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

Click on the labels of the actions for more information on what each action computes
tested onv2.8
tested onmaster
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
=0.0012903225806451613
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
=0.0012903225806451613
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
=0.0012903225806451613
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
=0.0012903225806451613
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
=0.0012903225806451613
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
=0.0012903225806451613
ATOMS7
the atoms involved in each of the contacts you wish to calculate
=13,2546
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=0.5190422534942627}
WEIGHT7
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS8
the atoms involved in each of the contacts you wish to calculate
=13,2614
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=0.4613436460494995}
WEIGHT8
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS9
the atoms involved in each of the contacts you wish to calculate
=13,2615
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=0.452181339263916}
WEIGHT9
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS10
the atoms involved in each of the contacts you wish to calculate
=14,62
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=0.5936009287834167}
WEIGHT10
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS11
the atoms involved in each of the contacts you wish to calculate
=14,2546
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=0.48446276783943176}
WEIGHT11
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS12
the atoms involved in each of the contacts you wish to calculate
=14,2562
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=0.5097001194953918}
WEIGHT12
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS13
the atoms involved in each of the contacts you wish to calculate
=14,2611
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=0.5882064700126648}
WEIGHT13
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS14
the atoms involved in each of the contacts you wish to calculate
=14,2614
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=0.4207860827445984}
WEIGHT14
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS15
the atoms involved in each of the contacts you wish to calculate
=14,2615
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=0.4133533835411072}
WEIGHT15
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS16
the atoms involved in each of the contacts you wish to calculate
=15,2546
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=0.49514731764793396}
WEIGHT16
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS17
the atoms involved in each of the contacts you wish to calculate
=15,2614
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=0.5561921000480652}
WEIGHT17
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS18
the atoms involved in each of the contacts you wish to calculate
=15,2615
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=0.5145383477210999}
WEIGHT18
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS19
the atoms involved in each of the contacts you wish to calculate
=16,2614
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=0.5202739238739014}
WEIGHT19
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS20
the atoms involved in each of the contacts you wish to calculate
=17,2678
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=0.5749780535697937}
WEIGHT20
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS21
the atoms involved in each of the contacts you wish to calculate
=17,2679
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=0.5931851267814636}
WEIGHT21
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS22
the atoms involved in each of the contacts you wish to calculate
=17,2680
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=0.5596337914466858}
WEIGHT22
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS23
the atoms involved in each of the contacts you wish to calculate
=18,2608
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=0.5085017085075378}
WEIGHT23
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS24
the atoms involved in each of the contacts you wish to calculate
=18,2611
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=0.5004380345344543}
WEIGHT24
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS25
the atoms involved in each of the contacts you wish to calculate
=18,2614
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=0.41073325276374817}
WEIGHT25
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS26
the atoms involved in each of the contacts you wish to calculate
=18,2615
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=0.555889904499054}
WEIGHT26
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS27
the atoms involved in each of the contacts you wish to calculate
=20,71
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=0.5953109860420227}
WEIGHT27
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS28
the atoms involved in each of the contacts you wish to calculate
=20,2606
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=0.5293876528739929}
WEIGHT28
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS29
the atoms involved in each of the contacts you wish to calculate
=20,2608
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=0.3991015553474426}
WEIGHT29
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS30
the atoms involved in each of the contacts you wish to calculate
=20,2611
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=0.4267391562461853}
WEIGHT30
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS31
the atoms involved in each of the contacts you wish to calculate
=20,2614
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=0.384861022233963}
WEIGHT31
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS32
the atoms involved in each of the contacts you wish to calculate
=20,2615
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=0.55092453956604}
WEIGHT32
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS33
the atoms involved in each of the contacts you wish to calculate
=20,2619
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=0.567723274230957}
WEIGHT33
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS34
the atoms involved in each of the contacts you wish to calculate
=20,2620
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=0.5740474462509155}
WEIGHT34
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS35
the atoms involved in each of the contacts you wish to calculate
=20,2675
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=0.5158069133758545}
WEIGHT35
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS36
the atoms involved in each of the contacts you wish to calculate
=20,2678
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=0.5013919472694397}
WEIGHT36
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS37
the atoms involved in each of the contacts you wish to calculate
=20,2679
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=0.5244279503822327}
WEIGHT37
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS38
the atoms involved in each of the contacts you wish to calculate
=20,2680
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=0.5442516803741455}
WEIGHT38
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS39
the atoms involved in each of the contacts you wish to calculate
=23,71
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=0.4722512364387512}
WEIGHT39
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS40
the atoms involved in each of the contacts you wish to calculate
=23,73
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=0.5677766799926758}
WEIGHT40
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS41
the atoms involved in each of the contacts you wish to calculate
=23,75
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=0.5222311019897461}
WEIGHT41
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS42
the atoms involved in each of the contacts you wish to calculate
=23,2606
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=0.5827943682670593}
WEIGHT42
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS43
the atoms involved in each of the contacts you wish to calculate
=23,2608
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=0.46802353858947754}
WEIGHT43
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS44
the atoms involved in each of the contacts you wish to calculate
=23,2611
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=0.5313400626182556}
WEIGHT44
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS45
the atoms involved in each of the contacts you wish to calculate
=23,2614
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=0.49840518832206726}
WEIGHT45
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS46
the atoms involved in each of the contacts you wish to calculate
=23,2619
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=0.5852264165878296}
WEIGHT46
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS47
the atoms involved in each of the contacts you wish to calculate
=23,2620
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=0.586176335811615}
WEIGHT47
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS48
the atoms involved in each of the contacts you wish to calculate
=23,2672
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=0.5724631547927856}
WEIGHT48
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS49
the atoms involved in each of the contacts you wish to calculate
=23,2675
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=0.4418203830718994}
WEIGHT49
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS50
the atoms involved in each of the contacts you wish to calculate
=23,2678
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=0.44946226477622986}
WEIGHT50
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS51
the atoms involved in each of the contacts you wish to calculate
=23,2679
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=0.5072013139724731}
WEIGHT51
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS52
the atoms involved in each of the contacts you wish to calculate
=23,2680
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=0.4773576855659485}
WEIGHT52
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS53
the atoms involved in each of the contacts you wish to calculate
=24,71
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=0.36075639724731445}
WEIGHT53
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS54
the atoms involved in each of the contacts you wish to calculate
=24,73
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=0.4602675437927246}
WEIGHT54
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS55
the atoms involved in each of the contacts you wish to calculate
=24,75
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=0.4309259355068207}
WEIGHT55
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS56
the atoms involved in each of the contacts you wish to calculate
=24,78
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=0.5696892142295837}
WEIGHT56
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS57
the atoms involved in each of the contacts you wish to calculate
=24,90
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=0.5759915709495544}
WEIGHT57
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS58
the atoms involved in each of the contacts you wish to calculate
=24,92
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=0.5737916827201843}
WEIGHT58
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS59
the atoms involved in each of the contacts you wish to calculate
=24,2606
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=0.5465536713600159}
WEIGHT59
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS60
the atoms involved in each of the contacts you wish to calculate
=24,2608
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=0.4407060742378235}
WEIGHT60
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS61
the atoms involved in each of the contacts you wish to calculate
=24,2611
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=0.5248677134513855}
WEIGHT61
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS62
the atoms involved in each of the contacts you wish to calculate
=24,2614
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=0.5014955401420593}
WEIGHT62
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS63
the atoms involved in each of the contacts you wish to calculate
=24,2619
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=0.5348827242851257}
WEIGHT63
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS64
the atoms involved in each of the contacts you wish to calculate
=24,2620
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=0.5512351393699646}
WEIGHT64
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS65
the atoms involved in each of the contacts you wish to calculate
=24,2621
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=0.5498201847076416}
WEIGHT65
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS66
the atoms involved in each of the contacts you wish to calculate
=24,2623
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=0.5609894394874573}
WEIGHT66
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS67
the atoms involved in each of the contacts you wish to calculate
=24,2627
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=0.5207704305648804}
WEIGHT67
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS68
the atoms involved in each of the contacts you wish to calculate
=24,2672
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=0.5424293279647827}
WEIGHT68
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS69
the atoms involved in each of the contacts you wish to calculate
=24,2675
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=0.42329293489456177}
WEIGHT69
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS70
the atoms involved in each of the contacts you wish to calculate
=24,2678
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=0.47217997908592224}
WEIGHT70
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS71
the atoms involved in each of the contacts you wish to calculate
=24,2679
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=0.5396524667739868}
WEIGHT71
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS72
the atoms involved in each of the contacts you wish to calculate
=24,2680
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=0.515897274017334}
WEIGHT72
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS73
the atoms involved in each of the contacts you wish to calculate
=25,2608
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=0.5896017551422119}
WEIGHT73
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS74
the atoms involved in each of the contacts you wish to calculate
=25,2672
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=0.5636327862739563}
WEIGHT74
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS75
the atoms involved in each of the contacts you wish to calculate
=25,2675
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=0.4471566081047058}
WEIGHT75
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS76
the atoms involved in each of the contacts you wish to calculate
=25,2678
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=0.42888006567955017}
WEIGHT76
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS77
the atoms involved in each of the contacts you wish to calculate
=25,2679
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=0.5004608631134033}
WEIGHT77
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS78
the atoms involved in each of the contacts you wish to calculate
=25,2680
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=0.4185190498828888}
WEIGHT78
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS79
the atoms involved in each of the contacts you wish to calculate
=27,92
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=0.5413738489151001}
WEIGHT79
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS80
the atoms involved in each of the contacts you wish to calculate
=27,99
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=0.5550334453582764}
WEIGHT80
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS81
the atoms involved in each of the contacts you wish to calculate
=27,2672
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=0.516051173210144}
WEIGHT81
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS82
the atoms involved in each of the contacts you wish to calculate
=27,2675
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=0.4324117600917816}
WEIGHT82
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS83
the atoms involved in each of the contacts you wish to calculate
=27,2678
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=0.4340057075023651}
WEIGHT83
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS84
the atoms involved in each of the contacts you wish to calculate
=27,2679
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=0.5321541428565979}
WEIGHT84
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS85
the atoms involved in each of the contacts you wish to calculate
=27,2680
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=0.4001438617706299}
WEIGHT85
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS86
the atoms involved in each of the contacts you wish to calculate
=27,2760
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=0.5404572486877441}
WEIGHT86
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS87
the atoms involved in each of the contacts you wish to calculate
=29,99
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=0.5563212037086487}
WEIGHT87
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS88
the atoms involved in each of the contacts you wish to calculate
=29,2672
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=0.5650114417076111}
WEIGHT88
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS89
the atoms involved in each of the contacts you wish to calculate
=29,2675
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=0.5007882118225098}
WEIGHT89
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS90
the atoms involved in each of the contacts you wish to calculate
=29,2678
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=0.46722137928009033}
WEIGHT90
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS91
the atoms involved in each of the contacts you wish to calculate
=29,2679
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=0.5638341307640076}
WEIGHT91
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS92
the atoms involved in each of the contacts you wish to calculate
=29,2680
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=0.3904639184474945}
WEIGHT92
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS93
the atoms involved in each of the contacts you wish to calculate
=29,2757
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=0.5927574038505554}
WEIGHT93
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS94
the atoms involved in each of the contacts you wish to calculate
=29,2760
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=0.49213939905166626}
WEIGHT94
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS95
the atoms involved in each of the contacts you wish to calculate
=32,99
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=0.5191494226455688}
WEIGHT95
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS96
the atoms involved in each of the contacts you wish to calculate
=32,102
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=0.5889125466346741}
WEIGHT96
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS97
the atoms involved in each of the contacts you wish to calculate
=32,2672
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=0.5022460222244263}
WEIGHT97
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS98
the atoms involved in each of the contacts you wish to calculate
=32,2675
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=0.47684159874916077}
WEIGHT98
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS99
the atoms involved in each of the contacts you wish to calculate
=32,2678
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=0.4437395930290222}
WEIGHT99
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS100
the atoms involved in each of the contacts you wish to calculate
=32,2679
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=0.550187349319458}
WEIGHT100
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS101
the atoms involved in each of the contacts you wish to calculate
=32,2680
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=0.34333813190460205}
WEIGHT101
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS102
the atoms involved in each of the contacts you wish to calculate
=32,2754
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=0.5969977378845215}
WEIGHT102
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS103
the atoms involved in each of the contacts you wish to calculate
=32,2757
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=0.4662296772003174}
WEIGHT103
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS104
the atoms involved in each of the contacts you wish to calculate
=32,2760
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=0.35084468126296997}
WEIGHT104
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS105
the atoms involved in each of the contacts you wish to calculate
=33,92
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=0.5789807438850403}
WEIGHT105
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS106
the atoms involved in each of the contacts you wish to calculate
=33,99
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=0.513350784778595}
WEIGHT106
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS107
the atoms involved in each of the contacts you wish to calculate
=33,102
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=0.5722209811210632}
WEIGHT107
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS108
the atoms involved in each of the contacts you wish to calculate
=33,2668
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=0.5915659666061401}
WEIGHT108
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS109
the atoms involved in each of the contacts you wish to calculate
=33,2670
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=0.4922378659248352}
WEIGHT109
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS110
the atoms involved in each of the contacts you wish to calculate
=33,2672
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=0.3836851418018341}
WEIGHT110
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS111
the atoms involved in each of the contacts you wish to calculate
=33,2675
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=0.377132773399353}
WEIGHT111
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS112
the atoms involved in each of the contacts you wish to calculate
=33,2678
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=0.36823368072509766}
WEIGHT112
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS113
the atoms involved in each of the contacts you wish to calculate
=33,2679
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=0.4850786626338959}
WEIGHT113
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS114
the atoms involved in each of the contacts you wish to calculate
=33,2680
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=0.28270500898361206}
WEIGHT114
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS115
the atoms involved in each of the contacts you wish to calculate
=33,2683
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=0.5811462998390198}
WEIGHT115
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS116
the atoms involved in each of the contacts you wish to calculate
=33,2684
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=0.5934146046638489}
WEIGHT116
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS117
the atoms involved in each of the contacts you wish to calculate
=33,2751
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=0.5508733987808228}
WEIGHT117
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS118
the atoms involved in each of the contacts you wish to calculate
=33,2754
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=0.5102052688598633}
WEIGHT118
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS119
the atoms involved in each of the contacts you wish to calculate
=33,2757
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=0.3786570429801941}
WEIGHT119
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS120
the atoms involved in each of the contacts you wish to calculate
=33,2760
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=0.2831907868385315}
WEIGHT120
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS121
the atoms involved in each of the contacts you wish to calculate
=34,99
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=0.5657216906547546}
WEIGHT121
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS122
the atoms involved in each of the contacts you wish to calculate
=34,2672
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=0.587437093257904}
WEIGHT122
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS123
the atoms involved in each of the contacts you wish to calculate
=34,2675
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=0.5748348236083984}
WEIGHT123
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS124
the atoms involved in each of the contacts you wish to calculate
=34,2678
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=0.5223351120948792}
WEIGHT124
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS125
the atoms involved in each of the contacts you wish to calculate
=34,2680
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=0.40363872051239014}
WEIGHT125
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS126
the atoms involved in each of the contacts you wish to calculate
=34,2757
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=0.49774396419525146}
WEIGHT126
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS127
the atoms involved in each of the contacts you wish to calculate
=34,2760
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=0.3613321781158447}
WEIGHT127
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS128
the atoms involved in each of the contacts you wish to calculate
=35,92
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=0.4354642629623413}
WEIGHT128
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS129
the atoms involved in each of the contacts you wish to calculate
=35,94
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=0.5330639481544495}
WEIGHT129
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS130
the atoms involved in each of the contacts you wish to calculate
=35,96
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=0.5001931190490723}
WEIGHT130
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS131
the atoms involved in each of the contacts you wish to calculate
=35,99
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=0.46458980441093445}
WEIGHT131
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS132
the atoms involved in each of the contacts you wish to calculate
=35,102
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=0.5992807745933533}
WEIGHT132
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS133
the atoms involved in each of the contacts you wish to calculate
=35,107
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=0.5969147086143494}
WEIGHT133
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS134
the atoms involved in each of the contacts you wish to calculate
=35,2675
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=0.5383909344673157}
WEIGHT134
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS135
the atoms involved in each of the contacts you wish to calculate
=35,2678
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=0.5681493878364563}
WEIGHT135
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS136
the atoms involved in each of the contacts you wish to calculate
=35,2680
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=0.5403276681900024}
WEIGHT136
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS137
the atoms involved in each of the contacts you wish to calculate
=35,2760
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=0.5831187963485718}
WEIGHT137
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS138
the atoms involved in each of the contacts you wish to calculate
=36,92
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=0.3130080997943878}
WEIGHT138
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS139
the atoms involved in each of the contacts you wish to calculate
=36,94
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=0.4137173295021057}
WEIGHT139
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS140
the atoms involved in each of the contacts you wish to calculate
=36,96
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=0.39495566487312317}
WEIGHT140
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS141
the atoms involved in each of the contacts you wish to calculate
=36,99
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=0.37117165327072144}
WEIGHT141
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS142
the atoms involved in each of the contacts you wish to calculate
=36,102
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=0.5072535872459412}
WEIGHT142
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS143
the atoms involved in each of the contacts you wish to calculate
=36,103
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=0.5630761384963989}
WEIGHT143
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS144
the atoms involved in each of the contacts you wish to calculate
=36,104
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=0.5923940539360046}
WEIGHT144
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS145
the atoms involved in each of the contacts you wish to calculate
=36,105
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=0.5115256309509277}
WEIGHT145
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS146
the atoms involved in each of the contacts you wish to calculate
=36,107
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=0.4952453672885895}
WEIGHT146
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS147
the atoms involved in each of the contacts you wish to calculate
=36,2672
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=0.5923876762390137}
WEIGHT147
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS148
the atoms involved in each of the contacts you wish to calculate
=36,2675
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=0.5485928654670715}
WEIGHT148
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS149
the atoms involved in each of the contacts you wish to calculate
=36,2680
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=0.583881139755249}
WEIGHT149
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS150
the atoms involved in each of the contacts you wish to calculate
=36,2757
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=0.5736783146858215}
WEIGHT150
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS151
the atoms involved in each of the contacts you wish to calculate
=36,2760
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=0.5473650693893433}
WEIGHT151
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS152
the atoms involved in each of the contacts you wish to calculate
=39,107
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=0.5196257829666138}
WEIGHT152
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS153
the atoms involved in each of the contacts you wish to calculate
=39,111
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=0.5673843622207642}
WEIGHT153
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS154
the atoms involved in each of the contacts you wish to calculate
=50,107
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=0.40717196464538574}
WEIGHT154
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS155
the atoms involved in each of the contacts you wish to calculate
=50,109
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=0.4873991310596466}
WEIGHT155
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS156
the atoms involved in each of the contacts you wish to calculate
=50,111
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=0.4420057237148285}
WEIGHT156
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS157
the atoms involved in each of the contacts you wish to calculate
=50,114
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=0.5708449482917786}
WEIGHT157
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS158
the atoms involved in each of the contacts you wish to calculate
=51,107
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=0.2938857972621918}
WEIGHT158
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS159
the atoms involved in each of the contacts you wish to calculate
=51,109
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=0.37061816453933716}
WEIGHT159
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS160
the atoms involved in each of the contacts you wish to calculate
=51,111
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=0.3372995853424072}
WEIGHT160
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS161
the atoms involved in each of the contacts you wish to calculate
=51,114
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=0.4706655740737915}
WEIGHT161
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS162
the atoms involved in each of the contacts you wish to calculate
=51,115
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=0.5488508939743042}
WEIGHT162
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS163
the atoms involved in each of the contacts you wish to calculate
=51,116
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=0.5303713083267212}
WEIGHT163
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS164
the atoms involved in each of the contacts you wish to calculate
=51,117
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=0.49742230772972107}
WEIGHT164
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS165
the atoms involved in each of the contacts you wish to calculate
=51,119
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=0.5170280337333679}
WEIGHT165
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS166
the atoms involved in each of the contacts you wish to calculate
=51,2491
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=0.5902647972106934}
WEIGHT166
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS167
the atoms involved in each of the contacts you wish to calculate
=52,2491
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=0.570267915725708}
WEIGHT167
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS168
the atoms involved in each of the contacts you wish to calculate
=52,2627
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=0.5942329168319702}
WEIGHT168
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS169
the atoms involved in each of the contacts you wish to calculate
=54,119
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=0.5332401394844055}
WEIGHT169
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS170
the atoms involved in each of the contacts you wish to calculate
=54,123
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=0.5982155799865723}
WEIGHT170
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS171
the atoms involved in each of the contacts you wish to calculate
=54,2489
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=0.5041608810424805}
WEIGHT171
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS172
the atoms involved in each of the contacts you wish to calculate
=54,2491
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=0.44624415040016174}
WEIGHT172
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS173
the atoms involved in each of the contacts you wish to calculate
=54,2493
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=0.505925178527832}
WEIGHT173
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS174
the atoms involved in each of the contacts you wish to calculate
=54,2627
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=0.5035719275474548}
WEIGHT174
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS175
the atoms involved in each of the contacts you wish to calculate
=56,2484
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=0.5807527899742126}
WEIGHT175
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS176
the atoms involved in each of the contacts you wish to calculate
=56,2489
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=0.5446047782897949}
WEIGHT176
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS177
the atoms involved in each of the contacts you wish to calculate
=56,2491
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=0.46060168743133545}
WEIGHT177
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS178
the atoms involved in each of the contacts you wish to calculate
=56,2493
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=0.47651466727256775}
WEIGHT178
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS179
the atoms involved in each of the contacts you wish to calculate
=56,2556
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=0.5607534050941467}
WEIGHT179
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS180
the atoms involved in each of the contacts you wish to calculate
=56,2558
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=0.5088067054748535}
WEIGHT180
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS181
the atoms involved in each of the contacts you wish to calculate
=56,2561
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=0.5793740153312683}
WEIGHT181
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS182
the atoms involved in each of the contacts you wish to calculate
=56,2562
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=0.5907469987869263}
WEIGHT182
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS183
the atoms involved in each of the contacts you wish to calculate
=56,2564
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=0.5451614260673523}
WEIGHT183
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS184
the atoms involved in each of the contacts you wish to calculate
=56,2565
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=0.5082892775535583}
WEIGHT184
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS185
the atoms involved in each of the contacts you wish to calculate
=56,2608
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=0.5343676209449768}
WEIGHT185
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS186
the atoms involved in each of the contacts you wish to calculate
=56,2611
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=0.5906954407691956}
WEIGHT186
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS187
the atoms involved in each of the contacts you wish to calculate
=56,2614
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=0.5247218012809753}
WEIGHT187
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS188
the atoms involved in each of the contacts you wish to calculate
=56,2625
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=0.5954309701919556}
WEIGHT188
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS189
the atoms involved in each of the contacts you wish to calculate
=56,2627
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=0.452328085899353}
WEIGHT189
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS190
the atoms involved in each of the contacts you wish to calculate
=58,123
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=0.5879328846931458}
WEIGHT190
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS191
the atoms involved in each of the contacts you wish to calculate
=58,2481
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=0.5321964621543884}
WEIGHT191
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS192
the atoms involved in each of the contacts you wish to calculate
=58,2484
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=0.4766978323459625}
WEIGHT192
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS193
the atoms involved in each of the contacts you wish to calculate
=58,2485
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=0.551134467124939}
WEIGHT193
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS194
the atoms involved in each of the contacts you wish to calculate
=58,2487
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=0.549913763999939}
WEIGHT194
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS195
the atoms involved in each of the contacts you wish to calculate
=58,2489
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=0.48523950576782227}
WEIGHT195
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS196
the atoms involved in each of the contacts you wish to calculate
=58,2491
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=0.40989378094673157}
WEIGHT196
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS197
the atoms involved in each of the contacts you wish to calculate
=58,2493
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=0.39925074577331543}
WEIGHT197
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS198
the atoms involved in each of the contacts you wish to calculate
=58,2556
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=0.4958239793777466}
WEIGHT198
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS199
the atoms involved in each of the contacts you wish to calculate
=58,2558
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=0.4450991153717041}
WEIGHT199
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS200
the atoms involved in each of the contacts you wish to calculate
=58,2561
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=0.5452660918235779}
WEIGHT200
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS201
the atoms involved in each of the contacts you wish to calculate
=58,2562
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=0.5861696600914001}
WEIGHT201
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS202
the atoms involved in each of the contacts you wish to calculate
=58,2564
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=0.45119398832321167}
WEIGHT202
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS203
the atoms involved in each of the contacts you wish to calculate
=58,2565
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=0.4243546724319458}
WEIGHT203
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS204
the atoms involved in each of the contacts you wish to calculate
=58,2566
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=0.5097145438194275}
WEIGHT204
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS205
the atoms involved in each of the contacts you wish to calculate
=58,2568
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=0.5655313730239868}
WEIGHT205
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS206
the atoms involved in each of the contacts you wish to calculate
=58,2579
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=0.5671209096908569}
WEIGHT206
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS207
the atoms involved in each of the contacts you wish to calculate
=58,2608
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=0.5321520566940308}
WEIGHT207
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS208
the atoms involved in each of the contacts you wish to calculate
=58,2611
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=0.5979047417640686}
WEIGHT208
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS209
the atoms involved in each of the contacts you wish to calculate
=58,2614
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=0.5613822340965271}
WEIGHT209
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS210
the atoms involved in each of the contacts you wish to calculate
=58,2621
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=0.5451663732528687}
WEIGHT210
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS211
the atoms involved in each of the contacts you wish to calculate
=58,2623
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=0.5671552419662476}
WEIGHT211
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS212
the atoms involved in each of the contacts you wish to calculate
=58,2625
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=0.5086638927459717}
WEIGHT212
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS213
the atoms involved in each of the contacts you wish to calculate
=58,2627
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=0.36042720079421997}
WEIGHT213
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS214
the atoms involved in each of the contacts you wish to calculate
=58,2631
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=0.5572584867477417}
WEIGHT214
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS215
the atoms involved in each of the contacts you wish to calculate
=62,2491
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=0.4959251284599304}
WEIGHT215
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS216
the atoms involved in each of the contacts you wish to calculate
=62,2493
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=0.4925505816936493}
WEIGHT216
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS217
the atoms involved in each of the contacts you wish to calculate
=62,2556
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=0.5099693536758423}
WEIGHT217
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS218
the atoms involved in each of the contacts you wish to calculate
=62,2558
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=0.4461304247379303}
WEIGHT218
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS219
the atoms involved in each of the contacts you wish to calculate
=62,2561
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=0.48229286074638367}
WEIGHT219
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS220
the atoms involved in each of the contacts you wish to calculate
=62,2562
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=0.4720786213874817}
WEIGHT220
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS221
the atoms involved in each of the contacts you wish to calculate
=62,2563
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=0.5577703714370728}
WEIGHT221
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS222
the atoms involved in each of the contacts you wish to calculate
=62,2564
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=0.5365828275680542}
WEIGHT222
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS223
the atoms involved in each of the contacts you wish to calculate
=62,2565
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=0.5174807906150818}
WEIGHT223
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS224
the atoms involved in each of the contacts you wish to calculate
=62,2608
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=0.5378225445747375}
WEIGHT224
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS225
the atoms involved in each of the contacts you wish to calculate
=62,2611
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=0.5543369650840759}
WEIGHT225
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS226
the atoms involved in each of the contacts you wish to calculate
=62,2614
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=0.44685274362564087}
WEIGHT226
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS227
the atoms involved in each of the contacts you wish to calculate
=62,2615
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=0.5792229175567627}
WEIGHT227
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS228
the atoms involved in each of the contacts you wish to calculate
=62,2627
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=0.5770829319953918}
WEIGHT228
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS229
the atoms involved in each of the contacts you wish to calculate
=65,2476
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=0.585429847240448}
WEIGHT229
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS230
the atoms involved in each of the contacts you wish to calculate
=65,2481
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=0.5823349952697754}
WEIGHT230
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS231
the atoms involved in each of the contacts you wish to calculate
=65,2484
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=0.5270158052444458}
WEIGHT231
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS232
the atoms involved in each of the contacts you wish to calculate
=65,2489
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=0.5300132632255554}
WEIGHT232
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS233
the atoms involved in each of the contacts you wish to calculate
=65,2491
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=0.4038487672805786}
WEIGHT233
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS234
the atoms involved in each of the contacts you wish to calculate
=65,2493
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=0.3975047171115875}
WEIGHT234
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS235
the atoms involved in each of the contacts you wish to calculate
=65,2556
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=0.5365263819694519}
WEIGHT235
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS236
the atoms involved in each of the contacts you wish to calculate
=65,2558
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=0.43273791670799255}
WEIGHT236
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS237
the atoms involved in each of the contacts you wish to calculate
=65,2561
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=0.4378633499145508}
WEIGHT237
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS238
the atoms involved in each of the contacts you wish to calculate
=65,2562
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=0.4420183002948761}
WEIGHT238
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS239
the atoms involved in each of the contacts you wish to calculate
=65,2563
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=0.4833071529865265}
WEIGHT239
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS240
the atoms involved in each of the contacts you wish to calculate
=65,2564
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=0.5817170143127441}
WEIGHT240
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS241
the atoms involved in each of the contacts you wish to calculate
=65,2565
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=0.5931829810142517}
WEIGHT241
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS242
the atoms involved in each of the contacts you wish to calculate
=65,2614
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=0.54828941822052}
WEIGHT242
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS243
the atoms involved in each of the contacts you wish to calculate
=69,119
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=0.4360518753528595}
WEIGHT243
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS244
the atoms involved in each of the contacts you wish to calculate
=69,121
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=0.5199857950210571}
WEIGHT244
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS245
the atoms involved in each of the contacts you wish to calculate
=69,123
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=0.4815289378166199}
WEIGHT245
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS246
the atoms involved in each of the contacts you wish to calculate
=69,2487
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=0.5907658934593201}
WEIGHT246
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS247
the atoms involved in each of the contacts you wish to calculate
=69,2489
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=0.4980502426624298}
WEIGHT247
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS248
the atoms involved in each of the contacts you wish to calculate
=69,2491
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=0.478290319442749}
WEIGHT248
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS249
the atoms involved in each of the contacts you wish to calculate
=69,2493
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=0.5465455651283264}
WEIGHT249
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS250
the atoms involved in each of the contacts you wish to calculate
=69,2625
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=0.5617954730987549}
WEIGHT250
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS251
the atoms involved in each of the contacts you wish to calculate
=69,2627
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=0.42400580644607544}
WEIGHT251
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS252
the atoms involved in each of the contacts you wish to calculate
=70,119
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=0.32677388191223145}
WEIGHT252
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS253
the atoms involved in each of the contacts you wish to calculate
=70,121
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=0.4037042558193207}
WEIGHT253
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS254
the atoms involved in each of the contacts you wish to calculate
=70,123
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=0.36688151955604553}
WEIGHT254
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS255
the atoms involved in each of the contacts you wish to calculate
=70,126
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=0.5034090876579285}
WEIGHT255
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS256
the atoms involved in each of the contacts you wish to calculate
=70,128
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=0.5942509770393372}
WEIGHT256
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS257
the atoms involved in each of the contacts you wish to calculate
=70,132
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=0.5065158009529114}
WEIGHT257
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS258
the atoms involved in each of the contacts you wish to calculate
=70,136
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=0.5196980834007263}
WEIGHT258
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS259
the atoms involved in each of the contacts you wish to calculate
=70,138
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=0.5132380127906799}
WEIGHT259
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS260
the atoms involved in each of the contacts you wish to calculate
=70,2484
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=0.5650851130485535}
WEIGHT260
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS261
the atoms involved in each of the contacts you wish to calculate
=70,2485
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=0.567402720451355}
WEIGHT261
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS262
the atoms involved in each of the contacts you wish to calculate
=70,2487
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=0.48975709080696106}
WEIGHT262
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS263
the atoms involved in each of the contacts you wish to calculate
=70,2489
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=0.40472182631492615}
WEIGHT263
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS264
the atoms involved in each of the contacts you wish to calculate
=70,2491
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=0.41375279426574707}
WEIGHT264
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS265
the atoms involved in each of the contacts you wish to calculate
=70,2493
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=0.4953722655773163}
WEIGHT265
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS266
the atoms involved in each of the contacts you wish to calculate
=70,2625
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=0.5846248269081116}
WEIGHT266
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS267
the atoms involved in each of the contacts you wish to calculate
=70,2627
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=0.44657471776008606}
WEIGHT267
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS268
the atoms involved in each of the contacts you wish to calculate
=71,2623
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=0.5610796809196472}
WEIGHT268
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS269
the atoms involved in each of the contacts you wish to calculate
=71,2625
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=0.5159304141998291}
WEIGHT269
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS270
the atoms involved in each of the contacts you wish to calculate
=71,2627
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=0.40010371804237366}
WEIGHT270
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS271
the atoms involved in each of the contacts you wish to calculate
=71,2672
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=0.5967335104942322}
WEIGHT271
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS272
the atoms involved in each of the contacts you wish to calculate
=71,2675
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=0.5588722825050354}
WEIGHT272
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS273
the atoms involved in each of the contacts you wish to calculate
=73,138
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=0.5169427990913391}
WEIGHT273
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS274
the atoms involved in each of the contacts you wish to calculate
=73,140
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=0.5928582549095154}
WEIGHT274
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS275
the atoms involved in each of the contacts you wish to calculate
=73,142
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=0.5453117489814758}
WEIGHT275
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS276
the atoms involved in each of the contacts you wish to calculate
=73,145
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=0.4934612214565277}
WEIGHT276
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS277
the atoms involved in each of the contacts you wish to calculate
=73,2623
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=0.5388705730438232}
WEIGHT277
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS278
the atoms involved in each of the contacts you wish to calculate
=73,2625
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=0.48216524720191956}
WEIGHT278
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS279
the atoms involved in each of the contacts you wish to calculate
=73,2627
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=0.395525187253952}
WEIGHT279
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS280
the atoms involved in each of the contacts you wish to calculate
=73,2636
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=0.5975691080093384}
WEIGHT280
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS281
the atoms involved in each of the contacts you wish to calculate
=73,2672
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=0.5441213250160217}
WEIGHT281
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS282
the atoms involved in each of the contacts you wish to calculate
=73,2675
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=0.5434494614601135}
WEIGHT282
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS283
the atoms involved in each of the contacts you wish to calculate
=73,2757
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=0.5853456854820251}
WEIGHT283
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS284
the atoms involved in each of the contacts you wish to calculate
=75,142
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=0.5923731327056885}
WEIGHT284
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS285
the atoms involved in each of the contacts you wish to calculate
=75,145
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=0.538177490234375}
WEIGHT285
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS286
the atoms involved in each of the contacts you wish to calculate
=75,2621
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=0.5939504504203796}
WEIGHT286
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS287
the atoms involved in each of the contacts you wish to calculate
=75,2623
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=0.49890923500061035}
WEIGHT287
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS288
the atoms involved in each of the contacts you wish to calculate
=75,2625
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=0.4806707203388214}
WEIGHT288
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS289
the atoms involved in each of the contacts you wish to calculate
=75,2627
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=0.4315405786037445}
WEIGHT289
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS290
the atoms involved in each of the contacts you wish to calculate
=75,2635
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=0.5650139451026917}
WEIGHT290
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS291
the atoms involved in each of the contacts you wish to calculate
=75,2636
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=0.5173834562301636}
WEIGHT291
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS292
the atoms involved in each of the contacts you wish to calculate
=75,2670
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=0.5442600250244141}
WEIGHT292
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS293
the atoms involved in each of the contacts you wish to calculate
=75,2672
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=0.3985207974910736}
WEIGHT293
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS294
the atoms involved in each of the contacts you wish to calculate
=75,2675
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=0.41199761629104614}
WEIGHT294
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS295
the atoms involved in each of the contacts you wish to calculate
=75,2678
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=0.5404636859893799}
WEIGHT295
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS296
the atoms involved in each of the contacts you wish to calculate
=75,2680
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=0.5697199702262878}
WEIGHT296
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS297
the atoms involved in each of the contacts you wish to calculate
=75,2683
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=0.5866734385490417}
WEIGHT297
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS298
the atoms involved in each of the contacts you wish to calculate
=75,2685
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=0.5989571213722229}
WEIGHT298
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS299
the atoms involved in each of the contacts you wish to calculate
=75,2754
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=0.5846898555755615}
WEIGHT299
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS300
the atoms involved in each of the contacts you wish to calculate
=75,2757
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=0.4653022587299347}
WEIGHT300
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS301
the atoms involved in each of the contacts you wish to calculate
=75,2760
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=0.5174592137336731}
WEIGHT301
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS302
the atoms involved in each of the contacts you wish to calculate
=78,138
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=0.5944092273712158}
WEIGHT302
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS303
the atoms involved in each of the contacts you wish to calculate
=78,142
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=0.5096914172172546}
WEIGHT303
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS304
the atoms involved in each of the contacts you wish to calculate
=78,145
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=0.44586360454559326}
WEIGHT304
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS305
the atoms involved in each of the contacts you wish to calculate
=78,148
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=0.5882790088653564}
WEIGHT305
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS306
the atoms involved in each of the contacts you wish to calculate
=78,149
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=0.5732671022415161}
WEIGHT306
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS307
the atoms involved in each of the contacts you wish to calculate
=78,2623
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=0.5147303938865662}
WEIGHT307
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS308
the atoms involved in each of the contacts you wish to calculate
=78,2625
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=0.48978909850120544}
WEIGHT308
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS309
the atoms involved in each of the contacts you wish to calculate
=78,2627
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=0.4794395864009857}
WEIGHT309
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS310
the atoms involved in each of the contacts you wish to calculate
=78,2635
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=0.5446043014526367}
WEIGHT310
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS311
the atoms involved in each of the contacts you wish to calculate
=78,2636
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=0.4694686532020569}
WEIGHT311
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS312
the atoms involved in each of the contacts you wish to calculate
=78,2668
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=0.5895166397094727}
WEIGHT312
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS313
the atoms involved in each of the contacts you wish to calculate
=78,2670
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=0.5071703791618347}
WEIGHT313
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS314
the atoms involved in each of the contacts you wish to calculate
=78,2672
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=0.38238435983657837}
WEIGHT314
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS315
the atoms involved in each of the contacts you wish to calculate
=78,2675
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=0.44780001044273376}
WEIGHT315
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS316
the atoms involved in each of the contacts you wish to calculate
=78,2678
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=0.5822161436080933}
WEIGHT316
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS317
the atoms involved in each of the contacts you wish to calculate
=78,2683
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=0.5102418661117554}
WEIGHT317
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS318
the atoms involved in each of the contacts you wish to calculate
=78,2684
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=0.5579791069030762}
WEIGHT318
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS319
the atoms involved in each of the contacts you wish to calculate
=78,2685
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=0.509981095790863}
WEIGHT319
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS320
the atoms involved in each of the contacts you wish to calculate
=78,2687
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=0.5681637525558472}
WEIGHT320
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS321
the atoms involved in each of the contacts you wish to calculate
=78,2751
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=0.5078712701797485}
WEIGHT321
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS322
the atoms involved in each of the contacts you wish to calculate
=78,2754
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=0.49254167079925537}
WEIGHT322
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS323
the atoms involved in each of the contacts you wish to calculate
=78,2757
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=0.40187209844589233}
WEIGHT323
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS324
the atoms involved in each of the contacts you wish to calculate
=78,2760
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=0.49101224541664124}
WEIGHT324
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS325
the atoms involved in each of the contacts you wish to calculate
=79,142
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=0.5647750496864319}
WEIGHT325
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS326
the atoms involved in each of the contacts you wish to calculate
=79,145
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=0.47190043330192566}
WEIGHT326
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS327
the atoms involved in each of the contacts you wish to calculate
=79,148
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=0.5821287631988525}
WEIGHT327
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS328
the atoms involved in each of the contacts you wish to calculate
=79,149
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=0.540130615234375}
WEIGHT328
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS329
the atoms involved in each of the contacts you wish to calculate
=79,656
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=0.5750181674957275}
WEIGHT329
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS330
the atoms involved in each of the contacts you wish to calculate
=79,658
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=0.5793154835700989}
WEIGHT330
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS331
the atoms involved in each of the contacts you wish to calculate
=79,2621
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=0.5699335932731628}
WEIGHT331
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS332
the atoms involved in each of the contacts you wish to calculate
=79,2623
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=0.43549710512161255}
WEIGHT332
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS333
the atoms involved in each of the contacts you wish to calculate
=79,2625
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=0.42063960433006287}
WEIGHT333
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS334
the atoms involved in each of the contacts you wish to calculate
=79,2627
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=0.45383113622665405}
WEIGHT334
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS335
the atoms involved in each of the contacts you wish to calculate
=79,2631
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=0.5564976930618286}
WEIGHT335
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS336
the atoms involved in each of the contacts you wish to calculate
=79,2635
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=0.4346681237220764}
WEIGHT336
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS337
the atoms involved in each of the contacts you wish to calculate
=79,2636
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=0.345342218875885}
WEIGHT337
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS338
the atoms involved in each of the contacts you wish to calculate
=79,2637
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=0.5585058927536011}
WEIGHT338
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS339
the atoms involved in each of the contacts you wish to calculate
=79,2668
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=0.5056917667388916}
WEIGHT339
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS340
the atoms involved in each of the contacts you wish to calculate
=79,2670
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=0.43737632036209106}
WEIGHT340
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS341
the atoms involved in each of the contacts you wish to calculate
=79,2672
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=0.3410423994064331}
WEIGHT341
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS342
the atoms involved in each of the contacts you wish to calculate
=79,2675
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=0.4256419837474823}
WEIGHT342
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS343
the atoms involved in each of the contacts you wish to calculate
=79,2678
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=0.5683361291885376}
WEIGHT343
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS344
the atoms involved in each of the contacts you wish to calculate
=79,2683
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=0.42028674483299255}
WEIGHT344
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS345
the atoms involved in each of the contacts you wish to calculate
=79,2684
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=0.4826538860797882}
WEIGHT345
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS346
the atoms involved in each of the contacts you wish to calculate
=79,2685
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=0.3930025100708008}
WEIGHT346
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS347
the atoms involved in each of the contacts you wish to calculate
=79,2687
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=0.4459441602230072}
WEIGHT347
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS348
the atoms involved in each of the contacts you wish to calculate
=79,2689
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=0.48267608880996704}
WEIGHT348
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS349
the atoms involved in each of the contacts you wish to calculate
=79,2692
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=0.4962373971939087}
WEIGHT349
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS350
the atoms involved in each of the contacts you wish to calculate
=79,2707
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=0.5896116495132446}
WEIGHT350
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS351
the atoms involved in each of the contacts you wish to calculate
=79,2748
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=0.5747185349464417}
WEIGHT351
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS352
the atoms involved in each of the contacts you wish to calculate
=79,2751
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=0.49213916063308716}
WEIGHT352
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS353
the atoms involved in each of the contacts you wish to calculate
=79,2754
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=0.5181862115859985}
WEIGHT353
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS354
the atoms involved in each of the contacts you wish to calculate
=79,2757
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=0.4578000009059906}
WEIGHT354
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS355
the atoms involved in each of the contacts you wish to calculate
=79,2760
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=0.5521382689476013}
WEIGHT355
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS356
the atoms involved in each of the contacts you wish to calculate
=81,142
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=0.5416521430015564}
WEIGHT356
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS357
the atoms involved in each of the contacts you wish to calculate
=81,145
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=0.4500156044960022}
WEIGHT357
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS358
the atoms involved in each of the contacts you wish to calculate
=81,148
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=0.5463861227035522}
WEIGHT358
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS359
the atoms involved in each of the contacts you wish to calculate
=81,149
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=0.5240314602851868}
WEIGHT359
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS360
the atoms involved in each of the contacts you wish to calculate
=81,588
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=0.54373699426651}
WEIGHT360
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS361
the atoms involved in each of the contacts you wish to calculate
=81,655
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=0.5999292135238647}
WEIGHT361
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS362
the atoms involved in each of the contacts you wish to calculate
=81,656
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=0.5315840244293213}
WEIGHT362
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS363
the atoms involved in each of the contacts you wish to calculate
=81,658
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=0.545782208442688}
WEIGHT363
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS364
the atoms involved in each of the contacts you wish to calculate
=81,2623
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=0.5294727683067322}
WEIGHT364
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS365
the atoms involved in each of the contacts you wish to calculate
=81,2625
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=0.512668788433075}
WEIGHT365
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS366
the atoms involved in each of the contacts you wish to calculate
=81,2627
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=0.5677062273025513}
WEIGHT366
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS367
the atoms involved in each of the contacts you wish to calculate
=81,2635
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=0.49387872219085693}
WEIGHT367
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS368
the atoms involved in each of the contacts you wish to calculate
=81,2636
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=0.38456884026527405}
WEIGHT368
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS369
the atoms involved in each of the contacts you wish to calculate
=81,2668
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=0.5414721965789795}
WEIGHT369
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS370
the atoms involved in each of the contacts you wish to calculate
=81,2670
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=0.4613306224346161}
WEIGHT370
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS371
the atoms involved in each of the contacts you wish to calculate
=81,2672
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=0.40188300609588623}
WEIGHT371
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS372
the atoms involved in each of the contacts you wish to calculate
=81,2675
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=0.5175354480743408}
WEIGHT372
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS373
the atoms involved in each of the contacts you wish to calculate
=81,2683
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=0.3963698148727417}
WEIGHT373
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS374
the atoms involved in each of the contacts you wish to calculate
=81,2684
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=0.4353240430355072}
WEIGHT374
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS375
the atoms involved in each of the contacts you wish to calculate
=81,2685
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=0.35531818866729736}
WEIGHT375
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS376
the atoms involved in each of the contacts you wish to calculate
=81,2687
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=0.3645520508289337}
WEIGHT376
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS377
the atoms involved in each of the contacts you wish to calculate
=81,2689
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=0.40052488446235657}
WEIGHT377
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS378
the atoms involved in each of the contacts you wish to calculate
=81,2692
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=0.38619619607925415}
WEIGHT378
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS379
the atoms involved in each of the contacts you wish to calculate
=81,2695
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=0.5229702591896057}
WEIGHT379
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS380
the atoms involved in each of the contacts you wish to calculate
=81,2698
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=0.5706301927566528}
WEIGHT380
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS381
the atoms involved in each of the contacts you wish to calculate
=81,2700
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=0.5851844549179077}
WEIGHT381
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS382
the atoms involved in each of the contacts you wish to calculate
=81,2701
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=0.5488705039024353}
WEIGHT382
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS383
the atoms involved in each of the contacts you wish to calculate
=81,2707
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=0.5017110705375671}
WEIGHT383
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS384
the atoms involved in each of the contacts you wish to calculate
=81,2708
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=0.5307138562202454}
WEIGHT384
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS385
the atoms involved in each of the contacts you wish to calculate
=81,2748
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=0.4757833778858185}
WEIGHT385
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS386
the atoms involved in each of the contacts you wish to calculate
=81,2751
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=0.4239305853843689}
WEIGHT386
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS387
the atoms involved in each of the contacts you wish to calculate
=81,2754
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=0.4678516983985901}
WEIGHT387
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS388
the atoms involved in each of the contacts you wish to calculate
=81,2757
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=0.44923606514930725}
WEIGHT388
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS389
the atoms involved in each of the contacts you wish to calculate
=81,2760
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=0.5654280781745911}
WEIGHT389
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS390
the atoms involved in each of the contacts you wish to calculate
=83,142
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=0.4665299952030182}
WEIGHT390
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS391
the atoms involved in each of the contacts you wish to calculate
=83,145
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=0.40642261505126953}
WEIGHT391
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS392
the atoms involved in each of the contacts you wish to calculate
=83,148
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=0.5204278230667114}
WEIGHT392
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS393
the atoms involved in each of the contacts you wish to calculate
=83,149
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=0.5454781651496887}
WEIGHT393
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS394
the atoms involved in each of the contacts you wish to calculate
=83,588
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=0.452443391084671}
WEIGHT394
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS395
the atoms involved in each of the contacts you wish to calculate
=83,2636
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=0.5242083668708801}
WEIGHT395
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS396
the atoms involved in each of the contacts you wish to calculate
=83,2670
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=0.5467894673347473}
WEIGHT396
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS397
the atoms involved in each of the contacts you wish to calculate
=83,2672
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=0.4871581196784973}
WEIGHT397
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS398
the atoms involved in each of the contacts you wish to calculate
=83,2683
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=0.46871936321258545}
WEIGHT398
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS399
the atoms involved in each of the contacts you wish to calculate
=83,2684
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=0.472755491733551}
WEIGHT399
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS400
the atoms involved in each of the contacts you wish to calculate
=83,2685
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=0.44844380021095276}
WEIGHT400
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS401
the atoms involved in each of the contacts you wish to calculate
=83,2687
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=0.43351006507873535}
WEIGHT401
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS402
the atoms involved in each of the contacts you wish to calculate
=83,2689
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=0.4815652370452881}
WEIGHT402
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS403
the atoms involved in each of the contacts you wish to calculate
=83,2692
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=0.43436673283576965}
WEIGHT403
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS404
the atoms involved in each of the contacts you wish to calculate
=83,2695
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=0.5467674732208252}
WEIGHT404
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS405
the atoms involved in each of the contacts you wish to calculate
=83,2698
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=0.5619409680366516}
WEIGHT405
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS406
the atoms involved in each of the contacts you wish to calculate
=83,2700
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=0.5459465384483337}
WEIGHT406
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS407
the atoms involved in each of the contacts you wish to calculate
=83,2701
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=0.5026307702064514}
WEIGHT407
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS408
the atoms involved in each of the contacts you wish to calculate
=83,2707
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=0.5471769571304321}
WEIGHT408
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS409
the atoms involved in each of the contacts you wish to calculate
=83,2708
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=0.5455179214477539}
WEIGHT409
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS410
the atoms involved in each of the contacts you wish to calculate
=83,2746
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=0.5585586428642273}
WEIGHT410
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS411
the atoms involved in each of the contacts you wish to calculate
=83,2748
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=0.40934649109840393}
WEIGHT411
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS412
the atoms involved in each of the contacts you wish to calculate
=83,2751
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=0.36932888627052307}
WEIGHT412
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS413
the atoms involved in each of the contacts you wish to calculate
=83,2754
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=0.3862769305706024}
WEIGHT413
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS414
the atoms involved in each of the contacts you wish to calculate
=83,2757
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=0.39055579900741577}
WEIGHT414
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS415
the atoms involved in each of the contacts you wish to calculate
=83,2760
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=0.5269608497619629}
WEIGHT415
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS416
the atoms involved in each of the contacts you wish to calculate
=84,142
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=0.5181082487106323}
WEIGHT416
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS417
the atoms involved in each of the contacts you wish to calculate
=84,145
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=0.46642592549324036}
WEIGHT417
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS418
the atoms involved in each of the contacts you wish to calculate
=84,148
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=0.5524062514305115}
WEIGHT418
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS419
the atoms involved in each of the contacts you wish to calculate
=84,149
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=0.5918530821800232}
WEIGHT419
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS420
the atoms involved in each of the contacts you wish to calculate
=84,586
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=0.5245013236999512}
WEIGHT420
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS421
the atoms involved in each of the contacts you wish to calculate
=84,588
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=0.3791157007217407}
WEIGHT421
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS422
the atoms involved in each of the contacts you wish to calculate
=84,592
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=0.5582054853439331}
WEIGHT422
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS423
the atoms involved in each of the contacts you wish to calculate
=84,2636
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=0.5904563665390015}
WEIGHT423
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS424
the atoms involved in each of the contacts you wish to calculate
=84,2672
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=0.5712877511978149}
WEIGHT424
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS425
the atoms involved in each of the contacts you wish to calculate
=84,2683
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=0.4928593337535858}
WEIGHT425
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS426
the atoms involved in each of the contacts you wish to calculate
=84,2684
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=0.47303307056427}
WEIGHT426
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS427
the atoms involved in each of the contacts you wish to calculate
=84,2685
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=0.4656953513622284}
WEIGHT427
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS428
the atoms involved in each of the contacts you wish to calculate
=84,2687
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=0.41042545437812805}
WEIGHT428
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS429
the atoms involved in each of the contacts you wish to calculate
=84,2689
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=0.45511651039123535}
WEIGHT429
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS430
the atoms involved in each of the contacts you wish to calculate
=84,2692
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=0.38046836853027344}
WEIGHT430
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS431
the atoms involved in each of the contacts you wish to calculate
=84,2695
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=0.4625239968299866}
WEIGHT431
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS432
the atoms involved in each of the contacts you wish to calculate
=84,2698
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=0.45681431889533997}
WEIGHT432
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS433
the atoms involved in each of the contacts you wish to calculate
=84,2700
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=0.42154377698898315}
WEIGHT433
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS434
the atoms involved in each of the contacts you wish to calculate
=84,2701
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=0.37417587637901306}
WEIGHT434
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS435
the atoms involved in each of the contacts you wish to calculate
=84,2704
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=0.490617960691452}
WEIGHT435
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS436
the atoms involved in each of the contacts you wish to calculate
=84,2707
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=0.49735379219055176}
WEIGHT436
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS437
the atoms involved in each of the contacts you wish to calculate
=84,2708
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=0.4686724543571472}
WEIGHT437
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS438
the atoms involved in each of the contacts you wish to calculate
=84,2744
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=0.545315682888031}
WEIGHT438
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS439
the atoms involved in each of the contacts you wish to calculate
=84,2746
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=0.486417680978775}
WEIGHT439
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS440
the atoms involved in each of the contacts you wish to calculate
=84,2748
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=0.342935711145401}
WEIGHT440
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS441
the atoms involved in each of the contacts you wish to calculate
=84,2751
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=0.35619962215423584}
WEIGHT441
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS442
the atoms involved in each of the contacts you wish to calculate
=84,2754
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=0.3954367935657501}
WEIGHT442
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS443
the atoms involved in each of the contacts you wish to calculate
=84,2757
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=0.4483729898929596}
WEIGHT443
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS444
the atoms involved in each of the contacts you wish to calculate
=84,2760
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=0.5877571702003479}
WEIGHT444
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS445
the atoms involved in each of the contacts you wish to calculate
=84,2764
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=0.5380826592445374}
WEIGHT445
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS446
the atoms involved in each of the contacts you wish to calculate
=84,2765
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=0.5884220600128174}
WEIGHT446
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS447
the atoms involved in each of the contacts you wish to calculate
=84,2766
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=0.5860067009925842}
WEIGHT447
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS448
the atoms involved in each of the contacts you wish to calculate
=84,2832
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=0.5244048237800598}
WEIGHT448
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS449
the atoms involved in each of the contacts you wish to calculate
=86,138
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=0.5727925896644592}
WEIGHT449
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS450
the atoms involved in each of the contacts you wish to calculate
=86,140
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=0.534735918045044}
WEIGHT450
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS451
the atoms involved in each of the contacts you wish to calculate
=86,142
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=0.39604830741882324}
WEIGHT451
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS452
the atoms involved in each of the contacts you wish to calculate
=86,145
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=0.3724907636642456}
WEIGHT452
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS453
the atoms involved in each of the contacts you wish to calculate
=86,148
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=0.5237529277801514}
WEIGHT453
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS454
the atoms involved in each of the contacts you wish to calculate
=86,149
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=0.5737337470054626}
WEIGHT454
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS455
the atoms involved in each of the contacts you wish to calculate
=86,588
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=0.49542808532714844}
WEIGHT455
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS456
the atoms involved in each of the contacts you wish to calculate
=86,2672
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=0.5181207060813904}
WEIGHT456
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS457
the atoms involved in each of the contacts you wish to calculate
=86,2683
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=0.5538716316223145}
WEIGHT457
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS458
the atoms involved in each of the contacts you wish to calculate
=86,2684
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=0.5540555715560913}
WEIGHT458
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS459
the atoms involved in each of the contacts you wish to calculate
=86,2685
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=0.555828869342804}
WEIGHT459
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS460
the atoms involved in each of the contacts you wish to calculate
=86,2687
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=0.5610818266868591}
WEIGHT460
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS461
the atoms involved in each of the contacts you wish to calculate
=86,2692
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=0.5742668509483337}
WEIGHT461
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS462
the atoms involved in each of the contacts you wish to calculate
=86,2748
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=0.4665903151035309}
WEIGHT462
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS463
the atoms involved in each of the contacts you wish to calculate
=86,2751
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=0.3981982469558716}
WEIGHT463
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS464
the atoms involved in each of the contacts you wish to calculate
=86,2754
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=0.3600442409515381}
WEIGHT464
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS465
the atoms involved in each of the contacts you wish to calculate
=86,2757
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=0.33039960265159607}
WEIGHT465
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS466
the atoms involved in each of the contacts you wish to calculate
=86,2760
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=0.4682369530200958}
WEIGHT466
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS467
the atoms involved in each of the contacts you wish to calculate
=88,138
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=0.5392485857009888}
WEIGHT467
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS468
the atoms involved in each of the contacts you wish to calculate
=88,140
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=0.5357913374900818}
WEIGHT468
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS469
the atoms involved in each of the contacts you wish to calculate
=88,142
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=0.4214003086090088}
WEIGHT469
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS470
the atoms involved in each of the contacts you wish to calculate
=88,145
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=0.39427056908607483}
WEIGHT470
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS471
the atoms involved in each of the contacts you wish to calculate
=88,148
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=0.5583431124687195}
WEIGHT471
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS472
the atoms involved in each of the contacts you wish to calculate
=88,149
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=0.5872716903686523}
WEIGHT472
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS473
the atoms involved in each of the contacts you wish to calculate
=88,2636
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=0.5896012783050537}
WEIGHT473
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS474
the atoms involved in each of the contacts you wish to calculate
=88,2670
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=0.589590311050415}
WEIGHT474
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS475
the atoms involved in each of the contacts you wish to calculate
=88,2672
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=0.47330838441848755}
WEIGHT475
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS476
the atoms involved in each of the contacts you wish to calculate
=88,2675
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=0.5550546646118164}
WEIGHT476
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS477
the atoms involved in each of the contacts you wish to calculate
=88,2683
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=0.5727057456970215}
WEIGHT477
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS478
the atoms involved in each of the contacts you wish to calculate
=88,2684
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=0.5929535031318665}
WEIGHT478
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS479
the atoms involved in each of the contacts you wish to calculate
=88,2685
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=0.5825098752975464}
WEIGHT479
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS480
the atoms involved in each of the contacts you wish to calculate
=88,2748
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=0.5659726858139038}
WEIGHT480
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS481
the atoms involved in each of the contacts you wish to calculate
=88,2751
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=0.46849381923675537}
WEIGHT481
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS482
the atoms involved in each of the contacts you wish to calculate
=88,2754
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=0.4199410080909729}
WEIGHT482
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS483
the atoms involved in each of the contacts you wish to calculate
=88,2757
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=0.33747634291648865}
WEIGHT483
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS484
the atoms involved in each of the contacts you wish to calculate
=88,2760
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=0.44873398542404175}
WEIGHT484
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS485
the atoms involved in each of the contacts you wish to calculate
=90,138
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=0.40416571497917175}
WEIGHT485
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS486
the atoms involved in each of the contacts you wish to calculate
=90,140
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=0.47823941707611084}
WEIGHT486
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS487
the atoms involved in each of the contacts you wish to calculate
=90,142
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=0.44766372442245483}
WEIGHT487
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS488
the atoms involved in each of the contacts you wish to calculate
=90,145
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=0.43440765142440796}
WEIGHT488
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS489
the atoms involved in each of the contacts you wish to calculate
=90,148
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=0.5890856385231018}
WEIGHT489
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS490
the atoms involved in each of the contacts you wish to calculate
=90,153
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=0.5648121237754822}
WEIGHT490
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS491
the atoms involved in each of the contacts you wish to calculate
=90,155
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=0.5646530389785767}
WEIGHT491
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS492
the atoms involved in each of the contacts you wish to calculate
=90,2627
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=0.5270809531211853}
WEIGHT492
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS493
the atoms involved in each of the contacts you wish to calculate
=90,2757
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=0.5822690725326538}
WEIGHT493
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS494
the atoms involved in each of the contacts you wish to calculate
=91,138
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=0.2861013412475586}
WEIGHT494
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS495
the atoms involved in each of the contacts you wish to calculate
=91,140
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=0.36595481634140015}
WEIGHT495
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS496
the atoms involved in each of the contacts you wish to calculate
=91,142
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=0.3498125374317169}
WEIGHT496
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS497
the atoms involved in each of the contacts you wish to calculate
=91,145
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=0.33623504638671875}
WEIGHT497
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS498
the atoms involved in each of the contacts you wish to calculate
=91,148
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=0.4832639992237091}
WEIGHT498
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS499
the atoms involved in each of the contacts you wish to calculate
=91,149
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=0.5099128484725952}
WEIGHT499
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS500
the atoms involved in each of the contacts you wish to calculate
=91,153
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=0.4668669104576111}
WEIGHT500
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS501
the atoms involved in each of the contacts you wish to calculate
=91,154
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=0.5712242126464844}
WEIGHT501
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS502
the atoms involved in each of the contacts you wish to calculate
=91,155
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=0.4810165762901306}
WEIGHT502
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS503
the atoms involved in each of the contacts you wish to calculate
=91,2627
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=0.5493146777153015}
WEIGHT503
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS504
the atoms involved in each of the contacts you wish to calculate
=92,155
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=0.5661045908927917}
WEIGHT504
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS505
the atoms involved in each of the contacts you wish to calculate
=92,174
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=0.5921573638916016}
WEIGHT505
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS506
the atoms involved in each of the contacts you wish to calculate
=92,2757
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=0.5667011141777039}
WEIGHT506
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS507
the atoms involved in each of the contacts you wish to calculate
=94,155
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=0.45887503027915955}
WEIGHT507
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS508
the atoms involved in each of the contacts you wish to calculate
=94,157
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=0.5494769811630249}
WEIGHT508
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS509
the atoms involved in each of the contacts you wish to calculate
=94,159
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=0.5092144012451172}
WEIGHT509
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS510
the atoms involved in each of the contacts you wish to calculate
=94,168
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=0.5679211616516113}
WEIGHT510
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS511
the atoms involved in each of the contacts you wish to calculate
=94,170
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=0.5132041573524475}
WEIGHT511
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS512
the atoms involved in each of the contacts you wish to calculate
=94,171
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=0.5216459631919861}
WEIGHT512
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS513
the atoms involved in each of the contacts you wish to calculate
=94,174
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=0.47216758131980896}
WEIGHT513
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS514
the atoms involved in each of the contacts you wish to calculate
=96,155
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=0.5432514548301697}
WEIGHT514
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS515
the atoms involved in each of the contacts you wish to calculate
=96,159
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=0.5297747254371643}
WEIGHT515
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS516
the atoms involved in each of the contacts you wish to calculate
=96,168
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=0.5091822743415833}
WEIGHT516
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS517
the atoms involved in each of the contacts you wish to calculate
=96,170
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=0.43667906522750854}
WEIGHT517
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS518
the atoms involved in each of the contacts you wish to calculate
=96,171
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=0.4618470370769501}
WEIGHT518
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS519
the atoms involved in each of the contacts you wish to calculate
=96,174
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=0.3635963797569275}
WEIGHT519
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS520
the atoms involved in each of the contacts you wish to calculate
=96,2757
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=0.5959517955780029}
WEIGHT520
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS521
the atoms involved in each of the contacts you wish to calculate
=99,168
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=0.5477171540260315}
WEIGHT521
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS522
the atoms involved in each of the contacts you wish to calculate
=99,170
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=0.4438354969024658}
WEIGHT522
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS523
the atoms involved in each of the contacts you wish to calculate
=99,171
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=0.44028180837631226}
WEIGHT523
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS524
the atoms involved in each of the contacts you wish to calculate
=99,174
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=0.36500120162963867}
WEIGHT524
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS525
the atoms involved in each of the contacts you wish to calculate
=99,2754
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=0.5956257581710815}
WEIGHT525
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS526
the atoms involved in each of the contacts you wish to calculate
=99,2757
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=0.47336891293525696}
WEIGHT526
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS527
the atoms involved in each of the contacts you wish to calculate
=99,2760
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=0.4808410704135895}
WEIGHT527
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS528
the atoms involved in each of the contacts you wish to calculate
=102,159
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=0.5913870930671692}
WEIGHT528
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS529
the atoms involved in each of the contacts you wish to calculate
=102,165
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=0.5699501037597656}
WEIGHT529
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS530
the atoms involved in each of the contacts you wish to calculate
=102,168
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=0.4735928773880005}
WEIGHT530
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS531
the atoms involved in each of the contacts you wish to calculate
=102,170
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=0.3542570471763611}
WEIGHT531
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS532
the atoms involved in each of the contacts you wish to calculate
=102,171
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=0.315775603055954}
WEIGHT532
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS533
the atoms involved in each of the contacts you wish to calculate
=102,174
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=0.30804234743118286}
WEIGHT533
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS534
the atoms involved in each of the contacts you wish to calculate
=102,2754
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=0.5231195092201233}
WEIGHT534
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS535
the atoms involved in each of the contacts you wish to calculate
=102,2757
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=0.4302116334438324}
WEIGHT535
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS536
the atoms involved in each of the contacts you wish to calculate
=102,2760
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=0.4583602845668793}
WEIGHT536
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS537
the atoms involved in each of the contacts you wish to calculate
=103,155
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=0.5466897487640381}
WEIGHT537
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS538
the atoms involved in each of the contacts you wish to calculate
=103,159
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=0.5693301558494568}
WEIGHT538
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS539
the atoms involved in each of the contacts you wish to calculate
=103,165
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=0.5539757013320923}
WEIGHT539
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS540
the atoms involved in each of the contacts you wish to calculate
=103,168
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=0.4865944981575012}
WEIGHT540
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS541
the atoms involved in each of the contacts you wish to calculate
=103,170
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=0.3769615590572357}
WEIGHT541
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS542
the atoms involved in each of the contacts you wish to calculate
=103,171
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=0.3029952049255371}
WEIGHT542
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS543
the atoms involved in each of the contacts you wish to calculate
=103,174
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=0.3736926317214966}
WEIGHT543
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS544
the atoms involved in each of the contacts you wish to calculate
=103,2754
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=0.46452322602272034}
WEIGHT544
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS545
the atoms involved in each of the contacts you wish to calculate
=103,2757
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=0.39308270812034607}
WEIGHT545
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS546
the atoms involved in each of the contacts you wish to calculate
=103,2760
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=0.46013274788856506}
WEIGHT546
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS547
the atoms involved in each of the contacts you wish to calculate
=104,165
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=0.5622785687446594}
WEIGHT547
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS548
the atoms involved in each of the contacts you wish to calculate
=104,168
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=0.45415884256362915}
WEIGHT548
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS549
the atoms involved in each of the contacts you wish to calculate
=104,170
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=0.3222576379776001}
WEIGHT549
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS550
the atoms involved in each of the contacts you wish to calculate
=104,171
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=0.28458070755004883}
WEIGHT550
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS551
the atoms involved in each of the contacts you wish to calculate
=104,174
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=0.2697333097457886}
WEIGHT551
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS552
the atoms involved in each of the contacts you wish to calculate
=104,2754
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=0.5503525137901306}
WEIGHT552
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS553
the atoms involved in each of the contacts you wish to calculate
=104,2757
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=0.4742699861526489}
WEIGHT553
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS554
the atoms involved in each of the contacts you wish to calculate
=104,2760
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=0.48077648878097534}
WEIGHT554
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS555
the atoms involved in each of the contacts you wish to calculate
=105,155
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=0.40816161036491394}
WEIGHT555
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS556
the atoms involved in each of the contacts you wish to calculate
=105,157
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=0.49249812960624695}
WEIGHT556
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS557
the atoms involved in each of the contacts you wish to calculate
=105,159
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=0.4517176151275635}
WEIGHT557
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS558
the atoms involved in each of the contacts you wish to calculate
=105,162
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=0.5848396420478821}
WEIGHT558
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS559
the atoms involved in each of the contacts you wish to calculate
=105,168
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=0.5755900144577026}
WEIGHT559
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS560
the atoms involved in each of the contacts you wish to calculate
=105,170
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=0.5551342964172363}
WEIGHT560
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS561
the atoms involved in each of the contacts you wish to calculate
=105,171
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=0.5881785154342651}
WEIGHT561
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS562
the atoms involved in each of the contacts you wish to calculate
=105,174
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=0.52174311876297}
WEIGHT562
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS563
the atoms involved in each of the contacts you wish to calculate
=105,177
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=0.5969133973121643}
WEIGHT563
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS564
the atoms involved in each of the contacts you wish to calculate
=105,178
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=0.5892688035964966}
WEIGHT564
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS565
the atoms involved in each of the contacts you wish to calculate
=106,155
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=0.3067578375339508}
WEIGHT565
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS566
the atoms involved in each of the contacts you wish to calculate
=106,157
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=0.37785062193870544}
WEIGHT566
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS567
the atoms involved in each of the contacts you wish to calculate
=106,159
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=0.3401607871055603}
WEIGHT567
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS568
the atoms involved in each of the contacts you wish to calculate
=106,162
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=0.48088890314102173}
WEIGHT568
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS569
the atoms involved in each of the contacts you wish to calculate
=106,165
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=0.5432841777801514}
WEIGHT569
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS570
the atoms involved in each of the contacts you wish to calculate
=106,168
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=0.510678231716156}
WEIGHT570
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS571
the atoms involved in each of the contacts you wish to calculate
=106,170
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=0.5157387852668762}
WEIGHT571
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS572
the atoms involved in each of the contacts you wish to calculate
=106,171
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=0.555491030216217}
WEIGHT572
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS573
the atoms involved in each of the contacts you wish to calculate
=106,174
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=0.50669926404953}
WEIGHT573
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS574
the atoms involved in each of the contacts you wish to calculate
=106,177
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=0.4765022099018097}
WEIGHT574
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS575
the atoms involved in each of the contacts you wish to calculate
=106,178
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=0.4677118957042694}
WEIGHT575
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS576
the atoms involved in each of the contacts you wish to calculate
=106,179
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=0.5945799350738525}
WEIGHT576
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS577
the atoms involved in each of the contacts you wish to calculate
=107,2489
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=0.5497939586639404}
WEIGHT577
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS578
the atoms involved in each of the contacts you wish to calculate
=107,2491
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=0.595111072063446}
WEIGHT578
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS579
the atoms involved in each of the contacts you wish to calculate
=109,2468
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=0.5939940214157104}
WEIGHT579
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS580
the atoms involved in each of the contacts you wish to calculate
=109,2472
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=0.46326780319213867}
WEIGHT580
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS581
the atoms involved in each of the contacts you wish to calculate
=109,2487
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=0.5697310566902161}
WEIGHT581
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS582
the atoms involved in each of the contacts you wish to calculate
=109,2489
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=0.4655928611755371}
WEIGHT582
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS583
the atoms involved in each of the contacts you wish to calculate
=109,2491
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=0.5268895626068115}
WEIGHT583
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS584
the atoms involved in each of the contacts you wish to calculate
=111,2468
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=0.5594031810760498}
WEIGHT584
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS585
the atoms involved in each of the contacts you wish to calculate
=111,2472
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=0.4284272789955139}
WEIGHT585
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS586
the atoms involved in each of the contacts you wish to calculate
=111,2487
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=0.5135896801948547}
WEIGHT586
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS587
the atoms involved in each of the contacts you wish to calculate
=111,2489
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=0.3886050283908844}
WEIGHT587
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS588
the atoms involved in each of the contacts you wish to calculate
=111,2491
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=0.4210628569126129}
WEIGHT588
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS589
the atoms involved in each of the contacts you wish to calculate
=111,2493
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=0.5593695044517517}
WEIGHT589
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS590
the atoms involved in each of the contacts you wish to calculate
=114,2466
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=0.5161994099617004}
WEIGHT590
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS591
the atoms involved in each of the contacts you wish to calculate
=114,2468
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=0.46580779552459717}
WEIGHT591
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS592
the atoms involved in each of the contacts you wish to calculate
=114,2469
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=0.5687714219093323}
WEIGHT592
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS593
the atoms involved in each of the contacts you wish to calculate
=114,2472
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=0.33818772435188293}
WEIGHT593
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS594
the atoms involved in each of the contacts you wish to calculate
=114,2487
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=0.5110100507736206}
WEIGHT594
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS595
the atoms involved in each of the contacts you wish to calculate
=114,2489
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=0.39540964365005493}
WEIGHT595
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS596
the atoms involved in each of the contacts you wish to calculate
=114,2491
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=0.4363037049770355}
WEIGHT596
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS597
the atoms involved in each of the contacts you wish to calculate
=114,2493
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=0.5742639303207397}
WEIGHT597
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS598
the atoms involved in each of the contacts you wish to calculate
=115,2457
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=0.5787242650985718}
WEIGHT598
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS599
the atoms involved in each of the contacts you wish to calculate
=115,2460
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=0.5918317437171936}
WEIGHT599
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS600
the atoms involved in each of the contacts you wish to calculate
=115,2463
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=0.5619649887084961}
WEIGHT600
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS601
the atoms involved in each of the contacts you wish to calculate
=115,2466
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=0.42379793524742126}
WEIGHT601
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS602
the atoms involved in each of the contacts you wish to calculate
=115,2468
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=0.39985743165016174}
WEIGHT602
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS603
the atoms involved in each of the contacts you wish to calculate
=115,2469
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=0.5197632908821106}
WEIGHT603
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS604
the atoms involved in each of the contacts you wish to calculate
=115,2472
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=0.288034588098526}
WEIGHT604
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS605
the atoms involved in each of the contacts you wish to calculate
=115,2476
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=0.5981521606445312}
WEIGHT605
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS606
the atoms involved in each of the contacts you wish to calculate
=115,2484
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=0.5783767104148865}
WEIGHT606
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS607
the atoms involved in each of the contacts you wish to calculate
=115,2485
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=0.5556961297988892}
WEIGHT607
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS608
the atoms involved in each of the contacts you wish to calculate
=115,2487
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=0.4485577642917633}
WEIGHT608
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS609
the atoms involved in each of the contacts you wish to calculate
=115,2489
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=0.3388477861881256}
WEIGHT609
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS610
the atoms involved in each of the contacts you wish to calculate
=115,2491
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=0.3703051507472992}
WEIGHT610
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS611
the atoms involved in each of the contacts you wish to calculate
=115,2493
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=0.4994155466556549}
WEIGHT611
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS612
the atoms involved in each of the contacts you wish to calculate
=116,2466
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=0.5568642020225525}
WEIGHT612
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS613
the atoms involved in each of the contacts you wish to calculate
=116,2468
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=0.501131534576416}
WEIGHT613
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS614
the atoms involved in each of the contacts you wish to calculate
=116,2469
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=0.5935696959495544}
WEIGHT614
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS615
the atoms involved in each of the contacts you wish to calculate
=116,2472
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=0.3788784146308899}
WEIGHT615
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS616
the atoms involved in each of the contacts you wish to calculate
=116,2489
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=0.5107741951942444}
WEIGHT616
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS617
the atoms involved in each of the contacts you wish to calculate
=116,2491
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=0.5592229962348938}
WEIGHT617
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS618
the atoms involved in each of the contacts you wish to calculate
=117,2468
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=0.5057409405708313}
WEIGHT618
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS619
the atoms involved in each of the contacts you wish to calculate
=117,2469
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=0.5475164651870728}
WEIGHT619
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS620
the atoms involved in each of the contacts you wish to calculate
=117,2472
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=0.3864324688911438}
WEIGHT620
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS621
the atoms involved in each of the contacts you wish to calculate
=117,2487
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=0.4913192689418793}
WEIGHT621
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS622
the atoms involved in each of the contacts you wish to calculate
=117,2489
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=0.4177892804145813}
WEIGHT622
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS623
the atoms involved in each of the contacts you wish to calculate
=117,2491
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=0.5136339664459229}
WEIGHT623
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS624
the atoms involved in each of the contacts you wish to calculate
=118,2466
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=0.5529361963272095}
WEIGHT624
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS625
the atoms involved in each of the contacts you wish to calculate
=118,2468
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=0.4345676004886627}
WEIGHT625
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS626
the atoms involved in each of the contacts you wish to calculate
=118,2469
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=0.4587344825267792}
WEIGHT626
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS627
the atoms involved in each of the contacts you wish to calculate
=118,2472
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=0.3258269727230072}
WEIGHT627
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS628
the atoms involved in each of the contacts you wish to calculate
=118,2487
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=0.5057229399681091}
WEIGHT628
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS629
the atoms involved in each of the contacts you wish to calculate
=118,2489
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=0.45390406250953674}
WEIGHT629
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS630
the atoms involved in each of the contacts you wish to calculate
=118,2491
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=0.5665836930274963}
WEIGHT630
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS631
the atoms involved in each of the contacts you wish to calculate
=119,2468
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=0.5575348734855652}
WEIGHT631
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS632
the atoms involved in each of the contacts you wish to calculate
=119,2469
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=0.5859995484352112}
WEIGHT632
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS633
the atoms involved in each of the contacts you wish to calculate
=119,2472
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=0.45294293761253357}
WEIGHT633
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS634
the atoms involved in each of the contacts you wish to calculate
=119,2485
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=0.5917377471923828}
WEIGHT634
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS635
the atoms involved in each of the contacts you wish to calculate
=119,2487
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=0.46437665820121765}
WEIGHT635
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS636
the atoms involved in each of the contacts you wish to calculate
=119,2489
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=0.4096108376979828}
WEIGHT636
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS637
the atoms involved in each of the contacts you wish to calculate
=119,2491
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=0.5075125694274902}
WEIGHT637
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS638
the atoms involved in each of the contacts you wish to calculate
=121,2468
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=0.5554844737052917}
WEIGHT638
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS639
the atoms involved in each of the contacts you wish to calculate
=121,2469
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=0.5543693900108337}
WEIGHT639
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS640
the atoms involved in each of the contacts you wish to calculate
=121,2472
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=0.4779050052165985}
WEIGHT640
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS641
the atoms involved in each of the contacts you wish to calculate
=121,2485
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=0.5731696486473083}
WEIGHT641
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS642
the atoms involved in each of the contacts you wish to calculate
=121,2487
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=0.4545432925224304}
WEIGHT642
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS643
the atoms involved in each of the contacts you wish to calculate
=121,2489
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=0.4435187876224518}
WEIGHT643
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS644
the atoms involved in each of the contacts you wish to calculate
=121,2491
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=0.5580437183380127}
WEIGHT644
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS645
the atoms involved in each of the contacts you wish to calculate
=123,2472
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=0.548585832118988}
WEIGHT645
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS646
the atoms involved in each of the contacts you wish to calculate
=123,2484
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=0.5859228372573853}
WEIGHT646
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS647
the atoms involved in each of the contacts you wish to calculate
=123,2485
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=0.5053396224975586}
WEIGHT647
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS648
the atoms involved in each of the contacts you wish to calculate
=123,2487
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=0.412972629070282}
WEIGHT648
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS649
the atoms involved in each of the contacts you wish to calculate
=123,2489
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=0.42444077134132385}
WEIGHT649
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS650
the atoms involved in each of the contacts you wish to calculate
=123,2491
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=0.5252939462661743}
WEIGHT650
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS651
the atoms involved in each of the contacts you wish to calculate
=123,2493
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=0.5974696278572083}
WEIGHT651
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS652
the atoms involved in each of the contacts you wish to calculate
=123,2627
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=0.5731010437011719}
WEIGHT652
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS653
the atoms involved in each of the contacts you wish to calculate
=126,630
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=0.5353927612304688}
WEIGHT653
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS654
the atoms involved in each of the contacts you wish to calculate
=126,633
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=0.5973686575889587}
WEIGHT654
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS655
the atoms involved in each of the contacts you wish to calculate
=126,639
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=0.517166256904602}
WEIGHT655
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS656
the atoms involved in each of the contacts you wish to calculate
=126,646
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=0.5945161581039429}
WEIGHT656
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS657
the atoms involved in each of the contacts you wish to calculate
=126,647
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=0.5499789118766785}
WEIGHT657
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS658
the atoms involved in each of the contacts you wish to calculate
=126,705
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=0.4765685796737671}
WEIGHT658
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS659
the atoms involved in each of the contacts you wish to calculate
=126,2485
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=0.5263640284538269}
WEIGHT659
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS660
the atoms involved in each of the contacts you wish to calculate
=126,2487
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=0.4592922031879425}
WEIGHT660
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS661
the atoms involved in each of the contacts you wish to calculate
=126,2489
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=0.5120242238044739}
WEIGHT661
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS662
the atoms involved in each of the contacts you wish to calculate
=128,630
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=0.5649122595787048}
WEIGHT662
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS663
the atoms involved in each of the contacts you wish to calculate
=128,636
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=0.5940715670585632}
WEIGHT663
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS664
the atoms involved in each of the contacts you wish to calculate
=128,639
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=0.4613213837146759}
WEIGHT664
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS665
the atoms involved in each of the contacts you wish to calculate
=128,642
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=0.5137355327606201}
WEIGHT665
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS666
the atoms involved in each of the contacts you wish to calculate
=128,647
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=0.5830925703048706}
WEIGHT666
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS667
the atoms involved in each of the contacts you wish to calculate
=128,705
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=0.5121579766273499}
WEIGHT667
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS668
the atoms involved in each of the contacts you wish to calculate
=128,2468
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=0.5553255081176758}
WEIGHT668
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS669
the atoms involved in each of the contacts you wish to calculate
=128,2469
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=0.5142049193382263}
WEIGHT669
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS670
the atoms involved in each of the contacts you wish to calculate
=128,2472
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=0.5488356947898865}
WEIGHT670
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS671
the atoms involved in each of the contacts you wish to calculate
=128,2484
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=0.5893114805221558}
WEIGHT671
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS672
the atoms involved in each of the contacts you wish to calculate
=128,2485
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=0.47012579441070557}
WEIGHT672
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS673
the atoms involved in each of the contacts you wish to calculate
=128,2487
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=0.40698471665382385}
WEIGHT673
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS674
the atoms involved in each of the contacts you wish to calculate
=128,2489
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=0.49016961455345154}
WEIGHT674
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS675
the atoms involved in each of the contacts you wish to calculate
=132,630
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=0.5928357243537903}
WEIGHT675
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS676
the atoms involved in each of the contacts you wish to calculate
=132,639
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=0.5942855477333069}
WEIGHT676
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS677
the atoms involved in each of the contacts you wish to calculate
=132,646
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=0.5856091380119324}
WEIGHT677
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS678
the atoms involved in each of the contacts you wish to calculate
=132,647
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=0.5205259919166565}
WEIGHT678
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS679
the atoms involved in each of the contacts you wish to calculate
=132,697
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=0.5988277792930603}
WEIGHT679
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS680
the atoms involved in each of the contacts you wish to calculate
=132,699
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=0.48210594058036804}
WEIGHT680
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS681
the atoms involved in each of the contacts you wish to calculate
=132,701
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=0.47332215309143066}
WEIGHT681
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS682
the atoms involved in each of the contacts you wish to calculate
=132,705
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=0.3725535571575165}
WEIGHT682
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS683
the atoms involved in each of the contacts you wish to calculate
=132,2484
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=0.5732763409614563}
WEIGHT683
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS684
the atoms involved in each of the contacts you wish to calculate
=132,2485
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=0.4970130920410156}
WEIGHT684
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS685
the atoms involved in each of the contacts you wish to calculate
=132,2487
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=0.4672197699546814}
WEIGHT685
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS686
the atoms involved in each of the contacts you wish to calculate
=132,2489
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=0.5294206142425537}
WEIGHT686
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS687
the atoms involved in each of the contacts you wish to calculate
=132,2579
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=0.510424017906189}
WEIGHT687
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS688
the atoms involved in each of the contacts you wish to calculate
=132,2625
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=0.5722167491912842}
WEIGHT688
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS689
the atoms involved in each of the contacts you wish to calculate
=132,2627
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=0.5123468041419983}
WEIGHT689
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS690
the atoms involved in each of the contacts you wish to calculate
=132,2631
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=0.5535756945610046}
WEIGHT690
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS691
the atoms involved in each of the contacts you wish to calculate
=136,630
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=0.5946613550186157}
WEIGHT691
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS692
the atoms involved in each of the contacts you wish to calculate
=136,2472
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=0.581919252872467}
WEIGHT692
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS693
the atoms involved in each of the contacts you wish to calculate
=136,2487
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=0.5984298586845398}
WEIGHT693
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS694
the atoms involved in each of the contacts you wish to calculate
=136,2489
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=0.5946473479270935}
WEIGHT694
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS695
the atoms involved in each of the contacts you wish to calculate
=137,630
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=0.529457151889801}
WEIGHT695
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS696
the atoms involved in each of the contacts you wish to calculate
=137,633
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=0.5152269005775452}
WEIGHT696
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS697
the atoms involved in each of the contacts you wish to calculate
=137,636
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=0.5650524497032166}
WEIGHT697
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS698
the atoms involved in each of the contacts you wish to calculate
=137,639
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=0.5070311427116394}
WEIGHT698
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS699
the atoms involved in each of the contacts you wish to calculate
=140,584
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=0.595639169216156}
WEIGHT699
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS700
the atoms involved in each of the contacts you wish to calculate
=140,588
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=0.5598883032798767}
WEIGHT700
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS701
the atoms involved in each of the contacts you wish to calculate
=140,592
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=0.5710936188697815}
WEIGHT701
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS702
the atoms involved in each of the contacts you wish to calculate
=140,630
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=0.5750530958175659}
WEIGHT702
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS703
the atoms involved in each of the contacts you wish to calculate
=140,633
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=0.5933157801628113}
WEIGHT703
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS704
the atoms involved in each of the contacts you wish to calculate
=142,584
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=0.5324715971946716}
WEIGHT704
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS705
the atoms involved in each of the contacts you wish to calculate
=142,586
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=0.5091816782951355}
WEIGHT705
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS706
the atoms involved in each of the contacts you wish to calculate
=142,588
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=0.4397691488265991}
WEIGHT706
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS707
the atoms involved in each of the contacts you wish to calculate
=142,592
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=0.48562726378440857}
WEIGHT707
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS708
the atoms involved in each of the contacts you wish to calculate
=142,595
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=0.5766509175300598}
WEIGHT708
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS709
the atoms involved in each of the contacts you wish to calculate
=145,584
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=0.5272219777107239}
WEIGHT709
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS710
the atoms involved in each of the contacts you wish to calculate
=145,586
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=0.5133622288703918}
WEIGHT710
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS711
the atoms involved in each of the contacts you wish to calculate
=145,588
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=0.41722142696380615}
WEIGHT711
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS712
the atoms involved in each of the contacts you wish to calculate
=145,592
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=0.5308302640914917}
WEIGHT712
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS713
the atoms involved in each of the contacts you wish to calculate
=145,594
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=0.5641929507255554}
WEIGHT713
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS714
the atoms involved in each of the contacts you wish to calculate
=145,595
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=0.5086303949356079}
WEIGHT714
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS715
the atoms involved in each of the contacts you wish to calculate
=145,630
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=0.548515260219574}
WEIGHT715
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS716
the atoms involved in each of the contacts you wish to calculate
=145,652
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=0.5973715782165527}
WEIGHT716
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS717
the atoms involved in each of the contacts you wish to calculate
=148,580
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=0.5916053652763367}
WEIGHT717
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS718
the atoms involved in each of the contacts you wish to calculate
=148,581
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=0.5268579721450806}
WEIGHT718
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS719
the atoms involved in each of the contacts you wish to calculate
=148,582
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=0.5635003447532654}
WEIGHT719
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS720
the atoms involved in each of the contacts you wish to calculate
=148,584
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=0.4417250156402588}
WEIGHT720
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS721
the atoms involved in each of the contacts you wish to calculate
=148,586
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=0.47522252798080444}
WEIGHT721
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS722
the atoms involved in each of the contacts you wish to calculate
=148,588
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=0.40428638458251953}
WEIGHT722
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS723
the atoms involved in each of the contacts you wish to calculate
=148,592
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=0.5273732542991638}
WEIGHT723
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS724
the atoms involved in each of the contacts you wish to calculate
=148,594
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=0.44839680194854736}
WEIGHT724
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS725
the atoms involved in each of the contacts you wish to calculate
=148,595
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=0.369035005569458}
WEIGHT725
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS726
the atoms involved in each of the contacts you wish to calculate
=148,596
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=0.574969470500946}
WEIGHT726
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS727
the atoms involved in each of the contacts you wish to calculate
=148,626
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=0.5440005660057068}
WEIGHT727
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS728
the atoms involved in each of the contacts you wish to calculate
=148,628
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=0.46783921122550964}
WEIGHT728
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS729
the atoms involved in each of the contacts you wish to calculate
=148,630
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=0.37914806604385376}
WEIGHT729
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS730
the atoms involved in each of the contacts you wish to calculate
=148,633
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=0.4787598252296448}
WEIGHT730
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS731
the atoms involved in each of the contacts you wish to calculate
=148,639
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=0.5918183922767639}
WEIGHT731
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS732
the atoms involved in each of the contacts you wish to calculate
=148,646
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=0.4437062442302704}
WEIGHT732
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS733
the atoms involved in each of the contacts you wish to calculate
=148,647
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=0.49258583784103394}
WEIGHT733
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS734
the atoms involved in each of the contacts you wish to calculate
=148,648
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=0.43210315704345703}
WEIGHT734
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS735
the atoms involved in each of the contacts you wish to calculate
=148,650
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=0.4671936631202698}
WEIGHT735
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS736
the atoms involved in each of the contacts you wish to calculate
=148,652
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=0.4752376675605774}
WEIGHT736
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS737
the atoms involved in each of the contacts you wish to calculate
=148,655
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=0.5735578536987305}
WEIGHT737
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS738
the atoms involved in each of the contacts you wish to calculate
=148,656
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=0.5656972527503967}
WEIGHT738
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS739
the atoms involved in each of the contacts you wish to calculate
=148,705
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=0.5874531269073486}
WEIGHT739
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS740
the atoms involved in each of the contacts you wish to calculate
=149,584
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=0.573193371295929}
WEIGHT740
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS741
the atoms involved in each of the contacts you wish to calculate
=149,588
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=0.5182458758354187}
WEIGHT741
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS742
the atoms involved in each of the contacts you wish to calculate
=149,594
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=0.5363684296607971}
WEIGHT742
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS743
the atoms involved in each of the contacts you wish to calculate
=149,595
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=0.43141162395477295}
WEIGHT743
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS744
the atoms involved in each of the contacts you wish to calculate
=149,626
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=0.5707555413246155}
WEIGHT744
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS745
the atoms involved in each of the contacts you wish to calculate
=149,628
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=0.47160837054252625}
WEIGHT745
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS746
the atoms involved in each of the contacts you wish to calculate
=149,630
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=0.4259277284145355}
WEIGHT746
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS747
the atoms involved in each of the contacts you wish to calculate
=149,633
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=0.554869532585144}
WEIGHT747
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS748
the atoms involved in each of the contacts you wish to calculate
=149,646
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=0.3942033648490906}
WEIGHT748
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS749
the atoms involved in each of the contacts you wish to calculate
=149,647
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=0.40702053904533386}
WEIGHT749
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS750
the atoms involved in each of the contacts you wish to calculate
=149,648
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=0.37880098819732666}
WEIGHT750
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS751
the atoms involved in each of the contacts you wish to calculate
=149,650
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=0.3668091595172882}
WEIGHT751
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS752
the atoms involved in each of the contacts you wish to calculate
=149,652
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=0.39344629645347595}
WEIGHT752
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS753
the atoms involved in each of the contacts you wish to calculate
=149,655
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=0.4652674198150635}
WEIGHT753
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS754
the atoms involved in each of the contacts you wish to calculate
=149,656
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=0.43051859736442566}
WEIGHT754
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS755
the atoms involved in each of the contacts you wish to calculate
=149,658
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=0.5480756759643555}
WEIGHT755
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS756
the atoms involved in each of the contacts you wish to calculate
=149,667
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=0.5046996474266052}
WEIGHT756
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS757
the atoms involved in each of the contacts you wish to calculate
=149,668
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=0.5402522683143616}
WEIGHT757
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS758
the atoms involved in each of the contacts you wish to calculate
=149,699
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=0.5241203308105469}
WEIGHT758
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS759
the atoms involved in each of the contacts you wish to calculate
=149,701
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=0.5877852439880371}
WEIGHT759
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS760
the atoms involved in each of the contacts you wish to calculate
=149,705
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=0.433716356754303}
WEIGHT760
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS761
the atoms involved in each of the contacts you wish to calculate
=149,2625
SWITCH761
The 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}
WEIGHT761
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS762
the atoms involved in each of the contacts you wish to calculate
=149,2627
SWITCH762
The 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}
WEIGHT762
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS763
the atoms involved in each of the contacts you wish to calculate
=149,2631
SWITCH763
The 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}
WEIGHT763
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS764
the atoms involved in each of the contacts you wish to calculate
=153,526
SWITCH764
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5867559909820557}
WEIGHT764
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS765
the atoms involved in each of the contacts you wish to calculate
=153,592
SWITCH765
The 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}
WEIGHT765
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS766
the atoms involved in each of the contacts you wish to calculate
=154,524
SWITCH766
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.577567994594574}
WEIGHT766
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS767
the atoms involved in each of the contacts you wish to calculate
=154,525
SWITCH767
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5767742991447449}
WEIGHT767
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS768
the atoms involved in each of the contacts you wish to calculate
=154,526
SWITCH768
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49007007479667664}
WEIGHT768
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS769
the atoms involved in each of the contacts you wish to calculate
=154,572
SWITCH769
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5978250503540039}
WEIGHT769
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS770
the atoms involved in each of the contacts you wish to calculate
=154,577
SWITCH770
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5662272572517395}
WEIGHT770
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS771
the atoms involved in each of the contacts you wish to calculate
=154,581
SWITCH771
The 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}
WEIGHT771
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS772
the atoms involved in each of the contacts you wish to calculate
=154,584
SWITCH772
The 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}
WEIGHT772
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS773
the atoms involved in each of the contacts you wish to calculate
=154,586
SWITCH773
The 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}
WEIGHT773
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS774
the atoms involved in each of the contacts you wish to calculate
=154,588
SWITCH774
The 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}
WEIGHT774
A weight value for a given contact, by default is 1
=0.0012903225806451613
ATOMS775
the atoms involved in each of the contacts you wish to calculate
=154,592
SWITCH775
The 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}
WEIGHT775
A weight value for a given contact, by default is 1
=0.0012903225806451613
LABEL
a label for the action so that its output can be referenced in the input to other actions
=q
SUM
calculate the sum of all the contacts in the input
NOPBC
ignore the periodic boundary conditions when calculating distances
... CONTACTMAP
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
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=q,ab,qtyr
FILE
the name of the file on which to output these quantities
=CV_shootings