Project ID: plumID:21.017
Source: plumed/md/nmr_disp.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/nmr_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
=1-3410
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
=1,2655
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=0.5062361359596252}
WEIGHT1
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS2
the atoms involved in each of the contacts you wish to calculate
=1,2658
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=0.47566166520118713}
WEIGHT2
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS3
the atoms involved in each of the contacts you wish to calculate
=1,2659
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=0.4620974659919739}
WEIGHT3
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS4
the atoms involved in each of the contacts you wish to calculate
=1,2660
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=0.517569363117218}
WEIGHT4
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS5
the atoms involved in each of the contacts you wish to calculate
=5,2655
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=0.5799629092216492}
WEIGHT5
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS6
the atoms involved in each of the contacts you wish to calculate
=5,2658
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=0.5540722012519836}
WEIGHT6
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS7
the atoms involved in each of the contacts you wish to calculate
=5,2659
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=0.5640904307365417}
WEIGHT7
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS8
the atoms involved in each of the contacts you wish to calculate
=5,2660
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=0.5676760077476501}
WEIGHT8
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS9
the atoms involved in each of the contacts you wish to calculate
=16,52
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=0.49136337637901306}
WEIGHT9
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS10
the atoms involved in each of the contacts you wish to calculate
=16,54
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=0.5910549759864807}
WEIGHT10
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS11
the atoms involved in each of the contacts you wish to calculate
=16,56
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=0.56410813331604}
WEIGHT11
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS12
the atoms involved in each of the contacts you wish to calculate
=16,62
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=0.47472304105758667}
WEIGHT12
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS13
the atoms involved in each of the contacts you wish to calculate
=16,65
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=0.5234940052032471}
WEIGHT13
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS14
the atoms involved in each of the contacts you wish to calculate
=16,2655
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=0.5159001350402832}
WEIGHT14
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS15
the atoms involved in each of the contacts you wish to calculate
=16,2658
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=0.5091837048530579}
WEIGHT15
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS16
the atoms involved in each of the contacts you wish to calculate
=16,2659
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=0.5523567795753479}
WEIGHT16
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS17
the atoms involved in each of the contacts you wish to calculate
=16,2660
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=0.5052128434181213}
WEIGHT17
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS18
the atoms involved in each of the contacts you wish to calculate
=17,52
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=0.3881970942020416}
WEIGHT18
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS19
the atoms involved in each of the contacts you wish to calculate
=17,54
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=0.49285799264907837}
WEIGHT19
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS20
the atoms involved in each of the contacts you wish to calculate
=17,56
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=0.4862705171108246}
WEIGHT20
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS21
the atoms involved in each of the contacts you wish to calculate
=17,62
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=0.39949092268943787}
WEIGHT21
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS22
the atoms involved in each of the contacts you wish to calculate
=17,65
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=0.47690775990486145}
WEIGHT22
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS23
the atoms involved in each of the contacts you wish to calculate
=17,2655
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=0.596199631690979}
WEIGHT23
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS24
the atoms involved in each of the contacts you wish to calculate
=17,2660
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=0.5953394174575806}
WEIGHT24
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS25
the atoms involved in each of the contacts you wish to calculate
=18,2652
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=0.4996258616447449}
WEIGHT25
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS26
the atoms involved in each of the contacts you wish to calculate
=18,2655
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=0.4003623127937317}
WEIGHT26
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS27
the atoms involved in each of the contacts you wish to calculate
=18,2658
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=0.3868371844291687}
WEIGHT27
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS28
the atoms involved in each of the contacts you wish to calculate
=18,2659
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=0.4444153308868408}
WEIGHT28
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS29
the atoms involved in each of the contacts you wish to calculate
=18,2660
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=0.37471455335617065}
WEIGHT29
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS30
the atoms involved in each of the contacts you wish to calculate
=20,71
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=0.582779586315155}
WEIGHT30
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS31
the atoms involved in each of the contacts you wish to calculate
=20,2599
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=0.5918015241622925}
WEIGHT31
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS32
the atoms involved in each of the contacts you wish to calculate
=20,2600
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=0.5393978357315063}
WEIGHT32
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS33
the atoms involved in each of the contacts you wish to calculate
=20,2601
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=0.592608630657196}
WEIGHT33
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS34
the atoms involved in each of the contacts you wish to calculate
=20,2603
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=0.5306655764579773}
WEIGHT34
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS35
the atoms involved in each of the contacts you wish to calculate
=20,2615
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=0.5829184651374817}
WEIGHT35
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS36
the atoms involved in each of the contacts you wish to calculate
=20,2616
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=0.5276447534561157}
WEIGHT36
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS37
the atoms involved in each of the contacts you wish to calculate
=20,2648
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=0.5869088172912598}
WEIGHT37
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS38
the atoms involved in each of the contacts you wish to calculate
=20,2650
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=0.5724342465400696}
WEIGHT38
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS39
the atoms involved in each of the contacts you wish to calculate
=20,2652
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=0.44032374024391174}
WEIGHT39
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS40
the atoms involved in each of the contacts you wish to calculate
=20,2655
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=0.3831670582294464}
WEIGHT40
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS41
the atoms involved in each of the contacts you wish to calculate
=20,2658
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=0.395224004983902}
WEIGHT41
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS42
the atoms involved in each of the contacts you wish to calculate
=20,2659
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=0.4856809675693512}
WEIGHT42
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS43
the atoms involved in each of the contacts you wish to calculate
=20,2660
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=0.3588007688522339}
WEIGHT43
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS44
the atoms involved in each of the contacts you wish to calculate
=23,71
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=0.4711315929889679}
WEIGHT44
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS45
the atoms involved in each of the contacts you wish to calculate
=23,73
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=0.5875456929206848}
WEIGHT45
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS46
the atoms involved in each of the contacts you wish to calculate
=23,75
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=0.5759522318840027}
WEIGHT46
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS47
the atoms involved in each of the contacts you wish to calculate
=23,78
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=0.58194500207901}
WEIGHT47
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS48
the atoms involved in each of the contacts you wish to calculate
=23,88
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=0.5418717265129089}
WEIGHT48
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS49
the atoms involved in each of the contacts you wish to calculate
=23,2603
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=0.5772113800048828}
WEIGHT49
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS50
the atoms involved in each of the contacts you wish to calculate
=23,2607
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=0.5870833992958069}
WEIGHT50
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS51
the atoms involved in each of the contacts you wish to calculate
=23,2616
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=0.5591064095497131}
WEIGHT51
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS52
the atoms involved in each of the contacts you wish to calculate
=23,2650
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=0.5908621549606323}
WEIGHT52
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS53
the atoms involved in each of the contacts you wish to calculate
=23,2652
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=0.4422149062156677}
WEIGHT53
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS54
the atoms involved in each of the contacts you wish to calculate
=23,2655
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=0.4025965929031372}
WEIGHT54
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS55
the atoms involved in each of the contacts you wish to calculate
=23,2658
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=0.4659882187843323}
WEIGHT55
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS56
the atoms involved in each of the contacts you wish to calculate
=23,2659
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=0.5609714388847351}
WEIGHT56
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS57
the atoms involved in each of the contacts you wish to calculate
=23,2660
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=0.4569956362247467}
WEIGHT57
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS58
the atoms involved in each of the contacts you wish to calculate
=24,71
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=0.35121220350265503}
WEIGHT58
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS59
the atoms involved in each of the contacts you wish to calculate
=24,73
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=0.4714498519897461}
WEIGHT59
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS60
the atoms involved in each of the contacts you wish to calculate
=24,75
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=0.47410544753074646}
WEIGHT60
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS61
the atoms involved in each of the contacts you wish to calculate
=24,78
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=0.48543691635131836}
WEIGHT61
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS62
the atoms involved in each of the contacts you wish to calculate
=24,79
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=0.5698289275169373}
WEIGHT62
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS63
the atoms involved in each of the contacts you wish to calculate
=24,86
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=0.5378698706626892}
WEIGHT63
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS64
the atoms involved in each of the contacts you wish to calculate
=24,88
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=0.46801918745040894}
WEIGHT64
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS65
the atoms involved in each of the contacts you wish to calculate
=24,90
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=0.5739772915840149}
WEIGHT65
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS66
the atoms involved in each of the contacts you wish to calculate
=24,92
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=0.5533579587936401}
WEIGHT66
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS67
the atoms involved in each of the contacts you wish to calculate
=24,2603
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=0.5438951849937439}
WEIGHT67
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS68
the atoms involved in each of the contacts you wish to calculate
=24,2605
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=0.5625699758529663}
WEIGHT68
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS69
the atoms involved in each of the contacts you wish to calculate
=24,2607
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=0.5122362971305847}
WEIGHT69
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS70
the atoms involved in each of the contacts you wish to calculate
=24,2611
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=0.5487740635871887}
WEIGHT70
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS71
the atoms involved in each of the contacts you wish to calculate
=24,2616
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=0.5546503663063049}
WEIGHT71
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS72
the atoms involved in each of the contacts you wish to calculate
=24,2652
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=0.4974685609340668}
WEIGHT72
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS73
the atoms involved in each of the contacts you wish to calculate
=24,2655
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=0.49047020077705383}
WEIGHT73
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS74
the atoms involved in each of the contacts you wish to calculate
=24,2658
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=0.5619804859161377}
WEIGHT74
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS75
the atoms involved in each of the contacts you wish to calculate
=24,2660
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=0.53935706615448}
WEIGHT75
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS76
the atoms involved in each of the contacts you wish to calculate
=25,2650
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=0.5907706618309021}
WEIGHT76
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS77
the atoms involved in each of the contacts you wish to calculate
=25,2652
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=0.4394928812980652}
WEIGHT77
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS78
the atoms involved in each of the contacts you wish to calculate
=25,2655
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=0.37627914547920227}
WEIGHT78
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS79
the atoms involved in each of the contacts you wish to calculate
=25,2658
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=0.4615766704082489}
WEIGHT79
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS80
the atoms involved in each of the contacts you wish to calculate
=25,2659
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=0.5402601361274719}
WEIGHT80
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS81
the atoms involved in each of the contacts you wish to calculate
=25,2660
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=0.4895886182785034}
WEIGHT81
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS82
the atoms involved in each of the contacts you wish to calculate
=27,92
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=0.5802853107452393}
WEIGHT82
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS83
the atoms involved in each of the contacts you wish to calculate
=27,99
SWITCH83
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5483183860778809}
WEIGHT83
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS84
the atoms involved in each of the contacts you wish to calculate
=27,104
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=0.567409873008728}
WEIGHT84
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS85
the atoms involved in each of the contacts you wish to calculate
=27,2652
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=0.5050831437110901}
WEIGHT85
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS86
the atoms involved in each of the contacts you wish to calculate
=27,2655
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=0.4623299837112427}
WEIGHT86
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS87
the atoms involved in each of the contacts you wish to calculate
=27,2658
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=0.5732050538063049}
WEIGHT87
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS88
the atoms involved in each of the contacts you wish to calculate
=27,2734
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=0.5859965682029724}
WEIGHT88
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS89
the atoms involved in each of the contacts you wish to calculate
=29,99
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=0.5778563618659973}
WEIGHT89
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS90
the atoms involved in each of the contacts you wish to calculate
=29,104
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=0.5355455279350281}
WEIGHT90
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS91
the atoms involved in each of the contacts you wish to calculate
=29,2652
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=0.5591564774513245}
WEIGHT91
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS92
the atoms involved in each of the contacts you wish to calculate
=29,2655
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=0.49339839816093445}
WEIGHT92
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS93
the atoms involved in each of the contacts you wish to calculate
=29,2731
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=0.5631207823753357}
WEIGHT93
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS94
the atoms involved in each of the contacts you wish to calculate
=29,2734
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=0.5182479619979858}
WEIGHT94
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS95
the atoms involved in each of the contacts you wish to calculate
=29,2737
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=0.584810197353363}
WEIGHT95
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS96
the atoms involved in each of the contacts you wish to calculate
=29,2740
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=0.5456775426864624}
WEIGHT96
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS97
the atoms involved in each of the contacts you wish to calculate
=32,104
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=0.5988038182258606}
WEIGHT97
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS98
the atoms involved in each of the contacts you wish to calculate
=32,2652
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=0.5269240736961365}
WEIGHT98
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS99
the atoms involved in each of the contacts you wish to calculate
=32,2655
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=0.4797280430793762}
WEIGHT99
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS100
the atoms involved in each of the contacts you wish to calculate
=32,2728
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=0.5602812170982361}
WEIGHT100
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS101
the atoms involved in each of the contacts you wish to calculate
=32,2731
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=0.4208301305770874}
WEIGHT101
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS102
the atoms involved in each of the contacts you wish to calculate
=32,2734
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=0.36700138449668884}
WEIGHT102
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS103
the atoms involved in each of the contacts you wish to calculate
=32,2737
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=0.4367218613624573}
WEIGHT103
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS104
the atoms involved in each of the contacts you wish to calculate
=32,2740
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=0.4112578332424164}
WEIGHT104
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS105
the atoms involved in each of the contacts you wish to calculate
=33,2650
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=0.5385499000549316}
WEIGHT105
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS106
the atoms involved in each of the contacts you wish to calculate
=33,2652
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=0.42145463824272156}
WEIGHT106
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS107
the atoms involved in each of the contacts you wish to calculate
=33,2655
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=0.39850470423698425}
WEIGHT107
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS108
the atoms involved in each of the contacts you wish to calculate
=33,2658
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=0.5424988269805908}
WEIGHT108
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS109
the atoms involved in each of the contacts you wish to calculate
=33,2663
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=0.5490728616714478}
WEIGHT109
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS110
the atoms involved in each of the contacts you wish to calculate
=33,2664
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=0.523310661315918}
WEIGHT110
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS111
the atoms involved in each of the contacts you wish to calculate
=33,2726
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=0.5870476961135864}
WEIGHT111
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS112
the atoms involved in each of the contacts you wish to calculate
=33,2728
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=0.4671595096588135}
WEIGHT112
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS113
the atoms involved in each of the contacts you wish to calculate
=33,2731
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=0.33478501439094543}
WEIGHT113
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS114
the atoms involved in each of the contacts you wish to calculate
=33,2734
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=0.31778135895729065}
WEIGHT114
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS115
the atoms involved in each of the contacts you wish to calculate
=33,2737
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=0.41935545206069946}
WEIGHT115
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS116
the atoms involved in each of the contacts you wish to calculate
=33,2740
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=0.4368020296096802}
WEIGHT116
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS117
the atoms involved in each of the contacts you wish to calculate
=34,104
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=0.5802050828933716}
WEIGHT117
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS118
the atoms involved in each of the contacts you wish to calculate
=34,2655
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=0.5830342769622803}
WEIGHT118
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS119
the atoms involved in each of the contacts you wish to calculate
=34,2728
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=0.565544843673706}
WEIGHT119
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS120
the atoms involved in each of the contacts you wish to calculate
=34,2731
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=0.4263167977333069}
WEIGHT120
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS121
the atoms involved in each of the contacts you wish to calculate
=34,2734
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=0.3359970152378082}
WEIGHT121
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS122
the atoms involved in each of the contacts you wish to calculate
=34,2737
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=0.3691774606704712}
WEIGHT122
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS123
the atoms involved in each of the contacts you wish to calculate
=34,2740
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=0.3096368908882141}
WEIGHT123
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS124
the atoms involved in each of the contacts you wish to calculate
=35,92
SWITCH124
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4642133116722107}
WEIGHT124
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS125
the atoms involved in each of the contacts you wish to calculate
=35,94
SWITCH125
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488979816436768}
WEIGHT125
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS126
the atoms involved in each of the contacts you wish to calculate
=35,96
SWITCH126
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4989769458770752}
WEIGHT126
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS127
the atoms involved in each of the contacts you wish to calculate
=35,99
SWITCH127
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4252552092075348}
WEIGHT127
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS128
the atoms involved in each of the contacts you wish to calculate
=35,102
SWITCH128
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4974474608898163}
WEIGHT128
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS129
the atoms involved in each of the contacts you wish to calculate
=35,104
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=0.4686843156814575}
WEIGHT129
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS130
the atoms involved in each of the contacts you wish to calculate
=36,92
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=0.3500528633594513}
WEIGHT130
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS131
the atoms involved in each of the contacts you wish to calculate
=36,94
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=0.4358004331588745}
WEIGHT131
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS132
the atoms involved in each of the contacts you wish to calculate
=36,96
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=0.40144363045692444}
WEIGHT132
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS133
the atoms involved in each of the contacts you wish to calculate
=36,99
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=0.33044666051864624}
WEIGHT133
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS134
the atoms involved in each of the contacts you wish to calculate
=36,102
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=0.4292656183242798}
WEIGHT134
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS135
the atoms involved in each of the contacts you wish to calculate
=36,103
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=0.5437251329421997}
WEIGHT135
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS136
the atoms involved in each of the contacts you wish to calculate
=36,104
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=0.425189346075058}
WEIGHT136
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS137
the atoms involved in each of the contacts you wish to calculate
=36,105
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=0.5624597668647766}
WEIGHT137
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS138
the atoms involved in each of the contacts you wish to calculate
=36,107
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=0.575584888458252}
WEIGHT138
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS139
the atoms involved in each of the contacts you wish to calculate
=39,107
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=0.5676847100257874}
WEIGHT139
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS140
the atoms involved in each of the contacts you wish to calculate
=39,116
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=0.5261891484260559}
WEIGHT140
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS141
the atoms involved in each of the contacts you wish to calculate
=41,116
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=0.5332269668579102}
WEIGHT141
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS142
the atoms involved in each of the contacts you wish to calculate
=44,116
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=0.5894896388053894}
WEIGHT142
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS143
the atoms involved in each of the contacts you wish to calculate
=50,107
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=0.4583917260169983}
WEIGHT143
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS144
the atoms involved in each of the contacts you wish to calculate
=50,109
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=0.56342613697052}
WEIGHT144
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS145
the atoms involved in each of the contacts you wish to calculate
=50,111
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=0.5460485219955444}
WEIGHT145
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS146
the atoms involved in each of the contacts you wish to calculate
=50,114
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=0.5445419549942017}
WEIGHT146
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS147
the atoms involved in each of the contacts you wish to calculate
=50,116
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=0.4548252820968628}
WEIGHT147
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS148
the atoms involved in each of the contacts you wish to calculate
=50,119
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=0.5761700868606567}
WEIGHT148
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS149
the atoms involved in each of the contacts you wish to calculate
=50,2467
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=0.5215869545936584}
WEIGHT149
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS150
the atoms involved in each of the contacts you wish to calculate
=50,2469
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=0.4756511151790619}
WEIGHT150
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS151
the atoms involved in each of the contacts you wish to calculate
=50,2471
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=0.5373173356056213}
WEIGHT151
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS152
the atoms involved in each of the contacts you wish to calculate
=51,107
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=0.351203590631485}
WEIGHT152
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS153
the atoms involved in each of the contacts you wish to calculate
=51,109
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=0.4492549002170563}
WEIGHT153
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS154
the atoms involved in each of the contacts you wish to calculate
=51,111
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=0.42769378423690796}
WEIGHT154
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS155
the atoms involved in each of the contacts you wish to calculate
=51,114
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=0.42310866713523865}
WEIGHT155
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS156
the atoms involved in each of the contacts you wish to calculate
=51,115
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=0.5373955368995667}
WEIGHT156
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS157
the atoms involved in each of the contacts you wish to calculate
=51,116
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=0.3392948508262634}
WEIGHT157
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS158
the atoms involved in each of the contacts you wish to calculate
=51,117
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=0.532347559928894}
WEIGHT158
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS159
the atoms involved in each of the contacts you wish to calculate
=51,119
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=0.4923524558544159}
WEIGHT159
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS160
the atoms involved in each of the contacts you wish to calculate
=51,123
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=0.5943962931632996}
WEIGHT160
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS161
the atoms involved in each of the contacts you wish to calculate
=51,2465
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=0.5987828969955444}
WEIGHT161
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS162
the atoms involved in each of the contacts you wish to calculate
=51,2467
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=0.4938642978668213}
WEIGHT162
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS163
the atoms involved in each of the contacts you wish to calculate
=51,2469
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=0.4193268120288849}
WEIGHT163
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS164
the atoms involved in each of the contacts you wish to calculate
=51,2471
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=0.472708135843277}
WEIGHT164
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS165
the atoms involved in each of the contacts you wish to calculate
=51,2473
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=0.5826576352119446}
WEIGHT165
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS166
the atoms involved in each of the contacts you wish to calculate
=52,119
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=0.5727643370628357}
WEIGHT166
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS167
the atoms involved in each of the contacts you wish to calculate
=52,123
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=0.5799266695976257}
WEIGHT167
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS168
the atoms involved in each of the contacts you wish to calculate
=52,2465
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=0.5586277842521667}
WEIGHT168
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS169
the atoms involved in each of the contacts you wish to calculate
=52,2467
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=0.48920953273773193}
WEIGHT169
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS170
the atoms involved in each of the contacts you wish to calculate
=52,2469
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=0.46481287479400635}
WEIGHT170
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS171
the atoms involved in each of the contacts you wish to calculate
=52,2471
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=0.5161675810813904}
WEIGHT171
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS172
the atoms involved in each of the contacts you wish to calculate
=52,2473
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=0.5834671854972839}
WEIGHT172
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS173
the atoms involved in each of the contacts you wish to calculate
=54,119
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=0.46885713934898376}
WEIGHT173
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS174
the atoms involved in each of the contacts you wish to calculate
=54,121
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=0.5248894691467285}
WEIGHT174
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS175
the atoms involved in each of the contacts you wish to calculate
=54,123
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=0.44589123129844666}
WEIGHT175
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS176
the atoms involved in each of the contacts you wish to calculate
=54,126
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=0.5581764578819275}
WEIGHT176
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS177
the atoms involved in each of the contacts you wish to calculate
=54,2461
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=0.582439661026001}
WEIGHT177
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS178
the atoms involved in each of the contacts you wish to calculate
=54,2464
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=0.47980305552482605}
WEIGHT178
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS179
the atoms involved in each of the contacts you wish to calculate
=54,2465
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=0.4580884277820587}
WEIGHT179
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS180
the atoms involved in each of the contacts you wish to calculate
=54,2467
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=0.41009020805358887}
WEIGHT180
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS181
the atoms involved in each of the contacts you wish to calculate
=54,2469
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=0.3808766007423401}
WEIGHT181
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS182
the atoms involved in each of the contacts you wish to calculate
=54,2471
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=0.40514808893203735}
WEIGHT182
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS183
the atoms involved in each of the contacts you wish to calculate
=54,2473
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=0.45462289452552795}
WEIGHT183
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS184
the atoms involved in each of the contacts you wish to calculate
=54,2611
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=0.5550179481506348}
WEIGHT184
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS185
the atoms involved in each of the contacts you wish to calculate
=56,119
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=0.5571544170379639}
WEIGHT185
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS186
the atoms involved in each of the contacts you wish to calculate
=56,121
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=0.5771732926368713}
WEIGHT186
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS187
the atoms involved in each of the contacts you wish to calculate
=56,123
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=0.465721994638443}
WEIGHT187
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS188
the atoms involved in each of the contacts you wish to calculate
=56,126
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=0.5412105917930603}
WEIGHT188
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS189
the atoms involved in each of the contacts you wish to calculate
=56,2461
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=0.5277404189109802}
WEIGHT189
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS190
the atoms involved in each of the contacts you wish to calculate
=56,2464
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=0.4581364095211029}
WEIGHT190
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS191
the atoms involved in each of the contacts you wish to calculate
=56,2465
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=0.4401760995388031}
WEIGHT191
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS192
the atoms involved in each of the contacts you wish to calculate
=56,2467
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=0.43476659059524536}
WEIGHT192
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS193
the atoms involved in each of the contacts you wish to calculate
=56,2469
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=0.4461759626865387}
WEIGHT193
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS194
the atoms involved in each of the contacts you wish to calculate
=56,2471
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=0.46275800466537476}
WEIGHT194
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS195
the atoms involved in each of the contacts you wish to calculate
=56,2473
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=0.4685274660587311}
WEIGHT195
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS196
the atoms involved in each of the contacts you wish to calculate
=56,2538
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=0.5897083282470703}
WEIGHT196
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS197
the atoms involved in each of the contacts you wish to calculate
=56,2544
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=0.5949806571006775}
WEIGHT197
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS198
the atoms involved in each of the contacts you wish to calculate
=56,2545
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=0.5031113028526306}
WEIGHT198
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS199
the atoms involved in each of the contacts you wish to calculate
=56,2603
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=0.5418763160705566}
WEIGHT199
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS200
the atoms involved in each of the contacts you wish to calculate
=56,2605
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=0.5052533745765686}
WEIGHT200
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS201
the atoms involved in each of the contacts you wish to calculate
=56,2607
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=0.49276968836784363}
WEIGHT201
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS202
the atoms involved in each of the contacts you wish to calculate
=56,2611
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=0.4140470623970032}
WEIGHT202
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS203
the atoms involved in each of the contacts you wish to calculate
=58,119
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=0.5058459043502808}
WEIGHT203
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS204
the atoms involved in each of the contacts you wish to calculate
=58,121
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=0.49054867029190063}
WEIGHT204
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS205
the atoms involved in each of the contacts you wish to calculate
=58,123
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=0.36446672677993774}
WEIGHT205
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS206
the atoms involved in each of the contacts you wish to calculate
=58,126
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=0.41433554887771606}
WEIGHT206
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS207
the atoms involved in each of the contacts you wish to calculate
=58,128
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=0.527395486831665}
WEIGHT207
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS208
the atoms involved in each of the contacts you wish to calculate
=58,132
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=0.5016961097717285}
WEIGHT208
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS209
the atoms involved in each of the contacts you wish to calculate
=58,2459
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=0.5468034744262695}
WEIGHT209
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS210
the atoms involved in each of the contacts you wish to calculate
=58,2461
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=0.4069041609764099}
WEIGHT210
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS211
the atoms involved in each of the contacts you wish to calculate
=58,2464
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=0.36324644088745117}
WEIGHT211
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS212
the atoms involved in each of the contacts you wish to calculate
=58,2465
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=0.3867790102958679}
WEIGHT212
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS213
the atoms involved in each of the contacts you wish to calculate
=58,2467
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=0.42064356803894043}
WEIGHT213
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS214
the atoms involved in each of the contacts you wish to calculate
=58,2469
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=0.43141627311706543}
WEIGHT214
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS215
the atoms involved in each of the contacts you wish to calculate
=58,2471
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=0.40966570377349854}
WEIGHT215
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS216
the atoms involved in each of the contacts you wish to calculate
=58,2473
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=0.3751066327095032}
WEIGHT216
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS217
the atoms involved in each of the contacts you wish to calculate
=58,2476
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=0.5798593759536743}
WEIGHT217
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS218
the atoms involved in each of the contacts you wish to calculate
=58,2536
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=0.5799698233604431}
WEIGHT218
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS219
the atoms involved in each of the contacts you wish to calculate
=58,2538
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=0.5223801136016846}
WEIGHT219
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS220
the atoms involved in each of the contacts you wish to calculate
=58,2541
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=0.5825066566467285}
WEIGHT220
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS221
the atoms involved in each of the contacts you wish to calculate
=58,2544
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=0.5131286382675171}
WEIGHT221
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS222
the atoms involved in each of the contacts you wish to calculate
=58,2545
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=0.43519654870033264}
WEIGHT222
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS223
the atoms involved in each of the contacts you wish to calculate
=58,2546
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=0.5814653635025024}
WEIGHT223
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS224
the atoms involved in each of the contacts you wish to calculate
=58,2548
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=0.5824714303016663}
WEIGHT224
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS225
the atoms involved in each of the contacts you wish to calculate
=58,2559
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=0.5425218343734741}
WEIGHT225
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS226
the atoms involved in each of the contacts you wish to calculate
=58,2601
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=0.5872052311897278}
WEIGHT226
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS227
the atoms involved in each of the contacts you wish to calculate
=58,2603
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=0.5295969843864441}
WEIGHT227
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS228
the atoms involved in each of the contacts you wish to calculate
=58,2605
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=0.458198606967926}
WEIGHT228
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS229
the atoms involved in each of the contacts you wish to calculate
=58,2607
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=0.46102166175842285}
WEIGHT229
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS230
the atoms involved in each of the contacts you wish to calculate
=58,2611
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=0.3391665816307068}
WEIGHT230
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS231
the atoms involved in each of the contacts you wish to calculate
=62,123
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=0.5930843353271484}
WEIGHT231
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS232
the atoms involved in each of the contacts you wish to calculate
=62,2461
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=0.5372951030731201}
WEIGHT232
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS233
the atoms involved in each of the contacts you wish to calculate
=62,2464
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=0.4698350727558136}
WEIGHT233
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS234
the atoms involved in each of the contacts you wish to calculate
=62,2465
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=0.41139885783195496}
WEIGHT234
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS235
the atoms involved in each of the contacts you wish to calculate
=62,2467
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=0.4066939949989319}
WEIGHT235
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS236
the atoms involved in each of the contacts you wish to calculate
=62,2469
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=0.4599880278110504}
WEIGHT236
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS237
the atoms involved in each of the contacts you wish to calculate
=62,2471
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=0.5118290185928345}
WEIGHT237
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS238
the atoms involved in each of the contacts you wish to calculate
=62,2473
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=0.5162479877471924}
WEIGHT238
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS239
the atoms involved in each of the contacts you wish to calculate
=62,2536
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=0.5698596835136414}
WEIGHT239
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS240
the atoms involved in each of the contacts you wish to calculate
=62,2538
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=0.5144258737564087}
WEIGHT240
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS241
the atoms involved in each of the contacts you wish to calculate
=62,2541
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=0.5126606822013855}
WEIGHT241
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS242
the atoms involved in each of the contacts you wish to calculate
=62,2542
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=0.5366646647453308}
WEIGHT242
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS243
the atoms involved in each of the contacts you wish to calculate
=62,2543
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=0.5333160161972046}
WEIGHT243
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS244
the atoms involved in each of the contacts you wish to calculate
=62,2544
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=0.549654483795166}
WEIGHT244
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS245
the atoms involved in each of the contacts you wish to calculate
=62,2545
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=0.46315982937812805}
WEIGHT245
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS246
the atoms involved in each of the contacts you wish to calculate
=62,2601
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=0.598014235496521}
WEIGHT246
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS247
the atoms involved in each of the contacts you wish to calculate
=62,2603
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=0.5578117966651917}
WEIGHT247
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS248
the atoms involved in each of the contacts you wish to calculate
=62,2605
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=0.5557886362075806}
WEIGHT248
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS249
the atoms involved in each of the contacts you wish to calculate
=62,2607
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=0.5759896039962769}
WEIGHT249
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS250
the atoms involved in each of the contacts you wish to calculate
=62,2611
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=0.45893463492393494}
WEIGHT250
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS251
the atoms involved in each of the contacts you wish to calculate
=65,2461
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=0.514797031879425}
WEIGHT251
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS252
the atoms involved in each of the contacts you wish to calculate
=65,2464
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=0.4881341755390167}
WEIGHT252
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS253
the atoms involved in each of the contacts you wish to calculate
=65,2465
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=0.4367527961730957}
WEIGHT253
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS254
the atoms involved in each of the contacts you wish to calculate
=65,2467
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=0.47396835684776306}
WEIGHT254
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS255
the atoms involved in each of the contacts you wish to calculate
=65,2469
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=0.5524011254310608}
WEIGHT255
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS256
the atoms involved in each of the contacts you wish to calculate
=65,2471
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=0.5931483507156372}
WEIGHT256
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS257
the atoms involved in each of the contacts you wish to calculate
=65,2473
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=0.5642286539077759}
WEIGHT257
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS258
the atoms involved in each of the contacts you wish to calculate
=65,2534
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=0.5855545401573181}
WEIGHT258
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS259
the atoms involved in each of the contacts you wish to calculate
=65,2536
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=0.4398113191127777}
WEIGHT259
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS260
the atoms involved in each of the contacts you wish to calculate
=65,2538
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=0.4140555262565613}
WEIGHT260
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS261
the atoms involved in each of the contacts you wish to calculate
=65,2541
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=0.42745405435562134}
WEIGHT261
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS262
the atoms involved in each of the contacts you wish to calculate
=65,2542
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=0.4373202323913574}
WEIGHT262
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS263
the atoms involved in each of the contacts you wish to calculate
=65,2543
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=0.48121926188468933}
WEIGHT263
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS264
the atoms involved in each of the contacts you wish to calculate
=65,2544
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=0.4164300560951233}
WEIGHT264
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS265
the atoms involved in each of the contacts you wish to calculate
=65,2545
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=0.3261701762676239}
WEIGHT265
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS266
the atoms involved in each of the contacts you wish to calculate
=65,2546
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=0.53398597240448}
WEIGHT266
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS267
the atoms involved in each of the contacts you wish to calculate
=65,2548
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=0.5825890302658081}
WEIGHT267
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS268
the atoms involved in each of the contacts you wish to calculate
=65,2564
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=0.5870212316513062}
WEIGHT268
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS269
the atoms involved in each of the contacts you wish to calculate
=65,2586
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=0.5915479063987732}
WEIGHT269
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS270
the atoms involved in each of the contacts you wish to calculate
=65,2588
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=0.5352625846862793}
WEIGHT270
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS271
the atoms involved in each of the contacts you wish to calculate
=65,2599
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=0.5282433032989502}
WEIGHT271
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS272
the atoms involved in each of the contacts you wish to calculate
=65,2600
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=0.564246416091919}
WEIGHT272
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS273
the atoms involved in each of the contacts you wish to calculate
=65,2601
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=0.48008018732070923}
WEIGHT273
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS274
the atoms involved in each of the contacts you wish to calculate
=65,2603
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=0.47031688690185547}
WEIGHT274
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS275
the atoms involved in each of the contacts you wish to calculate
=65,2605
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=0.4844264090061188}
WEIGHT275
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS276
the atoms involved in each of the contacts you wish to calculate
=65,2607
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=0.5429861545562744}
WEIGHT276
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS277
the atoms involved in each of the contacts you wish to calculate
=65,2611
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=0.38192272186279297}
WEIGHT277
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS278
the atoms involved in each of the contacts you wish to calculate
=69,119
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=0.37284448742866516}
WEIGHT278
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS279
the atoms involved in each of the contacts you wish to calculate
=69,121
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=0.4268149137496948}
WEIGHT279
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS280
the atoms involved in each of the contacts you wish to calculate
=69,123
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=0.3519900143146515}
WEIGHT280
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS281
the atoms involved in each of the contacts you wish to calculate
=69,126
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=0.4733909070491791}
WEIGHT281
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS282
the atoms involved in each of the contacts you wish to calculate
=69,128
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=0.5413861274719238}
WEIGHT282
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS283
the atoms involved in each of the contacts you wish to calculate
=69,132
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=0.5894725918769836}
WEIGHT283
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS284
the atoms involved in each of the contacts you wish to calculate
=69,136
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=0.5276097059249878}
WEIGHT284
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS285
the atoms involved in each of the contacts you wish to calculate
=69,138
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=0.5249733328819275}
WEIGHT285
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS286
the atoms involved in each of the contacts you wish to calculate
=69,2464
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=0.5269506573677063}
WEIGHT286
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS287
the atoms involved in each of the contacts you wish to calculate
=69,2465
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=0.5415283441543579}
WEIGHT287
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS288
the atoms involved in each of the contacts you wish to calculate
=69,2467
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=0.5013920068740845}
WEIGHT288
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS289
the atoms involved in each of the contacts you wish to calculate
=69,2469
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=0.43850767612457275}
WEIGHT289
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS290
the atoms involved in each of the contacts you wish to calculate
=69,2471
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=0.4189164340496063}
WEIGHT290
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS291
the atoms involved in each of the contacts you wish to calculate
=69,2473
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=0.4670652747154236}
WEIGHT291
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS292
the atoms involved in each of the contacts you wish to calculate
=69,2607
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=0.5837138891220093}
WEIGHT292
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS293
the atoms involved in each of the contacts you wish to calculate
=69,2611
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=0.5749373435974121}
WEIGHT293
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS294
the atoms involved in each of the contacts you wish to calculate
=70,119
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=0.251882940530777}
WEIGHT294
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS295
the atoms involved in each of the contacts you wish to calculate
=70,121
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=0.3234733045101166}
WEIGHT295
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS296
the atoms involved in each of the contacts you wish to calculate
=70,123
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=0.2846067249774933}
WEIGHT296
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS297
the atoms involved in each of the contacts you wish to calculate
=70,126
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=0.4275265634059906}
WEIGHT297
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS298
the atoms involved in each of the contacts you wish to calculate
=70,128
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=0.496599406003952}
WEIGHT298
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS299
the atoms involved in each of the contacts you wish to calculate
=70,132
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=0.5297338962554932}
WEIGHT299
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS300
the atoms involved in each of the contacts you wish to calculate
=70,136
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=0.42718616127967834}
WEIGHT300
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS301
the atoms involved in each of the contacts you wish to calculate
=70,137
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=0.5396026372909546}
WEIGHT301
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS302
the atoms involved in each of the contacts you wish to calculate
=70,138
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=0.42529165744781494}
WEIGHT302
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS303
the atoms involved in each of the contacts you wish to calculate
=70,140
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=0.558323323726654}
WEIGHT303
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS304
the atoms involved in each of the contacts you wish to calculate
=70,142
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=0.590265154838562}
WEIGHT304
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS305
the atoms involved in each of the contacts you wish to calculate
=70,154
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=0.5679463148117065}
WEIGHT305
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS306
the atoms involved in each of the contacts you wish to calculate
=70,2464
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=0.5006445646286011}
WEIGHT306
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS307
the atoms involved in each of the contacts you wish to calculate
=70,2465
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=0.532699704170227}
WEIGHT307
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS308
the atoms involved in each of the contacts you wish to calculate
=70,2467
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=0.4880101978778839}
WEIGHT308
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS309
the atoms involved in each of the contacts you wish to calculate
=70,2469
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=0.39752355217933655}
WEIGHT309
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS310
the atoms involved in each of the contacts you wish to calculate
=70,2471
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=0.35187920928001404}
WEIGHT310
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS311
the atoms involved in each of the contacts you wish to calculate
=70,2473
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=0.4124245047569275}
WEIGHT311
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS312
the atoms involved in each of the contacts you wish to calculate
=71,138
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=0.5477636456489563}
WEIGHT312
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS313
the atoms involved in each of the contacts you wish to calculate
=71,2469
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=0.5695550441741943}
WEIGHT313
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS314
the atoms involved in each of the contacts you wish to calculate
=71,2471
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=0.5449045896530151}
WEIGHT314
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS315
the atoms involved in each of the contacts you wish to calculate
=71,2473
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=0.5797499418258667}
WEIGHT315
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS316
the atoms involved in each of the contacts you wish to calculate
=71,2607
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=0.5113179087638855}
WEIGHT316
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS317
the atoms involved in each of the contacts you wish to calculate
=71,2611
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=0.5579631924629211}
WEIGHT317
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS318
the atoms involved in each of the contacts you wish to calculate
=73,138
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=0.46620383858680725}
WEIGHT318
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS319
the atoms involved in each of the contacts you wish to calculate
=73,140
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=0.5502926111221313}
WEIGHT319
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS320
the atoms involved in each of the contacts you wish to calculate
=73,142
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=0.5086000561714172}
WEIGHT320
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS321
the atoms involved in each of the contacts you wish to calculate
=73,154
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=0.574499785900116}
WEIGHT321
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS322
the atoms involved in each of the contacts you wish to calculate
=73,2607
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=0.5406893491744995}
WEIGHT322
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS323
the atoms involved in each of the contacts you wish to calculate
=75,138
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=0.58132004737854}
WEIGHT323
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS324
the atoms involved in each of the contacts you wish to calculate
=75,142
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=0.5661492943763733}
WEIGHT324
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS325
the atoms involved in each of the contacts you wish to calculate
=75,593
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=0.5409870743751526}
WEIGHT325
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS326
the atoms involved in each of the contacts you wish to calculate
=75,2607
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=0.5272703766822815}
WEIGHT326
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS327
the atoms involved in each of the contacts you wish to calculate
=78,593
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=0.5321522355079651}
WEIGHT327
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS328
the atoms involved in each of the contacts you wish to calculate
=78,660
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=0.5743744373321533}
WEIGHT328
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS329
the atoms involved in each of the contacts you wish to calculate
=78,661
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=0.5494751930236816}
WEIGHT329
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS330
the atoms involved in each of the contacts you wish to calculate
=78,663
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=0.5500572919845581}
WEIGHT330
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS331
the atoms involved in each of the contacts you wish to calculate
=78,665
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=0.5729930400848389}
WEIGHT331
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS332
the atoms involved in each of the contacts you wish to calculate
=78,668
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=0.5964378118515015}
WEIGHT332
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS333
the atoms involved in each of the contacts you wish to calculate
=78,670
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=0.5960972905158997}
WEIGHT333
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS334
the atoms involved in each of the contacts you wish to calculate
=78,2605
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=0.5534022450447083}
WEIGHT334
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS335
the atoms involved in each of the contacts you wish to calculate
=78,2607
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=0.4091589152812958}
WEIGHT335
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS336
the atoms involved in each of the contacts you wish to calculate
=78,2611
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=0.5891977548599243}
WEIGHT336
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS337
the atoms involved in each of the contacts you wish to calculate
=78,2678
SWITCH337
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441011190414429}
WEIGHT337
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS338
the atoms involved in each of the contacts you wish to calculate
=78,2680
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=0.5764555931091309}
WEIGHT338
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS339
the atoms involved in each of the contacts you wish to calculate
=78,2684
SWITCH339
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5304809212684631}
WEIGHT339
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS340
the atoms involved in each of the contacts you wish to calculate
=79,142
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=0.5594711899757385}
WEIGHT340
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS341
the atoms involved in each of the contacts you wish to calculate
=79,593
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=0.5337883830070496}
WEIGHT341
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS342
the atoms involved in each of the contacts you wish to calculate
=79,657
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=0.5099999904632568}
WEIGHT342
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS343
the atoms involved in each of the contacts you wish to calculate
=79,660
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=0.44384005665779114}
WEIGHT343
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS344
the atoms involved in each of the contacts you wish to calculate
=79,661
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=0.411265105009079}
WEIGHT344
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS345
the atoms involved in each of the contacts you wish to calculate
=79,663
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=0.4145781099796295}
WEIGHT345
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS346
the atoms involved in each of the contacts you wish to calculate
=79,665
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=0.44745615124702454}
WEIGHT346
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS347
the atoms involved in each of the contacts you wish to calculate
=79,666
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=0.5085675716400146}
WEIGHT347
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS348
the atoms involved in each of the contacts you wish to calculate
=79,668
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=0.4770597815513611}
WEIGHT348
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS349
the atoms involved in each of the contacts you wish to calculate
=79,670
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=0.4742699861526489}
WEIGHT349
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS350
the atoms involved in each of the contacts you wish to calculate
=79,2605
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=0.5030527114868164}
WEIGHT350
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS351
the atoms involved in each of the contacts you wish to calculate
=79,2607
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=0.36100277304649353}
WEIGHT351
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS352
the atoms involved in each of the contacts you wish to calculate
=79,2611
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=0.537484884262085}
WEIGHT352
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS353
the atoms involved in each of the contacts you wish to calculate
=79,2678
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=0.5346755981445312}
WEIGHT353
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS354
the atoms involved in each of the contacts you wish to calculate
=79,2680
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=0.57950758934021}
WEIGHT354
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS355
the atoms involved in each of the contacts you wish to calculate
=79,2684
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=0.5288572311401367}
WEIGHT355
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS356
the atoms involved in each of the contacts you wish to calculate
=81,593
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=0.5786786675453186}
WEIGHT356
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS357
the atoms involved in each of the contacts you wish to calculate
=81,613
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=0.5563380122184753}
WEIGHT357
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS358
the atoms involved in each of the contacts you wish to calculate
=81,655
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=0.5928802490234375}
WEIGHT358
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS359
the atoms involved in each of the contacts you wish to calculate
=81,657
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=0.4654642641544342}
WEIGHT359
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS360
the atoms involved in each of the contacts you wish to calculate
=81,660
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=0.37397992610931396}
WEIGHT360
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS361
the atoms involved in each of the contacts you wish to calculate
=81,661
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=0.3611011207103729}
WEIGHT361
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS362
the atoms involved in each of the contacts you wish to calculate
=81,663
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=0.34724918007850647}
WEIGHT362
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS363
the atoms involved in each of the contacts you wish to calculate
=81,665
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=0.34329870343208313}
WEIGHT363
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS364
the atoms involved in each of the contacts you wish to calculate
=81,666
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=0.4047394096851349}
WEIGHT364
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS365
the atoms involved in each of the contacts you wish to calculate
=81,668
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=0.35563042759895325}
WEIGHT365
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS366
the atoms involved in each of the contacts you wish to calculate
=81,670
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=0.36953622102737427}
WEIGHT366
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS367
the atoms involved in each of the contacts you wish to calculate
=81,2603
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=0.5475637316703796}
WEIGHT367
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS368
the atoms involved in each of the contacts you wish to calculate
=81,2605
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=0.4423268139362335}
WEIGHT368
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS369
the atoms involved in each of the contacts you wish to calculate
=81,2607
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=0.2993426024913788}
WEIGHT369
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS370
the atoms involved in each of the contacts you wish to calculate
=81,2611
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=0.5084987878799438}
WEIGHT370
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS371
the atoms involved in each of the contacts you wish to calculate
=81,2615
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=0.5406792163848877}
WEIGHT371
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS372
the atoms involved in each of the contacts you wish to calculate
=81,2616
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=0.5521241426467896}
WEIGHT372
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS373
the atoms involved in each of the contacts you wish to calculate
=81,2617
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=0.5704919099807739}
WEIGHT373
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS374
the atoms involved in each of the contacts you wish to calculate
=81,2672
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=0.49500909447669983}
WEIGHT374
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS375
the atoms involved in each of the contacts you wish to calculate
=81,2675
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=0.5409741401672363}
WEIGHT375
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS376
the atoms involved in each of the contacts you wish to calculate
=81,2678
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=0.4555644989013672}
WEIGHT376
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS377
the atoms involved in each of the contacts you wish to calculate
=81,2680
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=0.5254369974136353}
WEIGHT377
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS378
the atoms involved in each of the contacts you wish to calculate
=81,2684
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=0.49728161096572876}
WEIGHT378
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS379
the atoms involved in each of the contacts you wish to calculate
=83,613
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=0.5380910634994507}
WEIGHT379
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS380
the atoms involved in each of the contacts you wish to calculate
=83,657
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=0.5544375777244568}
WEIGHT380
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS381
the atoms involved in each of the contacts you wish to calculate
=83,660
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=0.46308204531669617}
WEIGHT381
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS382
the atoms involved in each of the contacts you wish to calculate
=83,661
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=0.4733096659183502}
WEIGHT382
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS383
the atoms involved in each of the contacts you wish to calculate
=83,663
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=0.4469250440597534}
WEIGHT383
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS384
the atoms involved in each of the contacts you wish to calculate
=83,665
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=0.4034154415130615}
WEIGHT384
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS385
the atoms involved in each of the contacts you wish to calculate
=83,666
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=0.4404633641242981}
WEIGHT385
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS386
the atoms involved in each of the contacts you wish to calculate
=83,668
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=0.3897114396095276}
WEIGHT386
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS387
the atoms involved in each of the contacts you wish to calculate
=83,670
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=0.42044857144355774}
WEIGHT387
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS388
the atoms involved in each of the contacts you wish to calculate
=83,1300
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=0.5976797342300415}
WEIGHT388
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS389
the atoms involved in each of the contacts you wish to calculate
=83,2603
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=0.5093761086463928}
WEIGHT389
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS390
the atoms involved in each of the contacts you wish to calculate
=83,2605
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=0.4374139904975891}
WEIGHT390
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS391
the atoms involved in each of the contacts you wish to calculate
=83,2607
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=0.29243460297584534}
WEIGHT391
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS392
the atoms involved in each of the contacts you wish to calculate
=83,2611
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=0.5360270142555237}
WEIGHT392
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS393
the atoms involved in each of the contacts you wish to calculate
=83,2615
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=0.4678204655647278}
WEIGHT393
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS394
the atoms involved in each of the contacts you wish to calculate
=83,2616
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=0.4588605463504791}
WEIGHT394
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS395
the atoms involved in each of the contacts you wish to calculate
=83,2617
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=0.49652087688446045}
WEIGHT395
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS396
the atoms involved in each of the contacts you wish to calculate
=83,2618
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=0.5639095902442932}
WEIGHT396
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS397
the atoms involved in each of the contacts you wish to calculate
=83,2627
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=0.520748496055603}
WEIGHT397
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS398
the atoms involved in each of the contacts you wish to calculate
=83,2665
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=0.5285735130310059}
WEIGHT398
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS399
the atoms involved in each of the contacts you wish to calculate
=83,2667
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=0.5291739106178284}
WEIGHT399
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS400
the atoms involved in each of the contacts you wish to calculate
=83,2669
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=0.4898703694343567}
WEIGHT400
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS401
the atoms involved in each of the contacts you wish to calculate
=83,2672
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=0.37011080980300903}
WEIGHT401
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS402
the atoms involved in each of the contacts you wish to calculate
=83,2675
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=0.4307609498500824}
WEIGHT402
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS403
the atoms involved in each of the contacts you wish to calculate
=83,2678
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=0.36832186579704285}
WEIGHT403
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS404
the atoms involved in each of the contacts you wish to calculate
=83,2680
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=0.45705360174179077}
WEIGHT404
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS405
the atoms involved in each of the contacts you wish to calculate
=83,2681
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=0.5753790140151978}
WEIGHT405
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS406
the atoms involved in each of the contacts you wish to calculate
=83,2684
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=0.4617304503917694}
WEIGHT406
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS407
the atoms involved in each of the contacts you wish to calculate
=84,611
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=0.5776824355125427}
WEIGHT407
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS408
the atoms involved in each of the contacts you wish to calculate
=84,612
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=0.5904743671417236}
WEIGHT408
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS409
the atoms involved in each of the contacts you wish to calculate
=84,613
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=0.4805174171924591}
WEIGHT409
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS410
the atoms involved in each of the contacts you wish to calculate
=84,657
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=0.5664891600608826}
WEIGHT410
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS411
the atoms involved in each of the contacts you wish to calculate
=84,660
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=0.4628865718841553}
WEIGHT411
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS412
the atoms involved in each of the contacts you wish to calculate
=84,661
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=0.4921676516532898}
WEIGHT412
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS413
the atoms involved in each of the contacts you wish to calculate
=84,663
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=0.4532119035720825}
WEIGHT413
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS414
the atoms involved in each of the contacts you wish to calculate
=84,665
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=0.3705846667289734}
WEIGHT414
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS415
the atoms involved in each of the contacts you wish to calculate
=84,666
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=0.39513665437698364}
WEIGHT415
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS416
the atoms involved in each of the contacts you wish to calculate
=84,668
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=0.328198105096817}
WEIGHT416
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS417
the atoms involved in each of the contacts you wish to calculate
=84,670
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=0.3812532126903534}
WEIGHT417
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS418
the atoms involved in each of the contacts you wish to calculate
=84,1298
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=0.5850760340690613}
WEIGHT418
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS419
the atoms involved in each of the contacts you wish to calculate
=84,1300
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=0.47287842631340027}
WEIGHT419
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS420
the atoms involved in each of the contacts you wish to calculate
=84,1301
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=0.5242957472801208}
WEIGHT420
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS421
the atoms involved in each of the contacts you wish to calculate
=84,1854
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=0.5893479585647583}
WEIGHT421
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS422
the atoms involved in each of the contacts you wish to calculate
=84,2603
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=0.4980331361293793}
WEIGHT422
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS423
the atoms involved in each of the contacts you wish to calculate
=84,2605
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=0.4368912875652313}
WEIGHT423
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS424
the atoms involved in each of the contacts you wish to calculate
=84,2607
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=0.3189874589443207}
WEIGHT424
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS425
the atoms involved in each of the contacts you wish to calculate
=84,2611
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=0.5603195428848267}
WEIGHT425
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS426
the atoms involved in each of the contacts you wish to calculate
=84,2615
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=0.42758509516716003}
WEIGHT426
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS427
the atoms involved in each of the contacts you wish to calculate
=84,2616
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=0.43093156814575195}
WEIGHT427
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS428
the atoms involved in each of the contacts you wish to calculate
=84,2617
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=0.4205448627471924}
WEIGHT428
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS429
the atoms involved in each of the contacts you wish to calculate
=84,2618
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=0.48204874992370605}
WEIGHT429
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS430
the atoms involved in each of the contacts you wish to calculate
=84,2621
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=0.5623540282249451}
WEIGHT430
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS431
the atoms involved in each of the contacts you wish to calculate
=84,2624
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=0.5090550184249878}
WEIGHT431
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS432
the atoms involved in each of the contacts you wish to calculate
=84,2627
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=0.4201594591140747}
WEIGHT432
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS433
the atoms involved in each of the contacts you wish to calculate
=84,2629
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=0.5232294201850891}
WEIGHT433
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS434
the atoms involved in each of the contacts you wish to calculate
=84,2630
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=0.5527838468551636}
WEIGHT434
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS435
the atoms involved in each of the contacts you wish to calculate
=84,2663
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=0.5927638411521912}
WEIGHT435
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS436
the atoms involved in each of the contacts you wish to calculate
=84,2665
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=0.48623141646385193}
WEIGHT436
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS437
the atoms involved in each of the contacts you wish to calculate
=84,2667
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=0.47543033957481384}
WEIGHT437
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS438
the atoms involved in each of the contacts you wish to calculate
=84,2669
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=0.401634156703949}
WEIGHT438
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS439
the atoms involved in each of the contacts you wish to calculate
=84,2672
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=0.28019100427627563}
WEIGHT439
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS440
the atoms involved in each of the contacts you wish to calculate
=84,2675
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=0.3654777705669403}
WEIGHT440
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS441
the atoms involved in each of the contacts you wish to calculate
=84,2678
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=0.3380443751811981}
WEIGHT441
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS442
the atoms involved in each of the contacts you wish to calculate
=84,2680
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=0.45398786664009094}
WEIGHT442
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS443
the atoms involved in each of the contacts you wish to calculate
=84,2681
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=0.5651317834854126}
WEIGHT443
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS444
the atoms involved in each of the contacts you wish to calculate
=84,2684
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=0.48759204149246216}
WEIGHT444
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS445
the atoms involved in each of the contacts you wish to calculate
=86,660
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=0.5883969664573669}
WEIGHT445
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS446
the atoms involved in each of the contacts you wish to calculate
=86,661
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=0.5967662930488586}
WEIGHT446
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS447
the atoms involved in each of the contacts you wish to calculate
=86,663
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=0.5739424824714661}
WEIGHT447
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS448
the atoms involved in each of the contacts you wish to calculate
=86,665
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=0.5375928282737732}
WEIGHT448
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS449
the atoms involved in each of the contacts you wish to calculate
=86,666
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=0.5634943842887878}
WEIGHT449
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS450
the atoms involved in each of the contacts you wish to calculate
=86,668
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=0.5269772410392761}
WEIGHT450
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS451
the atoms involved in each of the contacts you wish to calculate
=86,670
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=0.5524536371231079}
WEIGHT451
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS452
the atoms involved in each of the contacts you wish to calculate
=86,2603
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=0.5344286561012268}
WEIGHT452
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS453
the atoms involved in each of the contacts you wish to calculate
=86,2605
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=0.4927119016647339}
WEIGHT453
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS454
the atoms involved in each of the contacts you wish to calculate
=86,2607
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=0.3480890691280365}
WEIGHT454
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS455
the atoms involved in each of the contacts you wish to calculate
=86,2611
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=0.5869965553283691}
WEIGHT455
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS456
the atoms involved in each of the contacts you wish to calculate
=86,2615
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=0.48653674125671387}
WEIGHT456
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS457
the atoms involved in each of the contacts you wish to calculate
=86,2616
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=0.4436225891113281}
WEIGHT457
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS458
the atoms involved in each of the contacts you wish to calculate
=86,2617
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=0.540726363658905}
WEIGHT458
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS459
the atoms involved in each of the contacts you wish to calculate
=86,2627
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=0.5585525631904602}
WEIGHT459
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS460
the atoms involved in each of the contacts you wish to calculate
=86,2648
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=0.5959513187408447}
WEIGHT460
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS461
the atoms involved in each of the contacts you wish to calculate
=86,2650
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=0.5724080801010132}
WEIGHT461
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS462
the atoms involved in each of the contacts you wish to calculate
=86,2652
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=0.5106260776519775}
WEIGHT462
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS463
the atoms involved in each of the contacts you wish to calculate
=86,2663
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=0.5285886526107788}
WEIGHT463
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS464
the atoms involved in each of the contacts you wish to calculate
=86,2664
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=0.5888029932975769}
WEIGHT464
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS465
the atoms involved in each of the contacts you wish to calculate
=86,2665
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=0.46595922112464905}
WEIGHT465
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS466
the atoms involved in each of the contacts you wish to calculate
=86,2667
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=0.47621527314186096}
WEIGHT466
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS467
the atoms involved in each of the contacts you wish to calculate
=86,2669
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=0.4780386984348297}
WEIGHT467
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS468
the atoms involved in each of the contacts you wish to calculate
=86,2672
SWITCH468
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3802052140235901}
WEIGHT468
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS469
the atoms involved in each of the contacts you wish to calculate
=86,2675
SWITCH469
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4338213801383972}
WEIGHT469
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS470
the atoms involved in each of the contacts you wish to calculate
=86,2678
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=0.3784719407558441}
WEIGHT470
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS471
the atoms involved in each of the contacts you wish to calculate
=86,2680
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=0.45073941349983215}
WEIGHT471
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS472
the atoms involved in each of the contacts you wish to calculate
=86,2681
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=0.5534012913703918}
WEIGHT472
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS473
the atoms involved in each of the contacts you wish to calculate
=86,2684
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=0.4620140492916107}
WEIGHT473
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS474
the atoms involved in each of the contacts you wish to calculate
=88,593
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=0.5740914940834045}
WEIGHT474
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS475
the atoms involved in each of the contacts you wish to calculate
=88,2603
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=0.5949587821960449}
WEIGHT475
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS476
the atoms involved in each of the contacts you wish to calculate
=88,2605
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=0.5474623441696167}
WEIGHT476
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS477
the atoms involved in each of the contacts you wish to calculate
=88,2607
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=0.40191787481307983}
WEIGHT477
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS478
the atoms involved in each of the contacts you wish to calculate
=88,2615
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=0.5744771361351013}
WEIGHT478
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS479
the atoms involved in each of the contacts you wish to calculate
=88,2616
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=0.528489351272583}
WEIGHT479
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS480
the atoms involved in each of the contacts you wish to calculate
=88,2652
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=0.5432062149047852}
WEIGHT480
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS481
the atoms involved in each of the contacts you wish to calculate
=88,2665
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=0.5644838809967041}
WEIGHT481
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS482
the atoms involved in each of the contacts you wish to calculate
=88,2667
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=0.5825092196464539}
WEIGHT482
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS483
the atoms involved in each of the contacts you wish to calculate
=88,2672
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=0.5106368660926819}
WEIGHT483
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS484
the atoms involved in each of the contacts you wish to calculate
=88,2675
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=0.5458452105522156}
WEIGHT484
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS485
the atoms involved in each of the contacts you wish to calculate
=88,2678
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=0.47124624252319336}
WEIGHT485
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS486
the atoms involved in each of the contacts you wish to calculate
=88,2680
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=0.5132855176925659}
WEIGHT486
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS487
the atoms involved in each of the contacts you wish to calculate
=88,2684
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=0.49608367681503296}
WEIGHT487
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS488
the atoms involved in each of the contacts you wish to calculate
=90,138
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=0.39824992418289185}
WEIGHT488
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS489
the atoms involved in each of the contacts you wish to calculate
=90,140
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=0.4764504134654999}
WEIGHT489
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS490
the atoms involved in each of the contacts you wish to calculate
=90,142
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=0.4577368497848511}
WEIGHT490
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS491
the atoms involved in each of the contacts you wish to calculate
=90,145
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=0.5985524654388428}
WEIGHT491
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS492
the atoms involved in each of the contacts you wish to calculate
=90,153
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=0.5099735856056213}
WEIGHT492
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS493
the atoms involved in each of the contacts you wish to calculate
=90,154
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=0.44798776507377625}
WEIGHT493
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS494
the atoms involved in each of the contacts you wish to calculate
=90,183
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=0.5033587217330933}
WEIGHT494
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS495
the atoms involved in each of the contacts you wish to calculate
=90,186
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=0.5682727694511414}
WEIGHT495
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS496
the atoms involved in each of the contacts you wish to calculate
=91,138
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=0.30443719029426575}
WEIGHT496
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS497
the atoms involved in each of the contacts you wish to calculate
=91,140
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=0.36182039976119995}
WEIGHT497
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS498
the atoms involved in each of the contacts you wish to calculate
=91,142
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=0.3444909453392029}
WEIGHT498
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS499
the atoms involved in each of the contacts you wish to calculate
=91,145
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=0.4853699803352356}
WEIGHT499
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS500
the atoms involved in each of the contacts you wish to calculate
=91,148
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=0.5442095398902893}
WEIGHT500
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS501
the atoms involved in each of the contacts you wish to calculate
=91,149
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=0.5354894995689392}
WEIGHT501
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS502
the atoms involved in each of the contacts you wish to calculate
=91,153
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=0.3910754919052124}
WEIGHT502
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS503
the atoms involved in each of the contacts you wish to calculate
=91,154
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=0.33784019947052}
WEIGHT503
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS504
the atoms involved in each of the contacts you wish to calculate
=91,155
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=0.5186598896980286}
WEIGHT504
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS505
the atoms involved in each of the contacts you wish to calculate
=91,177
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=0.5721023082733154}
WEIGHT505
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS506
the atoms involved in each of the contacts you wish to calculate
=91,179
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=0.5184381008148193}
WEIGHT506
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS507
the atoms involved in each of the contacts you wish to calculate
=91,181
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=0.5387411713600159}
WEIGHT507
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS508
the atoms involved in each of the contacts you wish to calculate
=91,183
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=0.4312250018119812}
WEIGHT508
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS509
the atoms involved in each of the contacts you wish to calculate
=91,186
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=0.5181476473808289}
WEIGHT509
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS510
the atoms involved in each of the contacts you wish to calculate
=91,188
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=0.5936750173568726}
WEIGHT510
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS511
the atoms involved in each of the contacts you wish to calculate
=91,198
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=0.5631349682807922}
WEIGHT511
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS512
the atoms involved in each of the contacts you wish to calculate
=92,183
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=0.5071044564247131}
WEIGHT512
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS513
the atoms involved in each of the contacts you wish to calculate
=92,186
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=0.5610605478286743}
WEIGHT513
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS514
the atoms involved in each of the contacts you wish to calculate
=92,188
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=0.5823555588722229}
WEIGHT514
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS515
the atoms involved in each of the contacts you wish to calculate
=92,198
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=0.5661880970001221}
WEIGHT515
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS516
the atoms involved in each of the contacts you wish to calculate
=92,202
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=0.5854007005691528}
WEIGHT516
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS517
the atoms involved in each of the contacts you wish to calculate
=94,179
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=0.5351158976554871}
WEIGHT517
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS518
the atoms involved in each of the contacts you wish to calculate
=94,181
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=0.5163419246673584}
WEIGHT518
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS519
the atoms involved in each of the contacts you wish to calculate
=94,183
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=0.42598122358322144}
WEIGHT519
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS520
the atoms involved in each of the contacts you wish to calculate
=94,186
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=0.48987141251564026}
WEIGHT520
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS521
the atoms involved in each of the contacts you wish to calculate
=94,188
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=0.4894006550312042}
WEIGHT521
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS522
the atoms involved in each of the contacts you wish to calculate
=94,196
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=0.5125748515129089}
WEIGHT522
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS523
the atoms involved in each of the contacts you wish to calculate
=94,198
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=0.42948105931282043}
WEIGHT523
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS524
the atoms involved in each of the contacts you wish to calculate
=94,200
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=0.47807326912879944}
WEIGHT524
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS525
the atoms involved in each of the contacts you wish to calculate
=94,202
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=0.4413716793060303}
WEIGHT525
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS526
the atoms involved in each of the contacts you wish to calculate
=94,205
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=0.5430681109428406}
WEIGHT526
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS527
the atoms involved in each of the contacts you wish to calculate
=96,183
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=0.5236687660217285}
WEIGHT527
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS528
the atoms involved in each of the contacts you wish to calculate
=96,186
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=0.5650017261505127}
WEIGHT528
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS529
the atoms involved in each of the contacts you wish to calculate
=96,188
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=0.5230010151863098}
WEIGHT529
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS530
the atoms involved in each of the contacts you wish to calculate
=96,196
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=0.5594658255577087}
WEIGHT530
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS531
the atoms involved in each of the contacts you wish to calculate
=96,198
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=0.4623623788356781}
WEIGHT531
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS532
the atoms involved in each of the contacts you wish to calculate
=96,200
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=0.4641217887401581}
WEIGHT532
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS533
the atoms involved in each of the contacts you wish to calculate
=96,202
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=0.40873703360557556}
WEIGHT533
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS534
the atoms involved in each of the contacts you wish to calculate
=96,205
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=0.4718325734138489}
WEIGHT534
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS535
the atoms involved in each of the contacts you wish to calculate
=96,208
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=0.5823202729225159}
WEIGHT535
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS536
the atoms involved in each of the contacts you wish to calculate
=96,209
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=0.5822962522506714}
WEIGHT536
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS537
the atoms involved in each of the contacts you wish to calculate
=99,183
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=0.5646246075630188}
WEIGHT537
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS538
the atoms involved in each of the contacts you wish to calculate
=99,186
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=0.5651061534881592}
WEIGHT538
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS539
the atoms involved in each of the contacts you wish to calculate
=99,188
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=0.5062114596366882}
WEIGHT539
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS540
the atoms involved in each of the contacts you wish to calculate
=99,198
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=0.5398267507553101}
WEIGHT540
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS541
the atoms involved in each of the contacts you wish to calculate
=99,200
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=0.5361371040344238}
WEIGHT541
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS542
the atoms involved in each of the contacts you wish to calculate
=99,202
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=0.5090559124946594}
WEIGHT542
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS543
the atoms involved in each of the contacts you wish to calculate
=99,205
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=0.555371880531311}
WEIGHT543
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS544
the atoms involved in each of the contacts you wish to calculate
=102,188
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=0.536859393119812}
WEIGHT544
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS545
the atoms involved in each of the contacts you wish to calculate
=102,198
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=0.5692564845085144}
WEIGHT545
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS546
the atoms involved in each of the contacts you wish to calculate
=102,200
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=0.5287466645240784}
WEIGHT546
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS547
the atoms involved in each of the contacts you wish to calculate
=102,202
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=0.503966212272644}
WEIGHT547
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS548
the atoms involved in each of the contacts you wish to calculate
=102,205
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=0.5120508074760437}
WEIGHT548
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS549
the atoms involved in each of the contacts you wish to calculate
=103,188
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=0.5168152451515198}
WEIGHT549
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS550
the atoms involved in each of the contacts you wish to calculate
=103,196
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=0.5852503776550293}
WEIGHT550
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS551
the atoms involved in each of the contacts you wish to calculate
=103,198
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=0.5004128217697144}
WEIGHT551
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS552
the atoms involved in each of the contacts you wish to calculate
=103,200
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=0.4348022937774658}
WEIGHT552
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS553
the atoms involved in each of the contacts you wish to calculate
=103,202
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=0.40895718336105347}
WEIGHT553
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS554
the atoms involved in each of the contacts you wish to calculate
=103,205
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=0.3999049961566925}
WEIGHT554
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS555
the atoms involved in each of the contacts you wish to calculate
=103,208
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=0.5354894995689392}
WEIGHT555
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS556
the atoms involved in each of the contacts you wish to calculate
=103,209
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=0.5923588275909424}
WEIGHT556
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS557
the atoms involved in each of the contacts you wish to calculate
=103,211
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=0.5546971559524536}
WEIGHT557
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS558
the atoms involved in each of the contacts you wish to calculate
=103,212
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=0.5707197785377502}
WEIGHT558
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS559
the atoms involved in each of the contacts you wish to calculate
=105,155
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=0.5657702684402466}
WEIGHT559
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS560
the atoms involved in each of the contacts you wish to calculate
=105,177
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=0.5732547044754028}
WEIGHT560
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS561
the atoms involved in each of the contacts you wish to calculate
=105,179
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=0.47292494773864746}
WEIGHT561
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS562
the atoms involved in each of the contacts you wish to calculate
=105,181
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=0.4930740296840668}
WEIGHT562
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS563
the atoms involved in each of the contacts you wish to calculate
=105,183
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=0.43830010294914246}
WEIGHT563
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS564
the atoms involved in each of the contacts you wish to calculate
=105,186
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=0.541247546672821}
WEIGHT564
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS565
the atoms involved in each of the contacts you wish to calculate
=105,188
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=0.5530008673667908}
WEIGHT565
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS566
the atoms involved in each of the contacts you wish to calculate
=105,196
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=0.4919085204601288}
WEIGHT566
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS567
the atoms involved in each of the contacts you wish to calculate
=105,198
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=0.3943715989589691}
WEIGHT567
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS568
the atoms involved in each of the contacts you wish to calculate
=105,200
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=0.4492760896682739}
WEIGHT568
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS569
the atoms involved in each of the contacts you wish to calculate
=105,202
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=0.3891400396823883}
WEIGHT569
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS570
the atoms involved in each of the contacts you wish to calculate
=105,205
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=0.5046542882919312}
WEIGHT570
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS571
the atoms involved in each of the contacts you wish to calculate
=105,208
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=0.5803937911987305}
WEIGHT571
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS572
the atoms involved in each of the contacts you wish to calculate
=105,209
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=0.5396155714988708}
WEIGHT572
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS573
the atoms involved in each of the contacts you wish to calculate
=105,211
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=0.5866079926490784}
WEIGHT573
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS574
the atoms involved in each of the contacts you wish to calculate
=105,2471
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=0.5868049263954163}
WEIGHT574
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS575
the atoms involved in each of the contacts you wish to calculate
=106,155
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=0.46240565180778503}
WEIGHT575
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS576
the atoms involved in each of the contacts you wish to calculate
=106,157
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=0.48263028264045715}
WEIGHT576
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS577
the atoms involved in each of the contacts you wish to calculate
=106,177
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=0.4555721580982208}
WEIGHT577
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS578
the atoms involved in each of the contacts you wish to calculate
=106,178
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=0.5556581616401672}
WEIGHT578
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS579
the atoms involved in each of the contacts you wish to calculate
=106,179
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=0.3552477955818176}
WEIGHT579
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS580
the atoms involved in each of the contacts you wish to calculate
=106,181
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=0.3925875723361969}
WEIGHT580
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS581
the atoms involved in each of the contacts you wish to calculate
=106,183
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=0.3631308376789093}
WEIGHT581
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS582
the atoms involved in each of the contacts you wish to calculate
=106,186
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=0.48804712295532227}
WEIGHT582
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS583
the atoms involved in each of the contacts you wish to calculate
=106,188
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=0.5128946900367737}
WEIGHT583
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS584
the atoms involved in each of the contacts you wish to calculate
=106,196
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=0.4024239182472229}
WEIGHT584
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS585
the atoms involved in each of the contacts you wish to calculate
=106,197
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=0.5217604041099548}
WEIGHT585
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS586
the atoms involved in each of the contacts you wish to calculate
=106,198
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=0.31405410170555115}
WEIGHT586
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS587
the atoms involved in each of the contacts you wish to calculate
=106,200
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=0.39586612582206726}
WEIGHT587
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS588
the atoms involved in each of the contacts you wish to calculate
=106,202
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=0.35996246337890625}
WEIGHT588
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS589
the atoms involved in each of the contacts you wish to calculate
=106,205
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=0.49732378125190735}
WEIGHT589
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS590
the atoms involved in each of the contacts you wish to calculate
=106,208
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=0.5688039660453796}
WEIGHT590
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS591
the atoms involved in each of the contacts you wish to calculate
=106,209
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=0.5285773277282715}
WEIGHT591
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS592
the atoms involved in each of the contacts you wish to calculate
=106,211
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=0.5201979875564575}
WEIGHT592
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS593
the atoms involved in each of the contacts you wish to calculate
=106,213
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=0.528100311756134}
WEIGHT593
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS594
the atoms involved in each of the contacts you wish to calculate
=107,179
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=0.5777343511581421}
WEIGHT594
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS595
the atoms involved in each of the contacts you wish to calculate
=107,183
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=0.5690922737121582}
WEIGHT595
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS596
the atoms involved in each of the contacts you wish to calculate
=107,198
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=0.4984676241874695}
WEIGHT596
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS597
the atoms involved in each of the contacts you wish to calculate
=107,200
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=0.5320056676864624}
WEIGHT597
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS598
the atoms involved in each of the contacts you wish to calculate
=107,202
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=0.4381996989250183}
WEIGHT598
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS599
the atoms involved in each of the contacts you wish to calculate
=107,205
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=0.5302801132202148}
WEIGHT599
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS600
the atoms involved in each of the contacts you wish to calculate
=107,208
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=0.5787796974182129}
WEIGHT600
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS601
the atoms involved in each of the contacts you wish to calculate
=107,209
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=0.5170106291770935}
WEIGHT601
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS602
the atoms involved in each of the contacts you wish to calculate
=107,2469
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=0.5004028081893921}
WEIGHT602
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS603
the atoms involved in each of the contacts you wish to calculate
=107,2471
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=0.4657520651817322}
WEIGHT603
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS604
the atoms involved in each of the contacts you wish to calculate
=107,2473
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=0.5739982724189758}
WEIGHT604
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS605
the atoms involved in each of the contacts you wish to calculate
=109,179
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=0.5900262594223022}
WEIGHT605
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS606
the atoms involved in each of the contacts you wish to calculate
=109,198
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=0.5403295159339905}
WEIGHT606
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS607
the atoms involved in each of the contacts you wish to calculate
=109,200
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=0.5721940398216248}
WEIGHT607
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS608
the atoms involved in each of the contacts you wish to calculate
=109,202
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=0.46596673130989075}
WEIGHT608
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS609
the atoms involved in each of the contacts you wish to calculate
=109,205
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=0.5547909140586853}
WEIGHT609
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS610
the atoms involved in each of the contacts you wish to calculate
=109,208
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=0.5673746466636658}
WEIGHT610
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS611
the atoms involved in each of the contacts you wish to calculate
=109,209
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=0.47988954186439514}
WEIGHT611
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS612
the atoms involved in each of the contacts you wish to calculate
=109,2406
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=0.596236526966095}
WEIGHT612
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS613
the atoms involved in each of the contacts you wish to calculate
=109,2469
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=0.47802191972732544}
WEIGHT613
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS614
the atoms involved in each of the contacts you wish to calculate
=109,2471
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=0.4249435067176819}
WEIGHT614
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS615
the atoms involved in each of the contacts you wish to calculate
=109,2473
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=0.5320018529891968}
WEIGHT615
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS616
the atoms involved in each of the contacts you wish to calculate
=111,202
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=0.5300914645195007}
WEIGHT616
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS617
the atoms involved in each of the contacts you wish to calculate
=111,205
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=0.5825143456459045}
WEIGHT617
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS618
the atoms involved in each of the contacts you wish to calculate
=111,208
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=0.5675861239433289}
WEIGHT618
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS619
the atoms involved in each of the contacts you wish to calculate
=111,209
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=0.46802347898483276}
WEIGHT619
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS620
the atoms involved in each of the contacts you wish to calculate
=111,2406
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=0.5658073425292969}
WEIGHT620
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS621
the atoms involved in each of the contacts you wish to calculate
=111,2443
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=0.5992286801338196}
WEIGHT621
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS622
the atoms involved in each of the contacts you wish to calculate
=111,2464
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=0.5983719825744629}
WEIGHT622
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS623
the atoms involved in each of the contacts you wish to calculate
=111,2467
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=0.5195016264915466}
WEIGHT623
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS624
the atoms involved in each of the contacts you wish to calculate
=111,2469
SWITCH624
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38300520181655884}
WEIGHT624
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS625
the atoms involved in each of the contacts you wish to calculate
=111,2471
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=0.3588802218437195}
WEIGHT625
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS626
the atoms involved in each of the contacts you wish to calculate
=111,2473
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=0.4841879904270172}
WEIGHT626
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS627
the atoms involved in each of the contacts you wish to calculate
=114,202
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=0.46239158511161804}
WEIGHT627
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS628
the atoms involved in each of the contacts you wish to calculate
=114,205
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=0.4791555106639862}
WEIGHT628
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS629
the atoms involved in each of the contacts you wish to calculate
=114,208
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=0.4540143311023712}
WEIGHT629
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS630
the atoms involved in each of the contacts you wish to calculate
=114,209
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=0.36229410767555237}
WEIGHT630
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS631
the atoms involved in each of the contacts you wish to calculate
=114,210
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=0.5587647557258606}
WEIGHT631
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS632
the atoms involved in each of the contacts you wish to calculate
=114,2467
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=0.5838877558708191}
WEIGHT632
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS633
the atoms involved in each of the contacts you wish to calculate
=114,2469
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=0.45812875032424927}
WEIGHT633
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS634
the atoms involved in each of the contacts you wish to calculate
=114,2471
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=0.472920686006546}
WEIGHT634
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS635
the atoms involved in each of the contacts you wish to calculate
=115,200
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=0.5682622790336609}
WEIGHT635
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS636
the atoms involved in each of the contacts you wish to calculate
=115,202
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=0.4189856946468353}
WEIGHT636
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS637
the atoms involved in each of the contacts you wish to calculate
=115,205
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=0.4202796518802643}
WEIGHT637
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS638
the atoms involved in each of the contacts you wish to calculate
=115,208
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=0.3627423346042633}
WEIGHT638
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS639
the atoms involved in each of the contacts you wish to calculate
=115,209
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=0.2564176321029663}
WEIGHT639
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS640
the atoms involved in each of the contacts you wish to calculate
=115,210
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=0.45987066626548767}
WEIGHT640
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS641
the atoms involved in each of the contacts you wish to calculate
=115,2469
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=0.5691229104995728}
WEIGHT641
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS642
the atoms involved in each of the contacts you wish to calculate
=115,2471
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=0.5773828625679016}
WEIGHT642
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS643
the atoms involved in each of the contacts you wish to calculate
=116,202
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=0.4980621933937073}
WEIGHT643
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS644
the atoms involved in each of the contacts you wish to calculate
=116,205
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=0.49504542350769043}
WEIGHT644
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS645
the atoms involved in each of the contacts you wish to calculate
=116,208
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=0.48830828070640564}
WEIGHT645
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS646
the atoms involved in each of the contacts you wish to calculate
=116,209
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=0.4205959439277649}
WEIGHT646
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS647
the atoms involved in each of the contacts you wish to calculate
=116,210
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=0.5873175859451294}
WEIGHT647
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS648
the atoms involved in each of the contacts you wish to calculate
=116,2467
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=0.5533831715583801}
WEIGHT648
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS649
the atoms involved in each of the contacts you wish to calculate
=116,2469
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=0.44171252846717834}
WEIGHT649
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS650
the atoms involved in each of the contacts you wish to calculate
=116,2471
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=0.48799794912338257}
WEIGHT650
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS651
the atoms involved in each of the contacts you wish to calculate
=117,179
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=0.5992237329483032}
WEIGHT651
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS652
the atoms involved in each of the contacts you wish to calculate
=117,202
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=0.5911928415298462}
WEIGHT652
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS653
the atoms involved in each of the contacts you wish to calculate
=117,2405
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=0.5600178241729736}
WEIGHT653
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS654
the atoms involved in each of the contacts you wish to calculate
=117,2406
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=0.48852837085723877}
WEIGHT654
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS655
the atoms involved in each of the contacts you wish to calculate
=117,2407
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=0.5545331239700317}
WEIGHT655
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS656
the atoms involved in each of the contacts you wish to calculate
=117,2464
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=0.599036693572998}
WEIGHT656
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS657
the atoms involved in each of the contacts you wish to calculate
=117,2469
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=0.48234525322914124}
WEIGHT657
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS658
the atoms involved in each of the contacts you wish to calculate
=117,2471
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=0.3893391489982605}
WEIGHT658
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS659
the atoms involved in each of the contacts you wish to calculate
=117,2473
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=0.4632968604564667}
WEIGHT659
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS660
the atoms involved in each of the contacts you wish to calculate
=118,179
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=0.5725215673446655}
WEIGHT660
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS661
the atoms involved in each of the contacts you wish to calculate
=118,2405
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=0.5134919881820679}
WEIGHT661
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS662
the atoms involved in each of the contacts you wish to calculate
=118,2406
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=0.4585128128528595}
WEIGHT662
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS663
the atoms involved in each of the contacts you wish to calculate
=118,2407
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=0.48357105255126953}
WEIGHT663
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS664
the atoms involved in each of the contacts you wish to calculate
=118,2469
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=0.5753198862075806}
WEIGHT664
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS665
the atoms involved in each of the contacts you wish to calculate
=118,2471
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=0.4712313711643219}
WEIGHT665
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS666
the atoms involved in each of the contacts you wish to calculate
=118,2473
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=0.5270275473594666}
WEIGHT666
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS667
the atoms involved in each of the contacts you wish to calculate
=119,2405
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=0.5429852604866028}
WEIGHT667
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS668
the atoms involved in each of the contacts you wish to calculate
=119,2406
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=0.4753367304801941}
WEIGHT668
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS669
the atoms involved in each of the contacts you wish to calculate
=119,2407
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=0.5533841252326965}
WEIGHT669
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS670
the atoms involved in each of the contacts you wish to calculate
=119,2461
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=0.5980861186981201}
WEIGHT670
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS671
the atoms involved in each of the contacts you wish to calculate
=119,2464
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=0.5031143426895142}
WEIGHT671
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS672
the atoms involved in each of the contacts you wish to calculate
=119,2465
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=0.5742420554161072}
WEIGHT672
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS673
the atoms involved in each of the contacts you wish to calculate
=119,2467
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=0.5405709743499756}
WEIGHT673
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS674
the atoms involved in each of the contacts you wish to calculate
=119,2469
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=0.42132169008255005}
WEIGHT674
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS675
the atoms involved in each of the contacts you wish to calculate
=119,2471
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=0.31658488512039185}
WEIGHT675
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS676
the atoms involved in each of the contacts you wish to calculate
=119,2473
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=0.37147951126098633}
WEIGHT676
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS677
the atoms involved in each of the contacts you wish to calculate
=121,2402
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=0.5677719712257385}
WEIGHT677
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS678
the atoms involved in each of the contacts you wish to calculate
=121,2405
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=0.4641648232936859}
WEIGHT678
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS679
the atoms involved in each of the contacts you wish to calculate
=121,2406
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=0.42397287487983704}
WEIGHT679
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS680
the atoms involved in each of the contacts you wish to calculate
=121,2407
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=0.4678739607334137}
WEIGHT680
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS681
the atoms involved in each of the contacts you wish to calculate
=121,2461
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=0.5424177646636963}
WEIGHT681
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS682
the atoms involved in each of the contacts you wish to calculate
=121,2464
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=0.48143327236175537}
WEIGHT682
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS683
the atoms involved in each of the contacts you wish to calculate
=121,2465
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=0.5813415050506592}
WEIGHT683
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS684
the atoms involved in each of the contacts you wish to calculate
=121,2467
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=0.5821623206138611}
WEIGHT684
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS685
the atoms involved in each of the contacts you wish to calculate
=121,2469
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=0.48360514640808105}
WEIGHT685
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS686
the atoms involved in each of the contacts you wish to calculate
=121,2471
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=0.35693132877349854}
WEIGHT686
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS687
the atoms involved in each of the contacts you wish to calculate
=121,2473
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=0.35541102290153503}
WEIGHT687
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS688
the atoms involved in each of the contacts you wish to calculate
=123,661
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=0.583627462387085}
WEIGHT688
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS689
the atoms involved in each of the contacts you wish to calculate
=123,663
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=0.5668306350708008}
WEIGHT689
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS690
the atoms involved in each of the contacts you wish to calculate
=123,2405
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=0.5454767942428589}
WEIGHT690
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS691
the atoms involved in each of the contacts you wish to calculate
=123,2406
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=0.5120947360992432}
WEIGHT691
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS692
the atoms involved in each of the contacts you wish to calculate
=123,2407
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=0.5656270980834961}
WEIGHT692
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS693
the atoms involved in each of the contacts you wish to calculate
=123,2461
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=0.4811849892139435}
WEIGHT693
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS694
the atoms involved in each of the contacts you wish to calculate
=123,2464
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=0.43787670135498047}
WEIGHT694
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS695
the atoms involved in each of the contacts you wish to calculate
=123,2465
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=0.5374699831008911}
WEIGHT695
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS696
the atoms involved in each of the contacts you wish to calculate
=123,2467
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=0.5571364164352417}
WEIGHT696
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS697
the atoms involved in each of the contacts you wish to calculate
=123,2469
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=0.4847225546836853}
WEIGHT697
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS698
the atoms involved in each of the contacts you wish to calculate
=123,2471
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=0.3708287477493286}
WEIGHT698
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS699
the atoms involved in each of the contacts you wish to calculate
=123,2473
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=0.34039536118507385}
WEIGHT699
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS700
the atoms involved in each of the contacts you wish to calculate
=123,2559
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=0.56861412525177}
WEIGHT700
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS701
the atoms involved in each of the contacts you wish to calculate
=123,2611
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=0.5767199993133545}
WEIGHT701
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS702
the atoms involved in each of the contacts you wish to calculate
=126,661
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=0.47467565536499023}
WEIGHT702
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS703
the atoms involved in each of the contacts you wish to calculate
=126,663
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=0.4504053592681885}
WEIGHT703
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS704
the atoms involved in each of the contacts you wish to calculate
=126,665
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=0.5681434273719788}
WEIGHT704
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS705
the atoms involved in each of the contacts you wish to calculate
=126,666
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=0.598112940788269}
WEIGHT705
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS706
the atoms involved in each of the contacts you wish to calculate
=126,706
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=0.5607174038887024}
WEIGHT706
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS707
the atoms involved in each of the contacts you wish to calculate
=126,2402
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=0.585034191608429}
WEIGHT707
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS708
the atoms involved in each of the contacts you wish to calculate
=126,2405
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=0.5412956476211548}
WEIGHT708
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS709
the atoms involved in each of the contacts you wish to calculate
=126,2406
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=0.5400379300117493}
WEIGHT709
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS710
the atoms involved in each of the contacts you wish to calculate
=126,2407
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=0.5547774434089661}
WEIGHT710
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS711
the atoms involved in each of the contacts you wish to calculate
=126,2461
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=0.4800718426704407}
WEIGHT711
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS712
the atoms involved in each of the contacts you wish to calculate
=126,2464
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=0.48484012484550476}
WEIGHT712
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS713
the atoms involved in each of the contacts you wish to calculate
=126,2471
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=0.48280009627342224}
WEIGHT713
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS714
the atoms involved in each of the contacts you wish to calculate
=126,2473
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=0.4129951298236847}
WEIGHT714
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS715
the atoms involved in each of the contacts you wish to calculate
=126,2559
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=0.46313712000846863}
WEIGHT715
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS716
the atoms involved in each of the contacts you wish to calculate
=126,2607
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=0.5917879939079285}
WEIGHT716
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS717
the atoms involved in each of the contacts you wish to calculate
=126,2611
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=0.5339606404304504}
WEIGHT717
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS718
the atoms involved in each of the contacts you wish to calculate
=128,655
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=0.5369115471839905}
WEIGHT718
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS719
the atoms involved in each of the contacts you wish to calculate
=128,657
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=0.5385369062423706}
WEIGHT719
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS720
the atoms involved in each of the contacts you wish to calculate
=128,660
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=0.48818641901016235}
WEIGHT720
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS721
the atoms involved in each of the contacts you wish to calculate
=128,661
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=0.36455586552619934}
WEIGHT721
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS722
the atoms involved in each of the contacts you wish to calculate
=128,663
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=0.3804852366447449}
WEIGHT722
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS723
the atoms involved in each of the contacts you wish to calculate
=128,665
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=0.5121044516563416}
WEIGHT723
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS724
the atoms involved in each of the contacts you wish to calculate
=128,666
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=0.5754189491271973}
WEIGHT724
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS725
the atoms involved in each of the contacts you wish to calculate
=128,670
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=0.5958170890808105}
WEIGHT725
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS726
the atoms involved in each of the contacts you wish to calculate
=128,704
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=0.5308210849761963}
WEIGHT726
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS727
the atoms involved in each of the contacts you wish to calculate
=128,706
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=0.5229990482330322}
WEIGHT727
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS728
the atoms involved in each of the contacts you wish to calculate
=128,710
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=0.5271403789520264}
WEIGHT728
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS729
the atoms involved in each of the contacts you wish to calculate
=128,2473
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=0.5575060248374939}
WEIGHT729
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS730
the atoms involved in each of the contacts you wish to calculate
=128,2559
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=0.556650698184967}
WEIGHT730
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS731
the atoms involved in each of the contacts you wish to calculate
=132,661
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=0.5624464154243469}
WEIGHT731
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS732
the atoms involved in each of the contacts you wish to calculate
=132,663
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=0.5361809134483337}
WEIGHT732
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS733
the atoms involved in each of the contacts you wish to calculate
=132,704
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=0.5597624778747559}
WEIGHT733
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS734
the atoms involved in each of the contacts you wish to calculate
=132,706
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=0.4905802607536316}
WEIGHT734
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS735
the atoms involved in each of the contacts you wish to calculate
=132,710
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=0.5510008931159973}
WEIGHT735
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS736
the atoms involved in each of the contacts you wish to calculate
=132,2392
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=0.5810627937316895}
WEIGHT736
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS737
the atoms involved in each of the contacts you wish to calculate
=132,2396
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=0.5445163249969482}
WEIGHT737
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS738
the atoms involved in each of the contacts you wish to calculate
=132,2397
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=0.4936162829399109}
WEIGHT738
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS739
the atoms involved in each of the contacts you wish to calculate
=132,2398
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=0.5803240537643433}
WEIGHT739
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS740
the atoms involved in each of the contacts you wish to calculate
=132,2400
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=0.5698674917221069}
WEIGHT740
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS741
the atoms involved in each of the contacts you wish to calculate
=132,2402
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=0.4398067891597748}
WEIGHT741
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS742
the atoms involved in each of the contacts you wish to calculate
=132,2405
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=0.41261357069015503}
WEIGHT742
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS743
the atoms involved in each of the contacts you wish to calculate
=132,2406
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=0.43200233578681946}
WEIGHT743
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS744
the atoms involved in each of the contacts you wish to calculate
=132,2407
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=0.4327274560928345}
WEIGHT744
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS745
the atoms involved in each of the contacts you wish to calculate
=132,2457
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=0.5700262784957886}
WEIGHT745
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS746
the atoms involved in each of the contacts you wish to calculate
=132,2459
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=0.5530361533164978}
WEIGHT746
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS747
the atoms involved in each of the contacts you wish to calculate
=132,2461
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=0.433815598487854}
WEIGHT747
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS748
the atoms involved in each of the contacts you wish to calculate
=132,2464
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=0.4616870880126953}
WEIGHT748
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS749
the atoms involved in each of the contacts you wish to calculate
=132,2465
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=0.5949192643165588}
WEIGHT749
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS750
the atoms involved in each of the contacts you wish to calculate
=132,2471
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=0.4860956072807312}
WEIGHT750
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS751
the atoms involved in each of the contacts you wish to calculate
=132,2473
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=0.3930674195289612}
WEIGHT751
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS752
the atoms involved in each of the contacts you wish to calculate
=132,2475
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=0.5837576985359192}
WEIGHT752
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS753
the atoms involved in each of the contacts you wish to calculate
=132,2476
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=0.5831552147865295}
WEIGHT753
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS754
the atoms involved in each of the contacts you wish to calculate
=132,2553
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=0.5572898983955383}
WEIGHT754
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS755
the atoms involved in each of the contacts you wish to calculate
=132,2555
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=0.5858139395713806}
WEIGHT755
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS756
the atoms involved in each of the contacts you wish to calculate
=132,2559
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=0.4155297577381134}
WEIGHT756
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS757
the atoms involved in each of the contacts you wish to calculate
=136,2405
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=0.5009769797325134}
WEIGHT757
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS758
the atoms involved in each of the contacts you wish to calculate
=136,2406
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=0.49009591341018677}
WEIGHT758
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS759
the atoms involved in each of the contacts you wish to calculate
=136,2407
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=0.4630172550678253}
WEIGHT759
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS760
the atoms involved in each of the contacts you wish to calculate
=136,2471
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=0.5069782733917236}
WEIGHT760
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS761
the atoms involved in each of the contacts you wish to calculate
=136,2473
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=0.5023922920227051}
WEIGHT761
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS762
the atoms involved in each of the contacts you wish to calculate
=137,710
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=0.5412217378616333}
WEIGHT762
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS763
the atoms involved in each of the contacts you wish to calculate
=137,2397
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=0.4977770745754242}
WEIGHT763
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS764
the atoms involved in each of the contacts you wish to calculate
=137,2402
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=0.5532748699188232}
WEIGHT764
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS765
the atoms involved in each of the contacts you wish to calculate
=137,2405
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=0.45633432269096375}
WEIGHT765
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS766
the atoms involved in each of the contacts you wish to calculate
=137,2406
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=0.47615230083465576}
WEIGHT766
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS767
the atoms involved in each of the contacts you wish to calculate
=137,2407
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=0.39793720841407776}
WEIGHT767
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS768
the atoms involved in each of the contacts you wish to calculate
=137,2471
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=0.580668568611145}
WEIGHT768
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS769
the atoms involved in each of the contacts you wish to calculate
=137,2473
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=0.5525912046432495}
WEIGHT769
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS770
the atoms involved in each of the contacts you wish to calculate
=138,2407
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=0.5729153752326965}
WEIGHT770
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS771
the atoms involved in each of the contacts you wish to calculate
=138,2471
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=0.5755744576454163}
WEIGHT771
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS772
the atoms involved in each of the contacts you wish to calculate
=138,2473
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=0.5954519510269165}
WEIGHT772
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS773
the atoms involved in each of the contacts you wish to calculate
=140,635
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=0.5966464877128601}
WEIGHT773
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS774
the atoms involved in each of the contacts you wish to calculate
=140,638
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=0.514513373374939}
WEIGHT774
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS775
the atoms involved in each of the contacts you wish to calculate
=142,593
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=0.5753486156463623}
WEIGHT775
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS776
the atoms involved in each of the contacts you wish to calculate
=142,600
SWITCH776
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5595864653587341}
WEIGHT776
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS777
the atoms involved in each of the contacts you wish to calculate
=142,635
SWITCH777
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.504235029220581}
WEIGHT777
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS778
the atoms involved in each of the contacts you wish to calculate
=142,638
SWITCH778
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4558749496936798}
WEIGHT778
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS779
the atoms involved in each of the contacts you wish to calculate
=142,641
SWITCH779
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5888454914093018}
WEIGHT779
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS780
the atoms involved in each of the contacts you wish to calculate
=142,651
SWITCH780
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5784652233123779}
WEIGHT780
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS781
the atoms involved in each of the contacts you wish to calculate
=142,653
SWITCH781
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432862639427185}
WEIGHT781
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS782
the atoms involved in each of the contacts you wish to calculate
=142,655
SWITCH782
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5629262924194336}
WEIGHT782
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS783
the atoms involved in each of the contacts you wish to calculate
=142,657
SWITCH783
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5726604461669922}
WEIGHT783
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS784
the atoms involved in each of the contacts you wish to calculate
=142,661
SWITCH784
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5716458559036255}
WEIGHT784
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS785
the atoms involved in each of the contacts you wish to calculate
=145,589
SWITCH785
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5833532214164734}
WEIGHT785
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS786
the atoms involved in each of the contacts you wish to calculate
=145,593
SWITCH786
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5673359036445618}
WEIGHT786
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS787
the atoms involved in each of the contacts you wish to calculate
=145,599
SWITCH787
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5773118734359741}
WEIGHT787
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS788
the atoms involved in each of the contacts you wish to calculate
=145,600
SWITCH788
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4823722839355469}
WEIGHT788
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS789
the atoms involved in each of the contacts you wish to calculate
=145,631
SWITCH789
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5606371164321899}
WEIGHT789
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS790
the atoms involved in each of the contacts you wish to calculate
=145,633
SWITCH790
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.473744660615921}
WEIGHT790
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS791
the atoms involved in each of the contacts you wish to calculate
=145,635
SWITCH791
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3561699092388153}
WEIGHT791
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS792
the atoms involved in each of the contacts you wish to calculate
=145,638
SWITCH792
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.31291210651397705}
WEIGHT792
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS793
the atoms involved in each of the contacts you wish to calculate
=145,641
SWITCH793
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4513324201107025}
WEIGHT793
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS794
the atoms involved in each of the contacts you wish to calculate
=145,644
SWITCH794
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181524753570557}
WEIGHT794
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS795
the atoms involved in each of the contacts you wish to calculate
=145,651
SWITCH795
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4631156027317047}
WEIGHT795
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS796
the atoms involved in each of the contacts you wish to calculate
=145,652
SWITCH796
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5169845819473267}
WEIGHT796
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS797
the atoms involved in each of the contacts you wish to calculate
=145,653
SWITCH797
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44771644473075867}
WEIGHT797
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS798
the atoms involved in each of the contacts you wish to calculate
=145,655
SWITCH798
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5014837980270386}
WEIGHT798
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS799
the atoms involved in each of the contacts you wish to calculate
=145,657
SWITCH799
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5366581678390503}
WEIGHT799
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS800
the atoms involved in each of the contacts you wish to calculate
=145,661
SWITCH800
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.591547966003418}
WEIGHT800
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS801
the atoms involved in each of the contacts you wish to calculate
=148,586
SWITCH801
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5851478576660156}
WEIGHT801
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS802
the atoms involved in each of the contacts you wish to calculate
=148,589
SWITCH802
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5266127586364746}
WEIGHT802
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS803
the atoms involved in each of the contacts you wish to calculate
=148,591
SWITCH803
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5845117568969727}
WEIGHT803
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS804
the atoms involved in each of the contacts you wish to calculate
=148,593
SWITCH804
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5489025115966797}
WEIGHT804
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS805
the atoms involved in each of the contacts you wish to calculate
=148,597
SWITCH805
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5936741232872009}
WEIGHT805
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS806
the atoms involved in each of the contacts you wish to calculate
=148,599
SWITCH806
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5638980269432068}
WEIGHT806
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS807
the atoms involved in each of the contacts you wish to calculate
=148,600
SWITCH807
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.498263955116272}
WEIGHT807
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS808
the atoms involved in each of the contacts you wish to calculate
=148,631
SWITCH808
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5708502531051636}
WEIGHT808
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS809
the atoms involved in each of the contacts you wish to calculate
=148,633
SWITCH809
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5090245604515076}
WEIGHT809
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS810
the atoms involved in each of the contacts you wish to calculate
=148,635
SWITCH810
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3640727698802948}
WEIGHT810
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS811
the atoms involved in each of the contacts you wish to calculate
=148,638
SWITCH811
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3496197760105133}
WEIGHT811
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS812
the atoms involved in each of the contacts you wish to calculate
=148,641
SWITCH812
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46827876567840576}
WEIGHT812
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS813
the atoms involved in each of the contacts you wish to calculate
=148,644
SWITCH813
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5739599466323853}
WEIGHT813
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS814
the atoms involved in each of the contacts you wish to calculate
=148,651
SWITCH814
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.548649251461029}
WEIGHT814
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS815
the atoms involved in each of the contacts you wish to calculate
=148,653
SWITCH815
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5425181984901428}
WEIGHT815
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS816
the atoms involved in each of the contacts you wish to calculate
=149,531
SWITCH816
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5139853954315186}
WEIGHT816
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS817
the atoms involved in each of the contacts you wish to calculate
=149,585
SWITCH817
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5138764381408691}
WEIGHT817
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS818
the atoms involved in each of the contacts you wish to calculate
=149,586
SWITCH818
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4839121997356415}
WEIGHT818
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS819
the atoms involved in each of the contacts you wish to calculate
=149,587
SWITCH819
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4685584306716919}
WEIGHT819
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS820
the atoms involved in each of the contacts you wish to calculate
=149,589
SWITCH820
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3639972507953644}
WEIGHT820
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS821
the atoms involved in each of the contacts you wish to calculate
=149,591
SWITCH821
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40668785572052}
WEIGHT821
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS822
the atoms involved in each of the contacts you wish to calculate
=149,593
SWITCH822
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37818124890327454}
WEIGHT822
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS823
the atoms involved in each of the contacts you wish to calculate
=149,597
SWITCH823
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4173128306865692}
WEIGHT823
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS824
the atoms involved in each of the contacts you wish to calculate
=149,599
SWITCH824
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4217131733894348}
WEIGHT824
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS825
the atoms involved in each of the contacts you wish to calculate
=149,600
SWITCH825
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38097506761550903}
WEIGHT825
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS826
the atoms involved in each of the contacts you wish to calculate
=149,601
SWITCH826
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5538934469223022}
WEIGHT826
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS827
the atoms involved in each of the contacts you wish to calculate
=149,631
SWITCH827
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5531103610992432}
WEIGHT827
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS828
the atoms involved in each of the contacts you wish to calculate
=149,633
SWITCH828
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.533577561378479}
WEIGHT828
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS829
the atoms involved in each of the contacts you wish to calculate
=149,635
SWITCH829
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41118124127388}
WEIGHT829
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS830
the atoms involved in each of the contacts you wish to calculate
=149,638
SWITCH830
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45584315061569214}
WEIGHT830
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS831
the atoms involved in each of the contacts you wish to calculate
=149,641
SWITCH831
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5872954726219177}
WEIGHT831
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS832
the atoms involved in each of the contacts you wish to calculate
=149,651
SWITCH832
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5711576342582703}
WEIGHT832
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS833
the atoms involved in each of the contacts you wish to calculate
=149,653
SWITCH833
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5299537777900696}
WEIGHT833
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS834
the atoms involved in each of the contacts you wish to calculate
=153,638
SWITCH834
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5644378066062927}
WEIGHT834
A weight value for a given contact, by default is 1
=0.0011976047904191617
ATOMS835
the atoms involved in each of the contacts you wish to calculate
=154,213
SWITCH835
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5944316387176514}
WEIGHT835
A weight value for a given contact, by default is 1
=0.0011976047904191617
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
=73,589
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=0.8583630323410034}
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
=73,591
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=0.78587406873703}
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
=73,593
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=0.6383212208747864}
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
=73,597
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=0.8167759776115417}
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
=73,655
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=0.8182469010353088}
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
=73,657
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=0.7383589744567871}
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
=73,660
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=0.695883572101593}
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
=73,661
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=0.6310158371925354}
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
=73,663
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=0.6347385048866272}
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
=73,665
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=0.7010770440101624}
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
=73,666
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=0.7429704070091248}
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
=73,668
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=0.7599328756332397}
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
=73,670
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=0.7565619945526123}
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
=73,2603
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=0.7390270829200745}
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
=73,2605
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=0.6524736881256104}
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
=73,2607
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=0.5406893491744995}
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
=73,2611
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=0.6260606646537781}
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
=73,2650
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=0.9414849877357483}
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
=73,2652
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=0.8192837834358215}
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
=73,2655
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=0.8744701147079468}
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
=73,2658
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=0.9776241779327393}
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
=73,2659
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=1.090904712677002}
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
=73,2660
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=0.9545978307723999}
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
=73,2667
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=0.954234778881073}
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
=73,2669
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=0.9673064947128296}
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
=73,2672
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=0.8627659678459167}
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
=73,2675
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=0.8941107392311096}
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
=73,2678
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=0.7938815951347351}
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
=73,2680
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=0.8136012554168701}
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
=73,2681
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=0.9231305718421936}
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
=73,2684
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=0.746406078338623}
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
=75,589
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=0.7799500226974487}
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
=75,591
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=0.6888490915298462}
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
=75,593
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=0.5409870743751526}
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
=75,597
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=0.7219820618629456}
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
=75,655
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=0.8145925402641296}
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
=75,657
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=0.7125959396362305}
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
=75,660
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=0.6762683987617493}
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
=75,661
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=0.6399641036987305}
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
=75,663
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=0.6513263583183289}
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
=75,665
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=0.6956766843795776}
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
=75,666
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=0.7442620396614075}
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
=75,668
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=0.7290987968444824}
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
=75,670
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=0.7189861536026001}
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
=75,2603
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=0.733450710773468}
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
=75,2605
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=0.6598825454711914}
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
=75,2607
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=0.5272703766822815}
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
=75,2611
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=0.6685484051704407}
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
=75,2650
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=0.8497217297554016}
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
=75,2652
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=0.7347999215126038}
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
=75,2655
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=0.8019307851791382}
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
=75,2658
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=0.9192942976951599}
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
=75,2659
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=1.0309336185455322}
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
=75,2660
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=0.9103812575340271}
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
=75,2667
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=0.8321952819824219}
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
=75,2669
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=0.8536984920501709}
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
=75,2672
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=0.7501974105834961}
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
=75,2675
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=0.7690104246139526}
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
=75,2678
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=0.6680127382278442}
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
=75,2680
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=0.6796219944953918}
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
=75,2681
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=0.7823382019996643}
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
=75,2684
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=0.6172786951065063}
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
=78,589
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=0.7669348120689392}
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
=78,591
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=0.6807085275650024}
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
=78,593
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=0.5321522355079651}
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
=78,597
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=0.7402493357658386}
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
=78,655
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=0.7467784285545349}
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
=78,657
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=0.6290214657783508}
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
=78,660
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=0.5743744373321533}
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
=78,661
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=0.5494751930236816}
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
=78,663
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=0.5500572919845581}
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
=78,665
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=0.5729930400848389}
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
=78,666
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=0.6199555993080139}
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
=78,668
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=0.5964378118515015}
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
=78,670
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=0.5960972905158997}
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
=78,2603
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=0.6297467947006226}
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
=78,2605
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=0.5534022450447083}
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
=78,2607
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=0.4091589152812958}
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
=78,2611
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=0.5891977548599243}
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
=78,2650
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=0.7597249746322632}
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
=78,2652
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=0.6619017720222473}
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
=78,2655
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=0.7524254322052002}
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
=78,2658
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=0.8645558953285217}
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
=78,2659
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=0.9808674454689026}
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
=78,2660
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=0.8468418121337891}
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
=78,2667
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=0.7113831639289856}
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
=78,2669
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=0.717910885810852}
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
=78,2672
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=0.6095744371414185}
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
=78,2675
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=0.6384685039520264}
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
=78,2678
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=0.5441011190414429}
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
=78,2680
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=0.5764555931091309}
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
=78,2681
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=0.6877208948135376}
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
=78,2684
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=0.5304809212684631}
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
=79,589
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=0.7421623468399048}
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
=79,591
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=0.6806732416152954}
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
=79,593
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=0.5337883830070496}
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
=79,597
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=0.7596585154533386}
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
=79,655
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=0.6239150762557983}
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
=79,657
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=0.5099999904632568}
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
=79,660
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=0.44384005665779114}
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
=79,661
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=0.411265105009079}
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
=79,663
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=0.4145781099796295}
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
=79,665
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=0.44745615124702454}
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
=79,666
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=0.5085675716400146}
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
=79,668
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=0.4770597815513611}
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
=79,670
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=0.4742699861526489}
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
=79,2603
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=0.6067990064620972}
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
=79,2605
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=0.5030527114868164}
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
=79,2607
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=0.36100277304649353}
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
=79,2611
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=0.537484884262085}
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
=79,2650
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=0.8225119709968567}
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
=79,2652
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=0.7388328909873962}
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
=79,2655
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=0.8406283855438232}
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
=79,2658
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=0.940294086933136}
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
=79,2659
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=1.0604174137115479}
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
=79,2660
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=0.9066317081451416}
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
=79,2667
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=0.7452744841575623}
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
=79,2669
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=0.7229412198066711}
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
=79,2672
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=0.6003840565681458}
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
=79,2675
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=0.6337081789970398}
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
=79,2678
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=0.5346755981445312}
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
=79,2680
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=0.57950758934021}
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
=79,2681
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=0.7037044763565063}
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
=79,2684
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=0.5288572311401367}
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
=81,589
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=0.7684503793716431}
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
=81,591
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=0.7151063084602356}
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
=81,593
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=0.5786786675453186}
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
=81,597
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=0.812201976776123}
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
=81,655
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=0.5928802490234375}
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
=81,657
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=0.4654642641544342}
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
=81,660
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=0.37397992610931396}
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
=81,661
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=0.3611011207103729}
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
=81,663
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=0.34724918007850647}
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
=81,665
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=0.34329870343208313}
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
=81,666
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=0.4047394096851349}
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
=81,668
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=0.35563042759895325}
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
=81,670
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=0.36953622102737427}
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
=81,2603
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=0.5475637316703796}
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
=81,2605
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=0.4423268139362335}
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
=81,2607
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=0.2993426024913788}
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
=81,2611
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=0.5084987878799438}
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
=81,2650
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=0.7774658203125}
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
=81,2652
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=0.716397225856781}
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
=81,2655
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=0.8348515033721924}
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
=81,2658
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=0.9251194596290588}
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
=81,2659
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=1.0456892251968384}
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
=81,2660
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=0.8837454319000244}
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
=81,2667
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=0.66670161485672}
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
=81,2669
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=0.6221165657043457}
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
=81,2672
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=0.49500909447669983}
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
=81,2675
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=0.5409741401672363}
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
=81,2678
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=0.4555644989013672}
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
=81,2680
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=0.5254369974136353}
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
=81,2681
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=0.6531163454055786}
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
=81,2684
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=0.49728161096572876}
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
=83,589
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=0.8155428171157837}
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
=83,591
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=0.7462553977966309}
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
=83,593
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=0.6172819137573242}
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
=83,597
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=0.843043327331543}
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
=83,655
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=0.6937125325202942}
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
=83,657
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=0.5544375777244568}
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
=83,660
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=0.46308204531669617}
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
=83,661
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=0.4733096659183502}
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
=83,663
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=0.4469250440597534}
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
=83,665
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=0.4034154415130615}
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
=83,666
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=0.4404633641242981}
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
=83,668
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=0.3897114396095276}
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
=83,670
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=0.42044857144355774}
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
=83,2603
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=0.5093761086463928}
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
=83,2605
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=0.4374139904975891}
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
=83,2607
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=0.29243460297584534}
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
=83,2611
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=0.5360270142555237}
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
=83,2650
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=0.6559306383132935}
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
=83,2652
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=0.6089277267456055}
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
=83,2655
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=0.7383474707603455}
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
=83,2658
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=0.8302818536758423}
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
=83,2659
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=0.947830080986023}
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
=83,2660
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=0.7962938547134399}
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
=83,2667
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=0.5291739106178284}
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
=83,2669
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=0.4898703694343567}
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
=83,2672
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=0.37011080980300903}
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
=83,2675
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=0.4307609498500824}
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
=83,2678
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=0.36832186579704285}
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
=83,2680
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=0.45705360174179077}
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
=83,2681
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=0.5753790140151978}
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
=83,2684
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=0.4617304503917694}
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
=84,589
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=0.8727961182594299}
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
=84,591
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=0.8135785460472107}
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
=84,593
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=0.6985183954238892}
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
=84,597
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=0.9220981597900391}
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
=84,655
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=0.7074079513549805}
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
=84,657
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=0.5664891600608826}
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
=84,660
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=0.4628865718841553}
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
=84,661
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=0.4921676516532898}
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
=84,663
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=0.4532119035720825}
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
=84,665
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=0.3705846667289734}
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
=84,666
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=0.39513665437698364}
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
=84,668
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=0.328198105096817}
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
=84,670
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=0.3812532126903534}
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
=84,2603
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=0.4980331361293793}
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
=84,2605
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=0.4368912875652313}
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
=84,2607
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=0.3189874589443207}
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
=84,2611
SWITCH203
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5603195428848267}
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
=84,2650
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=0.644301176071167}
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
=84,2652
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=0.6285666227340698}
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
=84,2655
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=0.7696947455406189}
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
=84,2658
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=0.8473564982414246}
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
=84,2659
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=0.9614130258560181}
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
=84,2660
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=0.8062635660171509}
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
=84,2667
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=0.47543033957481384}
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
=84,2669
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=0.401634156703949}
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
=84,2672
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=0.28019100427627563}
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
=84,2675
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=0.3654777705669403}
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
=84,2678
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=0.3380443751811981}
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
=84,2680
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=0.45398786664009094}
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
=84,2681
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=0.5651317834854126}
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
=84,2684
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=0.48759204149246216}
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
=86,589
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=0.8385522961616516}
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
=86,591
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=0.7467001080513}
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
=86,593
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=0.6163919568061829}
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
=86,597
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=0.826381266117096}
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
=86,655
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=0.8057698011398315}
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
=86,657
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=0.6649819612503052}
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
=86,660
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=0.5883969664573669}
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
=86,661
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=0.5967662930488586}
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
=86,663
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=0.5739424824714661}
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
=86,665
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=0.5375928282737732}
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
=86,666
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=0.5634943842887878}
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
=86,668
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=0.5269772410392761}
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
=86,670
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=0.5524536371231079}
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
=86,2603
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=0.5344286561012268}
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
=86,2605
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=0.4927119016647339}
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
=86,2607
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=0.3480890691280365}
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
=86,2611
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=0.5869965553283691}
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
=86,2650
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=0.5724080801010132}
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
=86,2652
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=0.5106260776519775}
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
=86,2655
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=0.6345872282981873}
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
=86,2658
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=0.7418018579483032}
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
=86,2659
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=0.8563503623008728}
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
=86,2660
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=0.7257727384567261}
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
=86,2667
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=0.47621527314186096}
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
=86,2669
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=0.4780386984348297}
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
=86,2672
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=0.3802052140235901}
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
=86,2675
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=0.4338213801383972}
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
=86,2678
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=0.3784719407558441}
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
=86,2680
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=0.45073941349983215}
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
=86,2681
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=0.5534012913703918}
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
=86,2684
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=0.4620140492916107}
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
=88,589
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=0.8140037059783936}
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
=88,591
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=0.7135131359100342}
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
=88,593
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=0.5740914940834045}
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
=88,597
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=0.7746263742446899}
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
=88,655
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=0.8275657296180725}
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
=88,657
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=0.6957046985626221}
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
=88,660
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=0.6339061856269836}
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
=88,661
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=0.6270454525947571}
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
=88,663
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=0.6157353520393372}
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
=88,665
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=0.6083617210388184}
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
=88,666
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=0.6412550210952759}
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
=88,668
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=0.6146047711372375}
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
=88,670
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=0.6264032125473022}
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
=88,2603
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=0.5949587821960449}
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
=88,2605
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=0.5474623441696167}
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
=88,2607
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=0.40191787481307983}
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
=88,2611
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=0.6116346716880798}
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
=88,2650
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=0.6337483525276184}
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
=88,2652
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=0.5432062149047852}
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
=88,2655
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=0.6436777114868164}
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
=88,2658
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=0.7619710564613342}
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
=88,2659
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=0.8756517171859741}
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
=88,2660
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=0.7545726895332336}
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
=88,2667
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=0.5825092196464539}
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
=88,2669
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=0.60443115234375}
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
=88,2672
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=0.5106368660926819}
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
=88,2675
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=0.5458452105522156}
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
=88,2678
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=0.47124624252319336}
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
=88,2680
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=0.5132855176925659}
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
=88,2681
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=0.6130326390266418}
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
=88,2684
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=0.49608367681503296}
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
=-1.0648071765899658
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
=-0.5233257412910461
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
=-0.9334732890129089
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
=-0.7526757121086121
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
=-1.094430685043335
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
=-0.3964979946613312
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
=-1.1912622451782227
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
=-1.1033217906951904
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
=-0.8037984371185303
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
=-0.6409981846809387
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
=-0.961904764175415
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
=-1.0553141832351685
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
=-1.4251854419708252
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
=-0.7725961208343506
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
=-0.8170651793479919
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
=-0.47180330753326416
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_nmr_disp