,2692
SWITCH57
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7523897886276245}
WEIGHT57
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS58
the atoms involved in each of the contacts you wish to calculate
=75,2695
SWITCH58
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8971298933029175}
WEIGHT58
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS59
the atoms involved in each of the contacts you wish to calculate
=75,2698
SWITCH59
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.949770987033844}
WEIGHT59
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS60
the atoms involved in each of the contacts you wish to calculate
=75,2700
SWITCH60
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9614227414131165}
WEIGHT60
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS61
the atoms involved in each of the contacts you wish to calculate
=75,2701
SWITCH61
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9177216291427612}
WEIGHT61
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS62
the atoms involved in each of the contacts you wish to calculate
=75,2704
SWITCH62
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.042278528213501}
WEIGHT62
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS63
the atoms involved in each of the contacts you wish to calculate
=78,584
SWITCH63
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8953778743743896}
WEIGHT63
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS64
the atoms involved in each of the contacts you wish to calculate
=78,586
SWITCH64
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.826436460018158}
WEIGHT64
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS65
the atoms involved in each of the contacts you wish to calculate
=78,588
SWITCH65
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6846020817756653}
WEIGHT65
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS66
the atoms involved in each of the contacts you wish to calculate
=78,592
SWITCH66
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.841319739818573}
WEIGHT66
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS67
the atoms involved in each of the contacts you wish to calculate
=78,650
SWITCH67
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8566506505012512}
WEIGHT67
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS68
the atoms involved in each of the contacts you wish to calculate
=78,652
SWITCH68
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7954189777374268}
WEIGHT68
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS69
the atoms involved in each of the contacts you wish to calculate
=78,655
SWITCH69
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.779197633266449}
WEIGHT69
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS70
the atoms involved in each of the contacts you wish to calculate
=78,656
SWITCH70
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6903489828109741}
WEIGHT70
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS71
the atoms involved in each of the contacts you wish to calculate
=78,658
SWITCH71
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7073019742965698}
WEIGHT71
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS72
the atoms involved in each of the contacts you wish to calculate
=78,660
SWITCH72
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8185909986495972}
WEIGHT72
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS73
the atoms involved in each of the contacts you wish to calculate
=78,661
SWITCH73
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8821538686752319}
WEIGHT73
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS74
the atoms involved in each of the contacts you wish to calculate
=78,663
SWITCH74
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9021505117416382}
WEIGHT74
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS75
the atoms involved in each of the contacts you wish to calculate
=78,665
SWITCH75
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8788227438926697}
WEIGHT75
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS76
the atoms involved in each of the contacts you wish to calculate
=78,2623
SWITCH76
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5147303938865662}
WEIGHT76
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS77
the atoms involved in each of the contacts you wish to calculate
=78,2625
SWITCH77
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48978909850120544}
WEIGHT77
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS78
the atoms involved in each of the contacts you wish to calculate
=78,2627
SWITCH78
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4794395864009857}
WEIGHT78
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS79
the atoms involved in each of the contacts you wish to calculate
=78,2631
SWITCH79
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6308432221412659}
WEIGHT79
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS80
the atoms involved in each of the contacts you wish to calculate
=78,2670
SWITCH80
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5071703791618347}
WEIGHT80
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS81
the atoms involved in each of the contacts you wish to calculate
=78,2672
SWITCH81
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38238435983657837}
WEIGHT81
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS82
the atoms involved in each of the contacts you wish to calculate
=78,2675
SWITCH82
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44780001044273376}
WEIGHT82
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS83
the atoms involved in each of the contacts you wish to calculate
=78,2678
SWITCH83
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822161436080933}
WEIGHT83
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS84
the atoms involved in each of the contacts you wish to calculate
=78,2679
SWITCH84
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6853764653205872}
WEIGHT84
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS85
the atoms involved in each of the contacts you wish to calculate
=78,2680
SWITCH85
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6104338765144348}
WEIGHT85
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS86
the atoms involved in each of the contacts you wish to calculate
=78,2687
SWITCH86
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681637525558472}
WEIGHT86
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS87
the atoms involved in each of the contacts you wish to calculate
=78,2689
SWITCH87
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6173281073570251}
WEIGHT87
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS88
the atoms involved in each of the contacts you wish to calculate
=78,2692
SWITCH88
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6211035251617432}
WEIGHT88
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS89
the atoms involved in each of the contacts you wish to calculate
=78,2695
SWITCH89
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7613497972488403}
WEIGHT89
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS90
the atoms involved in each of the contacts you wish to calculate
=78,2698
SWITCH90
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.80573970079422}
WEIGHT90
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS91
the atoms involved in each of the contacts you wish to calculate
=78,2700
SWITCH91
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8127626776695251}
WEIGHT91
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS92
the atoms involved in each of the contacts you wish to calculate
=78,2701
SWITCH92
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7709037661552429}
WEIGHT92
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS93
the atoms involved in each of the contacts you wish to calculate
=78,2704
SWITCH93
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8918531537055969}
WEIGHT93
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS94
the atoms involved in each of the contacts you wish to calculate
=79,584
SWITCH94
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.87324059009552}
WEIGHT94
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS95
the atoms involved in each of the contacts you wish to calculate
=79,586
SWITCH95
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8051860928535461}
WEIGHT95
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS96
the atoms involved in each of the contacts you wish to calculate
=79,588
SWITCH96
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6557267904281616}
WEIGHT96
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS97
the atoms involved in each of the contacts you wish to calculate
=79,592
SWITCH97
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8417174816131592}
WEIGHT97
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS98
the atoms involved in each of the contacts you wish to calculate
=79,650
SWITCH98
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7754189372062683}
WEIGHT98
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS99
the atoms involved in each of the contacts you wish to calculate
=79,652
SWITCH99
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7017617225646973}
WEIGHT99
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS100
the atoms involved in each of the contacts you wish to calculate
=79,655
SWITCH100
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6671515703201294}
WEIGHT100
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS101
the atoms involved in each of the contacts you wish to calculate
=79,656
SWITCH101
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750181674957275}
WEIGHT101
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS102
the atoms involved in each of the contacts you wish to calculate
=79,658
SWITCH102
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793154835700989}
WEIGHT102
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS103
the atoms involved in each of the contacts you wish to calculate
=79,660
SWITCH103
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.684518575668335}
WEIGHT103
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS104
the atoms involved in each of the contacts you wish to calculate
=79,661
SWITCH104
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7448719143867493}
WEIGHT104
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS105
the atoms involved in each of the contacts you wish to calculate
=79,663
SWITCH105
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.771101713180542}
WEIGHT105
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS106
the atoms involved in each of the contacts you wish to calculate
=79,665
SWITCH106
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7575629353523254}
WEIGHT106
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS107
the atoms involved in each of the contacts you wish to calculate
=79,2623
SWITCH107
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43549710512161255}
WEIGHT107
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS108
the atoms involved in each of the contacts you wish to calculate
=79,2625
SWITCH108
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42063960433006287}
WEIGHT108
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS109
the atoms involved in each of the contacts you wish to calculate
=79,2627
SWITCH109
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45383113622665405}
WEIGHT109
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS110
the atoms involved in each of the contacts you wish to calculate
=79,2631
SWITCH110
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5564976930618286}
WEIGHT110
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS111
the atoms involved in each of the contacts you wish to calculate
=79,2670
SWITCH111
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43737632036209106}
WEIGHT111
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS112
the atoms involved in each of the contacts you wish to calculate
=79,2672
SWITCH112
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3410423994064331}
WEIGHT112
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS113
the atoms involved in each of the contacts you wish to calculate
=79,2675
SWITCH113
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4256419837474823}
WEIGHT113
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS114
the atoms involved in each of the contacts you wish to calculate
=79,2678
SWITCH114
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5683361291885376}
WEIGHT114
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS115
the atoms involved in each of the contacts you wish to calculate
=79,2679
SWITCH115
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6552764773368835}
WEIGHT115
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS116
the atoms involved in each of the contacts you wish to calculate
=79,2680
SWITCH116
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6172581315040588}
WEIGHT116
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS117
the atoms involved in each of the contacts you wish to calculate
=79,2687
SWITCH117
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4459441602230072}
WEIGHT117
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS118
the atoms involved in each of the contacts you wish to calculate
=79,2689
SWITCH118
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48267608880996704}
WEIGHT118
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS119
the atoms involved in each of the contacts you wish to calculate
=79,2692
SWITCH119
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4962373971939087}
WEIGHT119
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS120
the atoms involved in each of the contacts you wish to calculate
=79,2695
SWITCH120
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6417738199234009}
WEIGHT120
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS121
the atoms involved in each of the contacts you wish to calculate
=79,2698
SWITCH121
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7006986141204834}
WEIGHT121
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS122
the atoms involved in each of the contacts you wish to calculate
=79,2700
SWITCH122
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7232404351234436}
WEIGHT122
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS123
the atoms involved in each of the contacts you wish to calculate
=79,2701
SWITCH123
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6868088245391846}
WEIGHT123
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS124
the atoms involved in each of the contacts you wish to calculate
=79,2704
SWITCH124
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.814084529876709}
WEIGHT124
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS125
the atoms involved in each of the contacts you wish to calculate
=81,584
SWITCH125
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7752840518951416}
WEIGHT125
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS126
the atoms involved in each of the contacts you wish to calculate
=81,586
SWITCH126
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6959519386291504}
WEIGHT126
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS127
the atoms involved in each of the contacts you wish to calculate
=81,588
SWITCH127
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.54373699426651}
WEIGHT127
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS128
the atoms involved in each of the contacts you wish to calculate
=81,592
SWITCH128
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.739473283290863}
WEIGHT128
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS129
the atoms involved in each of the contacts you wish to calculate
=81,650
SWITCH129
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7221040725708008}
WEIGHT129
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS130
the atoms involved in each of the contacts you wish to calculate
=81,652
SWITCH130
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6284149289131165}
WEIGHT130
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS131
the atoms involved in each of the contacts you wish to calculate
=81,655
SWITCH131
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5999292135238647}
WEIGHT131
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS132
the atoms involved in each of the contacts you wish to calculate
=81,656
SWITCH132
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5315840244293213}
WEIGHT132
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS133
the atoms involved in each of the contacts you wish to calculate
=81,658
SWITCH133
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545782208442688}
WEIGHT133
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS134
the atoms involved in each of the contacts you wish to calculate
=81,660
SWITCH134
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6372515559196472}
WEIGHT134
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS135
the atoms involved in each of the contacts you wish to calculate
=81,661
SWITCH135
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.708910346031189}
WEIGHT135
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS136
the atoms involved in each of the contacts you wish to calculate
=81,663
SWITCH136
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7040637135505676}
WEIGHT136
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS137
the atoms involved in each of the contacts you wish to calculate
=81,665
SWITCH137
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6811647415161133}
WEIGHT137
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS138
the atoms involved in each of the contacts you wish to calculate
=81,2623
SWITCH138
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294727683067322}
WEIGHT138
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS139
the atoms involved in each of the contacts you wish to calculate
=81,2625
SWITCH139
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.512668788433075}
WEIGHT139
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS140
the atoms involved in each of the contacts you wish to calculate
=81,2627
SWITCH140
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677062273025513}
WEIGHT140
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS141
the atoms involved in each of the contacts you wish to calculate
=81,2631
SWITCH141
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6317002177238464}
WEIGHT141
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS142
the atoms involved in each of the contacts you wish to calculate
=81,2670
SWITCH142
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613306224346161}
WEIGHT142
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS143
the atoms involved in each of the contacts you wish to calculate
=81,2672
SWITCH143
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40188300609588623}
WEIGHT143
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS144
the atoms involved in each of the contacts you wish to calculate
=81,2675
SWITCH144
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5175354480743408}
WEIGHT144
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS145
the atoms involved in each of the contacts you wish to calculate
=81,2678
SWITCH145
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6488434076309204}
WEIGHT145
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS146
the atoms involved in each of the contacts you wish to calculate
=81,2679
SWITCH146
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.730585515499115}
WEIGHT146
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS147
the atoms involved in each of the contacts you wish to calculate
=81,2680
SWITCH147
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6888392567634583}
WEIGHT147
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS148
the atoms involved in each of the contacts you wish to calculate
=81,2687
SWITCH148
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3645520508289337}
WEIGHT148
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS149
the atoms involved in each of the contacts you wish to calculate
=81,2689
SWITCH149
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40052488446235657}
WEIGHT149
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS150
the atoms involved in each of the contacts you wish to calculate
=81,2692
SWITCH150
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38619619607925415}
WEIGHT150
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS151
the atoms involved in each of the contacts you wish to calculate
=81,2695
SWITCH151
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5229702591896057}
WEIGHT151
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS152
the atoms involved in each of the contacts you wish to calculate
=81,2698
SWITCH152
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5706301927566528}
WEIGHT152
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS153
the atoms involved in each of the contacts you wish to calculate
=81,2700
SWITCH153
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5851844549179077}
WEIGHT153
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS154
the atoms involved in each of the contacts you wish to calculate
=81,2701
SWITCH154
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488705039024353}
WEIGHT154
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS155
the atoms involved in each of the contacts you wish to calculate
=81,2704
SWITCH155
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6755515336990356}
WEIGHT155
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS156
the atoms involved in each of the contacts you wish to calculate
=83,584
SWITCH156
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6959714889526367}
WEIGHT156
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS157
the atoms involved in each of the contacts you wish to calculate
=83,586
SWITCH157
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6005781888961792}
WEIGHT157
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS158
the atoms involved in each of the contacts you wish to calculate
=83,588
SWITCH158
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452443391084671}
WEIGHT158
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS159
the atoms involved in each of the contacts you wish to calculate
=83,592
SWITCH159
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.626295268535614}
WEIGHT159
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS160
the atoms involved in each of the contacts you wish to calculate
=83,650
SWITCH160
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7567639350891113}
WEIGHT160
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS161
the atoms involved in each of the contacts you wish to calculate
=83,652
SWITCH161
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.660020112991333}
WEIGHT161
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS162
the atoms involved in each of the contacts you wish to calculate
=83,655
SWITCH162
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.658077597618103}
WEIGHT162
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS163
the atoms involved in each of the contacts you wish to calculate
=83,656
SWITCH163
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6139795184135437}
WEIGHT163
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS164
the atoms involved in each of the contacts you wish to calculate
=83,658
SWITCH164
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6478961110115051}
WEIGHT164
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS165
the atoms involved in each of the contacts you wish to calculate
=83,660
SWITCH165
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7335739731788635}
WEIGHT165
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS166
the atoms involved in each of the contacts you wish to calculate
=83,661
SWITCH166
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8154194355010986}
WEIGHT166
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS167
the atoms involved in each of the contacts you wish to calculate
=83,663
SWITCH167
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7802172303199768}
WEIGHT167
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS168
the atoms involved in each of the contacts you wish to calculate
=83,665
SWITCH168
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7394839525222778}
WEIGHT168
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS169
the atoms involved in each of the contacts you wish to calculate
=83,2623
SWITCH169
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6664283871650696}
WEIGHT169
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS170
the atoms involved in each of the contacts you wish to calculate
=83,2625
SWITCH170
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6408188343048096}
WEIGHT170
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS171
the atoms involved in each of the contacts you wish to calculate
=83,2627
SWITCH171
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6807906031608582}
WEIGHT171
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS172
the atoms involved in each of the contacts you wish to calculate
=83,2631
SWITCH172
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7577747702598572}
WEIGHT172
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS173
the atoms involved in each of the contacts you wish to calculate
=83,2670
SWITCH173
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467894673347473}
WEIGHT173
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS174
the atoms involved in each of the contacts you wish to calculate
=83,2672
SWITCH174
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4871581196784973}
WEIGHT174
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS175
the atoms involved in each of the contacts you wish to calculate
=83,2675
SWITCH175
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6119329929351807}
WEIGHT175
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS176
the atoms involved in each of the contacts you wish to calculate
=83,2678
SWITCH176
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7316069602966309}
WEIGHT176
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS177
the atoms involved in each of the contacts you wish to calculate
=83,2679
SWITCH177
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8228038549423218}
WEIGHT177
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS178
the atoms involved in each of the contacts you wish to calculate
=83,2680
SWITCH178
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7492292523384094}
WEIGHT178
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS179
the atoms involved in each of the contacts you wish to calculate
=83,2687
SWITCH179
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43351006507873535}
WEIGHT179
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS180
the atoms involved in each of the contacts you wish to calculate
=83,2689
SWITCH180
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4815652370452881}
WEIGHT180
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS181
the atoms involved in each of the contacts you wish to calculate
=83,2692
SWITCH181
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43436673283576965}
WEIGHT181
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS182
the atoms involved in each of the contacts you wish to calculate
=83,2695
SWITCH182
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467674732208252}
WEIGHT182
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS183
the atoms involved in each of the contacts you wish to calculate
=83,2698
SWITCH183
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619409680366516}
WEIGHT183
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS184
the atoms involved in each of the contacts you wish to calculate
=83,2700
SWITCH184
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5459465384483337}
WEIGHT184
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS185
the atoms involved in each of the contacts you wish to calculate
=83,2701
SWITCH185
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5026307702064514}
WEIGHT185
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS186
the atoms involved in each of the contacts you wish to calculate
=83,2704
SWITCH186
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6183369755744934}
WEIGHT186
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS187
the atoms involved in each of the contacts you wish to calculate
=84,584
SWITCH187
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6359981298446655}
WEIGHT187
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS188
the atoms involved in each of the contacts you wish to calculate
=84,586
SWITCH188
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5245013236999512}
WEIGHT188
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS189
the atoms involved in each of the contacts you wish to calculate
=84,588
SWITCH189
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3791157007217407}
WEIGHT189
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS190
the atoms involved in each of the contacts you wish to calculate
=84,592
SWITCH190
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5582054853439331}
WEIGHT190
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS191
the atoms involved in each of the contacts you wish to calculate
=84,650
SWITCH191
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7489091157913208}
WEIGHT191
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS192
the atoms involved in each of the contacts you wish to calculate
=84,652
SWITCH192
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.634943962097168}
WEIGHT192
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS193
the atoms involved in each of the contacts you wish to calculate
=84,655
SWITCH193
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6382222175598145}
WEIGHT193
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS194
the atoms involved in each of the contacts you wish to calculate
=84,656
SWITCH194
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6211105585098267}
WEIGHT194
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS195
the atoms involved in each of the contacts you wish to calculate
=84,658
SWITCH195
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6585385799407959}
WEIGHT195
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS196
the atoms involved in each of the contacts you wish to calculate
=84,660
SWITCH196
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7242143750190735}
WEIGHT196
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS197
the atoms involved in each of the contacts you wish to calculate
=84,661
SWITCH197
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8102027773857117}
WEIGHT197
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS198
the atoms involved in each of the contacts you wish to calculate
=84,663
SWITCH198
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7491664886474609}
WEIGHT198
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS199
the atoms involved in each of the contacts you wish to calculate
=84,665
SWITCH199
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7025509476661682}
WEIGHT199
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS200
the atoms involved in each of the contacts you wish to calculate
=84,2623
SWITCH200
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7613797187805176}
WEIGHT200
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS201
the atoms involved in each of the contacts you wish to calculate
=84,2625
SWITCH201
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7393909096717834}
WEIGHT201
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS202
the atoms involved in each of the contacts you wish to calculate
=84,2627
SWITCH202
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7952523231506348}
WEIGHT202
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS203
the atoms involved in each of the contacts you wish to calculate
=84,2631
SWITCH203
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8447737097740173}
WEIGHT203
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS204
the atoms involved in each of the contacts you wish to calculate
=84,2670
SWITCH204
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6004908680915833}
WEIGHT204
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS205
the atoms involved in each of the contacts you wish to calculate
=84,2672
SWITCH205
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5712877511978149}
WEIGHT205
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS206
the atoms involved in each of the contacts you wish to calculate
=84,2675
SWITCH206
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7087430953979492}
WEIGHT206
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS207
the atoms involved in each of the contacts you wish to calculate
=84,2678
SWITCH207
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8185679912567139}
WEIGHT207
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS208
the atoms involved in each of the contacts you wish to calculate
=84,2679
SWITCH208
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9021114706993103}
WEIGHT208
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS209
the atoms involved in each of the contacts you wish to calculate
=84,2680
SWITCH209
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8321413993835449}
WEIGHT209
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS210
the atoms involved in each of the contacts you wish to calculate
=84,2687
SWITCH210
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41042545437812805}
WEIGHT210
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS211
the atoms involved in each of the contacts you wish to calculate
=84,2689
SWITCH211
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45511651039123535}
WEIGHT211
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS212
the atoms involved in each of the contacts you wish to calculate
=84,2692
SWITCH212
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38046836853027344}
WEIGHT212
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS213
the atoms involved in each of the contacts you wish to calculate
=84,2695
SWITCH213
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4625239968299866}
WEIGHT213
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS214
the atoms involved in each of the contacts you wish to calculate
=84,2698
SWITCH214
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45681431889533997}
WEIGHT214
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS215
the atoms involved in each of the contacts you wish to calculate
=84,2700
SWITCH215
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42154377698898315}
WEIGHT215
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS216
the atoms involved in each of the contacts you wish to calculate
=84,2701
SWITCH216
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37417587637901306}
WEIGHT216
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS217
the atoms involved in each of the contacts you wish to calculate
=84,2704
SWITCH217
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.490617960691452}
WEIGHT217
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS218
the atoms involved in each of the contacts you wish to calculate
=86,584
SWITCH218
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7240015268325806}
WEIGHT218
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS219
the atoms involved in each of the contacts you wish to calculate
=86,586
SWITCH219
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6307170987129211}
WEIGHT219
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS220
the atoms involved in each of the contacts you wish to calculate
=86,588
SWITCH220
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49542808532714844}
WEIGHT220
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS221
the atoms involved in each of the contacts you wish to calculate
=86,592
SWITCH221
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6283707618713379}
WEIGHT221
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS222
the atoms involved in each of the contacts you wish to calculate
=86,650
SWITCH222
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8365533351898193}
WEIGHT222
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS223
the atoms involved in each of the contacts you wish to calculate
=86,652
SWITCH223
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7566362619400024}
WEIGHT223
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS224
the atoms involved in each of the contacts you wish to calculate
=86,655
SWITCH224
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7693386673927307}
WEIGHT224
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS225
the atoms involved in each of the contacts you wish to calculate
=86,656
SWITCH225
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7203338742256165}
WEIGHT225
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS226
the atoms involved in each of the contacts you wish to calculate
=86,658
SWITCH226
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7620297074317932}
WEIGHT226
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS227
the atoms involved in each of the contacts you wish to calculate
=86,660
SWITCH227
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8583394289016724}
WEIGHT227
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS228
the atoms involved in each of the contacts you wish to calculate
=86,661
SWITCH228
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9409445524215698}
WEIGHT228
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS229
the atoms involved in each of the contacts you wish to calculate
=86,663
SWITCH229
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9087017178535461}
WEIGHT229
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS230
the atoms involved in each of the contacts you wish to calculate
=86,665
SWITCH230
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8619062304496765}
WEIGHT230
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS231
the atoms involved in each of the contacts you wish to calculate
=86,2623
SWITCH231
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7169845700263977}
WEIGHT231
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS232
the atoms involved in each of the contacts you wish to calculate
=86,2625
SWITCH232
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6834959983825684}
WEIGHT232
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS233
the atoms involved in each of the contacts you wish to calculate
=86,2627
SWITCH233
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.692775547504425}
WEIGHT233
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS234
the atoms involved in each of the contacts you wish to calculate
=86,2631
SWITCH234
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8089070916175842}
WEIGHT234
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS235
the atoms involved in each of the contacts you wish to calculate
=86,2670
SWITCH235
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6060764789581299}
WEIGHT235
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS236
the atoms involved in each of the contacts you wish to calculate
=86,2672
SWITCH236
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181207060813904}
WEIGHT236
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS237
the atoms involved in each of the contacts you wish to calculate
=86,2675
SWITCH237
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6273994445800781}
WEIGHT237
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS238
the atoms involved in each of the contacts you wish to calculate
=86,2678
SWITCH238
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7430940270423889}
WEIGHT238
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS239
the atoms involved in each of the contacts you wish to calculate
=86,2679
SWITCH239
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8474751710891724}
WEIGHT239
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS240
the atoms involved in each of the contacts you wish to calculate
=86,2680
SWITCH240
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7452439069747925}
WEIGHT240
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS241
the atoms involved in each of the contacts you wish to calculate
=86,2687
SWITCH241
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610818266868591}
WEIGHT241
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS242
the atoms involved in each of the contacts you wish to calculate
=86,2689
SWITCH242
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.617644727230072}
WEIGHT242
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS243
the atoms involved in each of the contacts you wish to calculate
=86,2692
SWITCH243
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742668509483337}
WEIGHT243
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS244
the atoms involved in each of the contacts you wish to calculate
=86,2695
SWITCH244
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6853440403938293}
WEIGHT244
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS245
the atoms involved in each of the contacts you wish to calculate
=86,2698
SWITCH245
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6910494565963745}
WEIGHT245
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS246
the atoms involved in each of the contacts you wish to calculate
=86,2700
SWITCH246
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6638144850730896}
WEIGHT246
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS247
the atoms involved in each of the contacts you wish to calculate
=86,2701
SWITCH247
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6176127791404724}
WEIGHT247
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS248
the atoms involved in each of the contacts you wish to calculate
=86,2704
SWITCH248
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7214447855949402}
WEIGHT248
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS249
the atoms involved in each of the contacts you wish to calculate
=88,584
SWITCH249
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8257133960723877}
WEIGHT249
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS250
the atoms involved in each of the contacts you wish to calculate
=88,586
SWITCH250
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7469635605812073}
WEIGHT250
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS251
the atoms involved in each of the contacts you wish to calculate
=88,588
SWITCH251
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6138039827346802}
WEIGHT251
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS252
the atoms involved in each of the contacts you wish to calculate
=88,592
SWITCH252
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7426144480705261}
WEIGHT252
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS253
the atoms involved in each of the contacts you wish to calculate
=88,650
SWITCH253
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8834666013717651}
WEIGHT253
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS254
the atoms involved in each of the contacts you wish to calculate
=88,652
SWITCH254
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8192144632339478}
WEIGHT254
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS255
the atoms involved in each of the contacts you wish to calculate
=88,655
SWITCH255
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8241855502128601}
WEIGHT255
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS256
the atoms involved in each of the contacts you wish to calculate
=88,656
SWITCH256
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7545161843299866}
WEIGHT256
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS257
the atoms involved in each of the contacts you wish to calculate
=88,658
SWITCH257
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7885397672653198}
WEIGHT257
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS258
the atoms involved in each of the contacts you wish to calculate
=88,660
SWITCH258
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8964353203773499}
WEIGHT258
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS259
the atoms involved in each of the contacts you wish to calculate
=88,661
SWITCH259
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9711530804634094}
WEIGHT259
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS260
the atoms involved in each of the contacts you wish to calculate
=88,663
SWITCH260
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9638135433197021}
WEIGHT260
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS261
the atoms involved in each of the contacts you wish to calculate
=88,665
SWITCH261
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9252039194107056}
WEIGHT261
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS262
the atoms involved in each of the contacts you wish to calculate
=88,2623
SWITCH262
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6527144312858582}
WEIGHT262
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS263
the atoms involved in each of the contacts you wish to calculate
=88,2625
SWITCH263
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6190008521080017}
WEIGHT263
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS264
the atoms involved in each of the contacts you wish to calculate
=88,2627
SWITCH264
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6037590503692627}
WEIGHT264
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS265
the atoms involved in each of the contacts you wish to calculate
=88,2631
SWITCH265
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7534478902816772}
WEIGHT265
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS266
the atoms involved in each of the contacts you wish to calculate
=88,2670
SWITCH266
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.589590311050415}
WEIGHT266
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS267
the atoms involved in each of the contacts you wish to calculate
=88,2672
SWITCH267
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47330838441848755}
WEIGHT267
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS268
the atoms involved in each of the contacts you wish to calculate
=88,2675
SWITCH268
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550546646118164}
WEIGHT268
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS269
the atoms involved in each of the contacts you wish to calculate
=88,2678
SWITCH269
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6750070452690125}
WEIGHT269
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS270
the atoms involved in each of the contacts you wish to calculate
=88,2679
SWITCH270
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7850998640060425}
WEIGHT270
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS271
the atoms involved in each of the contacts you wish to calculate
=88,2680
SWITCH271
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6800620555877686}
WEIGHT271
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS272
the atoms involved in each of the contacts you wish to calculate
=88,2687
SWITCH272
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6187803149223328}
WEIGHT272
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS273
the atoms involved in each of the contacts you wish to calculate
=88,2689
SWITCH273
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6758143901824951}
WEIGHT273
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS274
the atoms involved in each of the contacts you wish to calculate
=88,2692
SWITCH274
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6547264456748962}
WEIGHT274
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS275
the atoms involved in each of the contacts you wish to calculate
=88,2695
SWITCH275
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7811508774757385}
WEIGHT275
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS276
the atoms involved in each of the contacts you wish to calculate
=88,2698
SWITCH276
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8025594353675842}
WEIGHT276
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS277
the atoms involved in each of the contacts you wish to calculate
=88,2700
SWITCH277
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7883719801902771}
WEIGHT277
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS278
the atoms involved in each of the contacts you wish to calculate
=88,2701
SWITCH278
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7429414987564087}
WEIGHT278
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS279
the atoms involved in each of the contacts you wish to calculate
=88,2704
SWITCH279
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8522601127624512}
WEIGHT279
A weight value for a given contact, by default is 1
=0.0035842293906810036
LABEL
a 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
ALPHABETA
Measures a distance including pbc between the instantaneous values of a set of torsional angles and set of reference values. More details
...
ATOMS1
the atoms involved in each of the alpha-beta variables you wish to calculate
=16,18,20,23
REFERENCE1
the reference values for each of the torsional angles
=1.5415784120559692
ATOMS2
the atoms involved in each of the alpha-beta variables you wish to calculate
=18,20,23,25
REFERENCE2
the reference values for each of the torsional angles
=-1.1005675792694092
ATOMS3
the atoms involved in each of the alpha-beta variables you wish to calculate
=23,25,27,35
REFERENCE3
the reference values for each of the torsional angles
=-1.1071521043777466
ATOMS4
the atoms involved in each of the alpha-beta variables you wish to calculate
=25,27,35,37
REFERENCE4
the reference values for each of the torsional angles
=-0.5905115008354187
ATOMS5
the atoms involved in each of the alpha-beta variables you wish to calculate
=35,37,39,50
REFERENCE5
the reference values for each of the torsional angles
=-0.9004539251327515
ATOMS6
the atoms involved in each of the alpha-beta variables you wish to calculate
=37,39,50,52
REFERENCE6
the reference values for each of the torsional angles
=-0.6792753338813782
ATOMS7
the atoms involved in each of the alpha-beta variables you wish to calculate
=50,52,54,69
REFERENCE7
the reference values for each of the torsional angles
=-1.3559045791625977
ATOMS8
the atoms involved in each of the alpha-beta variables you wish to calculate
=52,54,69,71
REFERENCE8
the reference values for each of the torsional angles
=-0.643721342086792
ATOMS9
the atoms involved in each of the alpha-beta variables you wish to calculate
=69,71,73,90
REFERENCE9
the reference values for each of the torsional angles
=-1.0945172309875488
ATOMS10
the atoms involved in each of the alpha-beta variables you wish to calculate
=71,73,90,92
REFERENCE10
the reference values for each of the torsional angles
=-0.8885443210601807
ATOMS11
the atoms involved in each of the alpha-beta variables you wish to calculate
=90,92,94,105
REFERENCE11
the reference values for each of the torsional angles
=-1.2611130475997925
ATOMS12
the atoms involved in each of the alpha-beta variables you wish to calculate
=92,94,105,107
REFERENCE12
the reference values for each of the torsional angles
=-0.6172705888748169
ATOMS13
the atoms involved in each of the alpha-beta variables you wish to calculate
=105,107,109,117
REFERENCE13
the reference values for each of the torsional angles
=-0.96987384557724
ATOMS14
the atoms involved in each of the alpha-beta variables you wish to calculate
=107,109,117,119
REFERENCE14
the reference values for each of the torsional angles
=-0.5412485599517822
ATOMS15
the atoms involved in each of the alpha-beta variables you wish to calculate
=117,119,121,136
REFERENCE15
the reference values for each of the torsional angles
=-1.4444003105163574
ATOMS16
the atoms involved in each of the alpha-beta variables you wish to calculate
=119,121,136,138
REFERENCE16
the reference values for each of the torsional angles
=-0.9746055006980896
LABEL
a label for the action so that its output can be referenced in the input to other actions
=ab ... ALPHABETA
hh:
ALPHARMSD
Probe the alpha helical content of a protein structure. More details
RESIDUES
this command is used to specify the set of residues that could conceivably form part of the secondary structure
=1-9
TYPE
the manner in which RMSD alignment is performed
=DRMSD
R_0
The r_0 parameter of the switching function
=0.1
NN
The n parameter of the switching function
=6
MM
The m parameter of the switching function
=12
PBMETAD
Used to performed Parallel Bias metadynamics. More details
...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=pbmetad
WALKERS_MPI
Switch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIR
ARG
the input for this action is the scalar output from one or more other actions
=qh,qtyr,qtyra,ab,hh
PACE
the frequency for hill addition, one for all biases
=500
HEIGHT
the height of the Gaussian hills, one for all biases
=1
BIASFACTOR
use well tempered metadynamics with this bias factor, one for all biases
=44
SIGMA
the widths of the Gaussian hills
=0.02,0.02,0.02,0.3,0.04
GRID_MIN
the lower bounds for the grid
=0.,0.,0.,0.,0
GRID_MAX
the upper bounds for the grid
=1.,1.,1.,16.,4
TEMP
the system temperature - this is only needed if you are doing well-tempered metadynamics
=300 ... PBMETAD