Project ID: plumID:21.017
Source: plumed/md/cry_c36m.dat
Originally used with PLUMED version: 2.5
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes
tested onv2.8
tested onmaster
MOLINFO
This command is used to provide information on the molecules that are present in your system. More details
STRUCTURE
a file in pdb format containing a reference structure
=../topologies/cry_c36m.pdb prot:
GROUP
Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details
ATOMS
the numerical indexes for the set of atoms in the group
=1-3436
WHOLEMOLECULES
This action is used to rebuild molecules that can become split by the periodic boundary conditions. More details
ENTITY0
the atoms that make up a molecule that you wish to align
=prot
CONTACTMAP
Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details
...
ATOMS1
the atoms involved in each of the contacts you wish to calculate
=5,52
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=0.5610604286193848}
WEIGHT1
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS2
the atoms involved in each of the contacts you wish to calculate
=5,62
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=0.5481842160224915}
WEIGHT2
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS3
the atoms involved in each of the contacts you wish to calculate
=5,2614
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=0.5456867218017578}
WEIGHT3
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS4
the atoms involved in each of the contacts you wish to calculate
=7,52
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=0.5997282862663269}
WEIGHT4
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS5
the atoms involved in each of the contacts you wish to calculate
=7,62
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=0.5182827711105347}
WEIGHT5
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS6
the atoms involved in each of the contacts you wish to calculate
=7,65
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=0.5618842840194702}
WEIGHT6
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS7
the atoms involved in each of the contacts you wish to calculate
=7,2614
SWITCH7
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48425087332725525}
WEIGHT7
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS8
the atoms involved in each of the contacts you wish to calculate
=7,2615
SWITCH8
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5417128205299377}
WEIGHT8
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS9
the atoms involved in each of the contacts you wish to calculate
=10,62
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=0.5702253580093384}
WEIGHT9
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS10
the atoms involved in each of the contacts you wish to calculate
=10,2611
SWITCH10
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5790070295333862}
WEIGHT10
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS11
the atoms involved in each of the contacts you wish to calculate
=10,2614
SWITCH11
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40627458691596985}
WEIGHT11
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS12
the atoms involved in each of the contacts you wish to calculate
=10,2615
SWITCH12
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4314267039299011}
WEIGHT12
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS13
the atoms involved in each of the contacts you wish to calculate
=13,2611
SWITCH13
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5995940566062927}
WEIGHT13
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS14
the atoms involved in each of the contacts you wish to calculate
=13,2614
SWITCH14
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4261091947555542}
WEIGHT14
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS15
the atoms involved in each of the contacts you wish to calculate
=13,2615
SWITCH15
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3946555256843567}
WEIGHT15
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS16
the atoms involved in each of the contacts you wish to calculate
=14,62
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=0.5443353056907654}
WEIGHT16
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS17
the atoms involved in each of the contacts you wish to calculate
=14,65
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=0.536426842212677}
WEIGHT17
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS18
the atoms involved in each of the contacts you wish to calculate
=14,2546
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=0.5706994533538818}
WEIGHT18
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS19
the atoms involved in each of the contacts you wish to calculate
=14,2562
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=0.5421658158302307}
WEIGHT19
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS20
the atoms involved in each of the contacts you wish to calculate
=14,2614
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=0.42671898007392883}
WEIGHT20
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS21
the atoms involved in each of the contacts you wish to calculate
=14,2615
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=0.39910271763801575}
WEIGHT21
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS22
the atoms involved in each of the contacts you wish to calculate
=15,2614
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=0.4941588342189789}
WEIGHT22
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS23
the atoms involved in each of the contacts you wish to calculate
=15,2615
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=0.4235575497150421}
WEIGHT23
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS24
the atoms involved in each of the contacts you wish to calculate
=16,52
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=0.5171670913696289}
WEIGHT24
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS25
the atoms involved in each of the contacts you wish to calculate
=16,56
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=0.5684268474578857}
WEIGHT25
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS26
the atoms involved in each of the contacts you wish to calculate
=16,62
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=0.49320268630981445}
WEIGHT26
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS27
the atoms involved in each of the contacts you wish to calculate
=16,65
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=0.5956858992576599}
WEIGHT27
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS28
the atoms involved in each of the contacts you wish to calculate
=16,2614
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=0.46076998114585876}
WEIGHT28
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS29
the atoms involved in each of the contacts you wish to calculate
=16,2615
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=0.5792917609214783}
WEIGHT29
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS30
the atoms involved in each of the contacts you wish to calculate
=16,2678
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=0.5951782464981079}
WEIGHT30
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS31
the atoms involved in each of the contacts you wish to calculate
=16,2679
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=0.5030578374862671}
WEIGHT31
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS32
the atoms involved in each of the contacts you wish to calculate
=17,62
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=0.5814033150672913}
WEIGHT32
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS33
the atoms involved in each of the contacts you wish to calculate
=17,2611
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=0.5894521474838257}
WEIGHT33
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS34
the atoms involved in each of the contacts you wish to calculate
=17,2614
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=0.4694271385669708}
WEIGHT34
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS35
the atoms involved in each of the contacts you wish to calculate
=17,2615
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=0.5813930034637451}
WEIGHT35
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS36
the atoms involved in each of the contacts you wish to calculate
=17,2675
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=0.5904388427734375}
WEIGHT36
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS37
the atoms involved in each of the contacts you wish to calculate
=17,2678
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=0.5472659468650818}
WEIGHT37
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS38
the atoms involved in each of the contacts you wish to calculate
=17,2679
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=0.4415496587753296}
WEIGHT38
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS39
the atoms involved in each of the contacts you wish to calculate
=18,71
SWITCH39
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5508483052253723}
WEIGHT39
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS40
the atoms involved in each of the contacts you wish to calculate
=18,2608
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=0.5420581102371216}
WEIGHT40
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS41
the atoms involved in each of the contacts you wish to calculate
=18,2611
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=0.5533843040466309}
WEIGHT41
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS42
the atoms involved in each of the contacts you wish to calculate
=18,2614
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=0.42547157406806946}
WEIGHT42
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS43
the atoms involved in each of the contacts you wish to calculate
=18,2615
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=0.5710954666137695}
WEIGHT43
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS44
the atoms involved in each of the contacts you wish to calculate
=18,2675
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=0.5590439438819885}
WEIGHT44
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS45
the atoms involved in each of the contacts you wish to calculate
=18,2678
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=0.5582616925239563}
WEIGHT45
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS46
the atoms involved in each of the contacts you wish to calculate
=18,2679
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=0.48837918043136597}
WEIGHT46
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS47
the atoms involved in each of the contacts you wish to calculate
=20,71
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=0.4890744686126709}
WEIGHT47
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS48
the atoms involved in each of the contacts you wish to calculate
=20,73
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=0.5911750793457031}
WEIGHT48
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS49
the atoms involved in each of the contacts you wish to calculate
=20,75
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=0.5654979348182678}
WEIGHT49
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS50
the atoms involved in each of the contacts you wish to calculate
=20,2606
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=0.5720219016075134}
WEIGHT50
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS51
the atoms involved in each of the contacts you wish to calculate
=20,2608
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=0.44389525055885315}
WEIGHT51
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS52
the atoms involved in each of the contacts you wish to calculate
=20,2611
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=0.48659440875053406}
WEIGHT52
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS53
the atoms involved in each of the contacts you wish to calculate
=20,2614
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=0.401021271944046}
WEIGHT53
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS54
the atoms involved in each of the contacts you wish to calculate
=20,2615
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=0.5696542859077454}
WEIGHT54
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS55
the atoms involved in each of the contacts you wish to calculate
=20,2619
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=0.5692669749259949}
WEIGHT55
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS56
the atoms involved in each of the contacts you wish to calculate
=20,2620
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=0.5451880097389221}
WEIGHT56
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS57
the atoms involved in each of the contacts you wish to calculate
=20,2672
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=0.5684055089950562}
WEIGHT57
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS58
the atoms involved in each of the contacts you wish to calculate
=20,2675
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=0.4271697700023651}
WEIGHT58
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS59
the atoms involved in each of the contacts you wish to calculate
=20,2678
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=0.44676169753074646}
WEIGHT59
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS60
the atoms involved in each of the contacts you wish to calculate
=20,2679
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=0.3918955624103546}
WEIGHT60
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS61
the atoms involved in each of the contacts you wish to calculate
=20,2680
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=0.5688945651054382}
WEIGHT61
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS62
the atoms involved in each of the contacts you wish to calculate
=23,71
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=0.39653247594833374}
WEIGHT62
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS63
the atoms involved in each of the contacts you wish to calculate
=23,73
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=0.4847557842731476}
WEIGHT63
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS64
the atoms involved in each of the contacts you wish to calculate
=23,75
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=0.44378378987312317}
WEIGHT64
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS65
the atoms involved in each of the contacts you wish to calculate
=23,78
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=0.5802386999130249}
WEIGHT65
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS66
the atoms involved in each of the contacts you wish to calculate
=23,90
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=0.5899050235748291}
WEIGHT66
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS67
the atoms involved in each of the contacts you wish to calculate
=23,92
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=0.5753910541534424}
WEIGHT67
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS68
the atoms involved in each of the contacts you wish to calculate
=23,2608
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=0.5386306047439575}
WEIGHT68
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS69
the atoms involved in each of the contacts you wish to calculate
=23,2614
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=0.5421199202537537}
WEIGHT69
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS70
the atoms involved in each of the contacts you wish to calculate
=23,2620
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=0.5734334588050842}
WEIGHT70
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS71
the atoms involved in each of the contacts you wish to calculate
=23,2672
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=0.48766884207725525}
WEIGHT71
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS72
the atoms involved in each of the contacts you wish to calculate
=23,2675
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=0.36144986748695374}
WEIGHT72
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS73
the atoms involved in each of the contacts you wish to calculate
=23,2678
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=0.3718279302120209}
WEIGHT73
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS74
the atoms involved in each of the contacts you wish to calculate
=23,2679
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=0.34128299355506897}
WEIGHT74
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS75
the atoms involved in each of the contacts you wish to calculate
=23,2680
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=0.47510942816734314}
WEIGHT75
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS76
the atoms involved in each of the contacts you wish to calculate
=24,71
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=0.2877117693424225}
WEIGHT76
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS77
the atoms involved in each of the contacts you wish to calculate
=24,73
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=0.36704790592193604}
WEIGHT77
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS78
the atoms involved in each of the contacts you wish to calculate
=24,75
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=0.33189159631729126}
WEIGHT78
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS79
the atoms involved in each of the contacts you wish to calculate
=24,78
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=0.47225090861320496}
WEIGHT79
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS80
the atoms involved in each of the contacts you wish to calculate
=24,79
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=0.5406902432441711}
WEIGHT80
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS81
the atoms involved in each of the contacts you wish to calculate
=24,86
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=0.562769889831543}
WEIGHT81
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS82
the atoms involved in each of the contacts you wish to calculate
=24,90
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=0.481701135635376}
WEIGHT82
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS83
the atoms involved in each of the contacts you wish to calculate
=24,91
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=0.5948319435119629}
WEIGHT83
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS84
the atoms involved in each of the contacts you wish to calculate
=24,92
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=0.4847874641418457}
WEIGHT84
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS85
the atoms involved in each of the contacts you wish to calculate
=24,2608
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=0.5351438522338867}
WEIGHT85
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS86
the atoms involved in each of the contacts you wish to calculate
=24,2614
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=0.5863667726516724}
WEIGHT86
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS87
the atoms involved in each of the contacts you wish to calculate
=24,2619
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=0.5716545581817627}
WEIGHT87
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS88
the atoms involved in each of the contacts you wish to calculate
=24,2620
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=0.5403016209602356}
WEIGHT88
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS89
the atoms involved in each of the contacts you wish to calculate
=24,2621
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=0.5933851599693298}
WEIGHT89
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS90
the atoms involved in each of the contacts you wish to calculate
=24,2623
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=0.5734788179397583}
WEIGHT90
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS91
the atoms involved in each of the contacts you wish to calculate
=24,2627
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=0.5404683947563171}
WEIGHT91
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS92
the atoms involved in each of the contacts you wish to calculate
=24,2670
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=0.5716544985771179}
WEIGHT92
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS93
the atoms involved in each of the contacts you wish to calculate
=24,2672
SWITCH93
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4304285943508148}
WEIGHT93
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS94
the atoms involved in each of the contacts you wish to calculate
=24,2675
SWITCH94
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3302513062953949}
WEIGHT94
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS95
the atoms involved in each of the contacts you wish to calculate
=24,2678
SWITCH95
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3791040778160095}
WEIGHT95
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS96
the atoms involved in each of the contacts you wish to calculate
=24,2679
SWITCH96
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38755902647972107}
WEIGHT96
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS97
the atoms involved in each of the contacts you wish to calculate
=24,2680
SWITCH97
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4711739122867584}
WEIGHT97
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS98
the atoms involved in each of the contacts you wish to calculate
=25,92
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=0.593320369720459}
WEIGHT98
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS99
the atoms involved in each of the contacts you wish to calculate
=25,2672
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=0.5299820303916931}
WEIGHT99
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS100
the atoms involved in each of the contacts you wish to calculate
=25,2675
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=0.40893274545669556}
WEIGHT100
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS101
the atoms involved in each of the contacts you wish to calculate
=25,2678
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=0.3681331276893616}
WEIGHT101
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS102
the atoms involved in each of the contacts you wish to calculate
=25,2679
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=0.32019057869911194}
WEIGHT102
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS103
the atoms involved in each of the contacts you wish to calculate
=25,2680
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=0.44893988966941833}
WEIGHT103
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS104
the atoms involved in each of the contacts you wish to calculate
=27,92
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=0.510956883430481}
WEIGHT104
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS105
the atoms involved in each of the contacts you wish to calculate
=27,96
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=0.584258496761322}
WEIGHT105
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS106
the atoms involved in each of the contacts you wish to calculate
=27,99
SWITCH106
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49235567450523376}
WEIGHT106
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS107
the atoms involved in each of the contacts you wish to calculate
=27,102
SWITCH107
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5754112601280212}
WEIGHT107
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS108
the atoms involved in each of the contacts you wish to calculate
=27,2672
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=0.5144948363304138}
WEIGHT108
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS109
the atoms involved in each of the contacts you wish to calculate
=27,2675
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=0.42616894841194153}
WEIGHT109
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS110
the atoms involved in each of the contacts you wish to calculate
=27,2678
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=0.37256675958633423}
WEIGHT110
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS111
the atoms involved in each of the contacts you wish to calculate
=27,2679
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=0.3573150038719177}
WEIGHT111
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS112
the atoms involved in each of the contacts you wish to calculate
=27,2680
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=0.41182634234428406}
WEIGHT112
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS113
the atoms involved in each of the contacts you wish to calculate
=27,2757
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=0.5834671854972839}
WEIGHT113
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS114
the atoms involved in each of the contacts you wish to calculate
=27,2760
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=0.5841530561447144}
WEIGHT114
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS115
the atoms involved in each of the contacts you wish to calculate
=29,99
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=0.514694094657898}
WEIGHT115
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS116
the atoms involved in each of the contacts you wish to calculate
=29,102
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=0.5818952322006226}
WEIGHT116
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS117
the atoms involved in each of the contacts you wish to calculate
=29,2675
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=0.5233622789382935}
WEIGHT117
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS118
the atoms involved in each of the contacts you wish to calculate
=29,2678
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=0.42942535877227783}
WEIGHT118
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS119
the atoms involved in each of the contacts you wish to calculate
=29,2679
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=0.39814838767051697}
WEIGHT119
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS120
the atoms involved in each of the contacts you wish to calculate
=29,2680
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=0.4375673234462738}
WEIGHT120
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS121
the atoms involved in each of the contacts you wish to calculate
=29,2757
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=0.5820671916007996}
WEIGHT121
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS122
the atoms involved in each of the contacts you wish to calculate
=29,2760
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=0.5739086270332336}
WEIGHT122
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS123
the atoms involved in each of the contacts you wish to calculate
=32,92
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=0.590475857257843}
WEIGHT123
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS124
the atoms involved in each of the contacts you wish to calculate
=32,96
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=0.5980925559997559}
WEIGHT124
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS125
the atoms involved in each of the contacts you wish to calculate
=32,99
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=0.4611669182777405}
WEIGHT125
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS126
the atoms involved in each of the contacts you wish to calculate
=32,102
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=0.490816593170166}
WEIGHT126
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS127
the atoms involved in each of the contacts you wish to calculate
=32,103
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=0.5402840971946716}
WEIGHT127
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS128
the atoms involved in each of the contacts you wish to calculate
=32,104
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=0.5118651390075684}
WEIGHT128
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS129
the atoms involved in each of the contacts you wish to calculate
=32,2672
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=0.59260094165802}
WEIGHT129
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS130
the atoms involved in each of the contacts you wish to calculate
=32,2675
SWITCH130
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5480044484138489}
WEIGHT130
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS131
the atoms involved in each of the contacts you wish to calculate
=32,2678
SWITCH131
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45117735862731934}
WEIGHT131
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS132
the atoms involved in each of the contacts you wish to calculate
=32,2679
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=0.4540870189666748}
WEIGHT132
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS133
the atoms involved in each of the contacts you wish to calculate
=32,2680
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=0.4137559235095978}
WEIGHT133
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS134
the atoms involved in each of the contacts you wish to calculate
=32,2757
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=0.4610433578491211}
WEIGHT134
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS135
the atoms involved in each of the contacts you wish to calculate
=32,2760
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=0.4710689187049866}
WEIGHT135
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS136
the atoms involved in each of the contacts you wish to calculate
=33,92
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=0.48619014024734497}
WEIGHT136
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS137
the atoms involved in each of the contacts you wish to calculate
=33,94
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=0.5412965416908264}
WEIGHT137
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS138
the atoms involved in each of the contacts you wish to calculate
=33,96
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=0.5099625587463379}
WEIGHT138
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS139
the atoms involved in each of the contacts you wish to calculate
=33,99
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=0.37818774580955505}
WEIGHT139
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS140
the atoms involved in each of the contacts you wish to calculate
=33,102
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=0.39580798149108887}
WEIGHT140
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS141
the atoms involved in each of the contacts you wish to calculate
=33,103
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=0.4280443787574768}
WEIGHT141
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS142
the atoms involved in each of the contacts you wish to calculate
=33,104
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=0.436663419008255}
WEIGHT142
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS143
the atoms involved in each of the contacts you wish to calculate
=33,2672
SWITCH143
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442655682563782}
WEIGHT143
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS144
the atoms involved in each of the contacts you wish to calculate
=33,2675
SWITCH144
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5237347483634949}
WEIGHT144
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS145
the atoms involved in each of the contacts you wish to calculate
=33,2678
SWITCH145
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45534396171569824}
WEIGHT145
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS146
the atoms involved in each of the contacts you wish to calculate
=33,2679
SWITCH146
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4873952567577362}
WEIGHT146
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS147
the atoms involved in each of the contacts you wish to calculate
=33,2680
SWITCH147
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41103172302246094}
WEIGHT147
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS148
the atoms involved in each of the contacts you wish to calculate
=33,2754
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=0.5307222604751587}
WEIGHT148
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS149
the atoms involved in each of the contacts you wish to calculate
=33,2757
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=0.39317935705184937}
WEIGHT149
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS150
the atoms involved in each of the contacts you wish to calculate
=33,2760
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=0.4363679587841034}
WEIGHT150
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS151
the atoms involved in each of the contacts you wish to calculate
=34,99
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=0.5410417914390564}
WEIGHT151
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS152
the atoms involved in each of the contacts you wish to calculate
=34,102
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=0.5479307770729065}
WEIGHT152
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS153
the atoms involved in each of the contacts you wish to calculate
=34,104
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=0.5418220162391663}
WEIGHT153
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS154
the atoms involved in each of the contacts you wish to calculate
=34,2678
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=0.5124003291130066}
WEIGHT154
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS155
the atoms involved in each of the contacts you wish to calculate
=34,2679
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=0.5096724629402161}
WEIGHT155
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS156
the atoms involved in each of the contacts you wish to calculate
=34,2680
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=0.4535317122936249}
WEIGHT156
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS157
the atoms involved in each of the contacts you wish to calculate
=34,2757
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=0.47039350867271423}
WEIGHT157
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS158
the atoms involved in each of the contacts you wish to calculate
=34,2760
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=0.46715834736824036}
WEIGHT158
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS159
the atoms involved in each of the contacts you wish to calculate
=35,92
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=0.4022260308265686}
WEIGHT159
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS160
the atoms involved in each of the contacts you wish to calculate
=35,94
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=0.4914253354072571}
WEIGHT160
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS161
the atoms involved in each of the contacts you wish to calculate
=35,96
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=0.4575159251689911}
WEIGHT161
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS162
the atoms involved in each of the contacts you wish to calculate
=35,99
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=0.38637933135032654}
WEIGHT162
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS163
the atoms involved in each of the contacts you wish to calculate
=35,102
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=0.4969920217990875}
WEIGHT163
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS164
the atoms involved in each of the contacts you wish to calculate
=35,103
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=0.5403600931167603}
WEIGHT164
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS165
the atoms involved in each of the contacts you wish to calculate
=35,104
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=0.5723757147789001}
WEIGHT165
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS166
the atoms involved in each of the contacts you wish to calculate
=35,105
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=0.5979505181312561}
WEIGHT166
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS167
the atoms involved in each of the contacts you wish to calculate
=35,107
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=0.5827502012252808}
WEIGHT167
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS168
the atoms involved in each of the contacts you wish to calculate
=35,2672
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=0.5985766053199768}
WEIGHT168
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS169
the atoms involved in each of the contacts you wish to calculate
=35,2675
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=0.5248190760612488}
WEIGHT169
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS170
the atoms involved in each of the contacts you wish to calculate
=35,2678
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=0.5012356638908386}
WEIGHT170
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS171
the atoms involved in each of the contacts you wish to calculate
=35,2679
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=0.4978325366973877}
WEIGHT171
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS172
the atoms involved in each of the contacts you wish to calculate
=35,2680
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=0.5375557541847229}
WEIGHT172
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS173
the atoms involved in each of the contacts you wish to calculate
=36,92
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=0.2943228483200073}
WEIGHT173
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS174
the atoms involved in each of the contacts you wish to calculate
=36,94
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=0.3750133216381073}
WEIGHT174
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS175
the atoms involved in each of the contacts you wish to calculate
=36,96
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=0.34881076216697693}
WEIGHT175
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS176
the atoms involved in each of the contacts you wish to calculate
=36,99
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=0.2804799973964691}
WEIGHT176
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS177
the atoms involved in each of the contacts you wish to calculate
=36,102
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=0.3877641260623932}
WEIGHT177
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS178
the atoms involved in each of the contacts you wish to calculate
=36,103
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=0.4228392243385315}
WEIGHT178
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS179
the atoms involved in each of the contacts you wish to calculate
=36,104
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=0.4766486585140228}
WEIGHT179
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS180
the atoms involved in each of the contacts you wish to calculate
=36,105
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=0.4921880066394806}
WEIGHT180
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS181
the atoms involved in each of the contacts you wish to calculate
=36,107
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=0.4955866038799286}
WEIGHT181
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS182
the atoms involved in each of the contacts you wish to calculate
=36,2675
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=0.5572888851165771}
WEIGHT182
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS183
the atoms involved in each of the contacts you wish to calculate
=36,2678
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=0.5471096634864807}
WEIGHT183
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS184
the atoms involved in each of the contacts you wish to calculate
=36,2679
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=0.568331778049469}
WEIGHT184
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS185
the atoms involved in each of the contacts you wish to calculate
=36,2680
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=0.5628942251205444}
WEIGHT185
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS186
the atoms involved in each of the contacts you wish to calculate
=36,2757
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=0.5997772216796875}
WEIGHT186
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS187
the atoms involved in each of the contacts you wish to calculate
=37,107
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=0.5903169512748718}
WEIGHT187
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS188
the atoms involved in each of the contacts you wish to calculate
=37,2678
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=0.5944754481315613}
WEIGHT188
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS189
the atoms involved in each of the contacts you wish to calculate
=37,2679
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=0.5704463720321655}
WEIGHT189
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS190
the atoms involved in each of the contacts you wish to calculate
=39,107
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=0.5027105808258057}
WEIGHT190
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS191
the atoms involved in each of the contacts you wish to calculate
=39,109
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=0.5935462713241577}
WEIGHT191
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS192
the atoms involved in each of the contacts you wish to calculate
=39,111
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=0.5568773746490479}
WEIGHT192
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS193
the atoms involved in each of the contacts you wish to calculate
=50,107
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=0.4006657898426056}
WEIGHT193
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS194
the atoms involved in each of the contacts you wish to calculate
=50,109
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=0.4821600615978241}
WEIGHT194
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS195
the atoms involved in each of the contacts you wish to calculate
=50,111
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=0.4323927164077759}
WEIGHT195
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS196
the atoms involved in each of the contacts you wish to calculate
=50,114
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=0.5512949228286743}
WEIGHT196
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS197
the atoms involved in each of the contacts you wish to calculate
=50,116
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=0.5583664774894714}
WEIGHT197
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS198
the atoms involved in each of the contacts you wish to calculate
=50,117
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=0.5980715155601501}
WEIGHT198
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS199
the atoms involved in each of the contacts you wish to calculate
=50,119
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=0.5966382622718811}
WEIGHT199
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS200
the atoms involved in each of the contacts you wish to calculate
=51,107
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=0.2862236797809601}
WEIGHT200
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS201
the atoms involved in each of the contacts you wish to calculate
=51,109
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=0.3626832962036133}
WEIGHT201
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS202
the atoms involved in each of the contacts you wish to calculate
=51,111
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=0.32580095529556274}
WEIGHT202
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS203
the atoms involved in each of the contacts you wish to calculate
=51,114
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=0.4501654803752899}
WEIGHT203
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS204
the atoms involved in each of the contacts you wish to calculate
=51,115
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=0.5505958199501038}
WEIGHT204
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS205
the atoms involved in each of the contacts you wish to calculate
=51,116
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=0.4751568138599396}
WEIGHT205
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS206
the atoms involved in each of the contacts you wish to calculate
=51,117
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=0.48598387837409973}
WEIGHT206
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS207
the atoms involved in each of the contacts you wish to calculate
=51,118
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=0.5959718823432922}
WEIGHT207
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS208
the atoms involved in each of the contacts you wish to calculate
=51,119
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=0.5002760291099548}
WEIGHT208
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS209
the atoms involved in each of the contacts you wish to calculate
=54,119
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=0.527902364730835}
WEIGHT209
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS210
the atoms involved in each of the contacts you wish to calculate
=54,2489
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=0.553002655506134}
WEIGHT210
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS211
the atoms involved in each of the contacts you wish to calculate
=54,2491
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=0.5405457019805908}
WEIGHT211
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS212
the atoms involved in each of the contacts you wish to calculate
=54,2493
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=0.4647645950317383}
WEIGHT212
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS213
the atoms involved in each of the contacts you wish to calculate
=54,2565
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=0.5805972218513489}
WEIGHT213
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS214
the atoms involved in each of the contacts you wish to calculate
=54,2627
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=0.537663459777832}
WEIGHT214
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS215
the atoms involved in each of the contacts you wish to calculate
=56,2489
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=0.5900083184242249}
WEIGHT215
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS216
the atoms involved in each of the contacts you wish to calculate
=56,2491
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=0.5195974111557007}
WEIGHT216
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS217
the atoms involved in each of the contacts you wish to calculate
=56,2493
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=0.47877347469329834}
WEIGHT217
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS218
the atoms involved in each of the contacts you wish to calculate
=56,2556
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=0.5279479622840881}
WEIGHT218
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS219
the atoms involved in each of the contacts you wish to calculate
=56,2558
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=0.5092247724533081}
WEIGHT219
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS220
the atoms involved in each of the contacts you wish to calculate
=56,2561
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=0.561905562877655}
WEIGHT220
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS221
the atoms involved in each of the contacts you wish to calculate
=56,2562
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=0.5512357354164124}
WEIGHT221
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS222
the atoms involved in each of the contacts you wish to calculate
=56,2564
SWITCH222
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5136593580245972}
WEIGHT222
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS223
the atoms involved in each of the contacts you wish to calculate
=56,2565
SWITCH223
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43993300199508667}
WEIGHT223
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS224
the atoms involved in each of the contacts you wish to calculate
=56,2608
SWITCH224
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5183058381080627}
WEIGHT224
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS225
the atoms involved in each of the contacts you wish to calculate
=56,2611
SWITCH225
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5881958603858948}
WEIGHT225
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS226
the atoms involved in each of the contacts you wish to calculate
=56,2614
SWITCH226
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5355895161628723}
WEIGHT226
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS227
the atoms involved in each of the contacts you wish to calculate
=56,2621
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=0.5849206447601318}
WEIGHT227
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS228
the atoms involved in each of the contacts you wish to calculate
=56,2625
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=0.5958532691001892}
WEIGHT228
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS229
the atoms involved in each of the contacts you wish to calculate
=56,2627
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=0.458141952753067}
WEIGHT229
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS230
the atoms involved in each of the contacts you wish to calculate
=58,119
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=0.5716099739074707}
WEIGHT230
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS231
the atoms involved in each of the contacts you wish to calculate
=58,123
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=0.5633655190467834}
WEIGHT231
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS232
the atoms involved in each of the contacts you wish to calculate
=58,2481
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=0.5999452471733093}
WEIGHT232
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS233
the atoms involved in each of the contacts you wish to calculate
=58,2484
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=0.5256874561309814}
WEIGHT233
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS234
the atoms involved in each of the contacts you wish to calculate
=58,2487
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=0.5972052812576294}
WEIGHT234
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS235
the atoms involved in each of the contacts you wish to calculate
=58,2489
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=0.48624786734580994}
WEIGHT235
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS236
the atoms involved in each of the contacts you wish to calculate
=58,2491
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=0.3958696126937866}
WEIGHT236
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS237
the atoms involved in each of the contacts you wish to calculate
=58,2493
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=0.3695770502090454}
WEIGHT237
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS238
the atoms involved in each of the contacts you wish to calculate
=58,2556
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=0.45701441168785095}
WEIGHT238
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS239
the atoms involved in each of the contacts you wish to calculate
=58,2558
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=0.424185186624527}
WEIGHT239
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS240
the atoms involved in each of the contacts you wish to calculate
=58,2561
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=0.5086857080459595}
WEIGHT240
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS241
the atoms involved in each of the contacts you wish to calculate
=58,2562
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=0.5307863354682922}
WEIGHT241
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS242
the atoms involved in each of the contacts you wish to calculate
=58,2563
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=0.5881573557853699}
WEIGHT242
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS243
the atoms involved in each of the contacts you wish to calculate
=58,2564
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=0.42004892230033875}
WEIGHT243
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS244
the atoms involved in each of the contacts you wish to calculate
=58,2565
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=0.35836589336395264}
WEIGHT244
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS245
the atoms involved in each of the contacts you wish to calculate
=58,2566
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=0.5086581110954285}
WEIGHT245
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS246
the atoms involved in each of the contacts you wish to calculate
=58,2568
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=0.548278272151947}
WEIGHT246
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS247
the atoms involved in each of the contacts you wish to calculate
=58,2579
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=0.5944342613220215}
WEIGHT247
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS248
the atoms involved in each of the contacts you wish to calculate
=58,2608
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=0.5315127372741699}
WEIGHT248
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS249
the atoms involved in each of the contacts you wish to calculate
=58,2614
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=0.5951092839241028}
WEIGHT249
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS250
the atoms involved in each of the contacts you wish to calculate
=58,2619
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=0.590059220790863}
WEIGHT250
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS251
the atoms involved in each of the contacts you wish to calculate
=58,2621
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=0.5361744165420532}
WEIGHT251
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS252
the atoms involved in each of the contacts you wish to calculate
=58,2623
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=0.5519157648086548}
WEIGHT252
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS253
the atoms involved in each of the contacts you wish to calculate
=58,2625
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=0.5165712833404541}
WEIGHT253
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS254
the atoms involved in each of the contacts you wish to calculate
=58,2627
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=0.3691733479499817}
WEIGHT254
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS255
the atoms involved in each of the contacts you wish to calculate
=58,2631
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=0.5959714651107788}
WEIGHT255
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS256
the atoms involved in each of the contacts you wish to calculate
=62,2491
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=0.5655525326728821}
WEIGHT256
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS257
the atoms involved in each of the contacts you wish to calculate
=62,2493
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=0.5495582818984985}
WEIGHT257
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS258
the atoms involved in each of the contacts you wish to calculate
=62,2556
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=0.4751369059085846}
WEIGHT258
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS259
the atoms involved in each of the contacts you wish to calculate
=62,2558
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=0.4657337963581085}
WEIGHT259
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS260
the atoms involved in each of the contacts you wish to calculate
=62,2561
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=0.4843510687351227}
WEIGHT260
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS261
the atoms involved in each of the contacts you wish to calculate
=62,2562
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=0.4442937672138214}
WEIGHT261
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS262
the atoms involved in each of the contacts you wish to calculate
=62,2563
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=0.5780813097953796}
WEIGHT262
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS263
the atoms involved in each of the contacts you wish to calculate
=62,2564
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=0.5005496740341187}
WEIGHT263
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS264
the atoms involved in each of the contacts you wish to calculate
=62,2565
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=0.44313547015190125}
WEIGHT264
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS265
the atoms involved in each of the contacts you wish to calculate
=62,2608
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=0.4947896897792816}
WEIGHT265
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS266
the atoms involved in each of the contacts you wish to calculate
=62,2611
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=0.5249516367912292}
WEIGHT266
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS267
the atoms involved in each of the contacts you wish to calculate
=62,2614
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=0.4355570673942566}
WEIGHT267
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS268
the atoms involved in each of the contacts you wish to calculate
=62,2615
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=0.574617862701416}
WEIGHT268
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS269
the atoms involved in each of the contacts you wish to calculate
=62,2627
SWITCH269
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5743849873542786}
WEIGHT269
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS270
the atoms involved in each of the contacts you wish to calculate
=65,2491
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=0.49618029594421387}
WEIGHT270
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS271
the atoms involved in each of the contacts you wish to calculate
=65,2493
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=0.4935963451862335}
WEIGHT271
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS272
the atoms involved in each of the contacts you wish to calculate
=65,2554
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=0.5729231238365173}
WEIGHT272
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS273
the atoms involved in each of the contacts you wish to calculate
=65,2556
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=0.4475287199020386}
WEIGHT273
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS274
the atoms involved in each of the contacts you wish to calculate
=65,2558
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=0.39825743436813354}
WEIGHT274
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS275
the atoms involved in each of the contacts you wish to calculate
=65,2561
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=0.3807951509952545}
WEIGHT275
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS276
the atoms involved in each of the contacts you wish to calculate
=65,2562
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=0.346707284450531}
WEIGHT276
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS277
the atoms involved in each of the contacts you wish to calculate
=65,2563
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=0.45603838562965393}
WEIGHT277
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS278
the atoms involved in each of the contacts you wish to calculate
=65,2564
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=0.5080836415290833}
WEIGHT278
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS279
the atoms involved in each of the contacts you wish to calculate
=65,2565
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=0.48635584115982056}
WEIGHT279
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS280
the atoms involved in each of the contacts you wish to calculate
=65,2614
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=0.513218104839325}
WEIGHT280
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS281
the atoms involved in each of the contacts you wish to calculate
=69,119
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=0.4192432761192322}
WEIGHT281
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS282
the atoms involved in each of the contacts you wish to calculate
=69,121
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=0.5216367244720459}
WEIGHT282
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS283
the atoms involved in each of the contacts you wish to calculate
=69,123
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=0.5017626285552979}
WEIGHT283
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS284
the atoms involved in each of the contacts you wish to calculate
=69,2489
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=0.5235073566436768}
WEIGHT284
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS285
the atoms involved in each of the contacts you wish to calculate
=69,2491
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=0.5529934167861938}
WEIGHT285
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS286
the atoms involved in each of the contacts you wish to calculate
=69,2493
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=0.45906662940979004}
WEIGHT286
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS287
the atoms involved in each of the contacts you wish to calculate
=69,2627
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=0.46680837869644165}
WEIGHT287
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS288
the atoms involved in each of the contacts you wish to calculate
=70,119
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=0.30375340580940247}
WEIGHT288
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS289
the atoms involved in each of the contacts you wish to calculate
=70,121
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=0.402688592672348}
WEIGHT289
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS290
the atoms involved in each of the contacts you wish to calculate
=70,123
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=0.39134252071380615}
WEIGHT290
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS291
the atoms involved in each of the contacts you wish to calculate
=70,126
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=0.5372466444969177}
WEIGHT291
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS292
the atoms involved in each of the contacts you wish to calculate
=70,128
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=0.5952891707420349}
WEIGHT292
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS293
the atoms involved in each of the contacts you wish to calculate
=70,132
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=0.5877977013587952}
WEIGHT293
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS294
the atoms involved in each of the contacts you wish to calculate
=70,136
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=0.5143227577209473}
WEIGHT294
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS295
the atoms involved in each of the contacts you wish to calculate
=70,138
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=0.5109609365463257}
WEIGHT295
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS296
the atoms involved in each of the contacts you wish to calculate
=70,2487
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=0.5545793771743774}
WEIGHT296
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS297
the atoms involved in each of the contacts you wish to calculate
=70,2489
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=0.4219445288181305}
WEIGHT297
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS298
the atoms involved in each of the contacts you wish to calculate
=70,2491
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=0.49128490686416626}
WEIGHT298
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS299
the atoms involved in each of the contacts you wish to calculate
=70,2493
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=0.3805406987667084}
WEIGHT299
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS300
the atoms involved in each of the contacts you wish to calculate
=70,2627
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=0.4766139090061188}
WEIGHT300
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS301
the atoms involved in each of the contacts you wish to calculate
=71,2493
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=0.5805965662002563}
WEIGHT301
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS302
the atoms involved in each of the contacts you wish to calculate
=71,2623
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=0.5917905569076538}
WEIGHT302
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS303
the atoms involved in each of the contacts you wish to calculate
=71,2625
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=0.5675287842750549}
WEIGHT303
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS304
the atoms involved in each of the contacts you wish to calculate
=71,2627
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=0.44709062576293945}
WEIGHT304
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS305
the atoms involved in each of the contacts you wish to calculate
=71,2672
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=0.5566729307174683}
WEIGHT305
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS306
the atoms involved in each of the contacts you wish to calculate
=71,2675
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=0.5266213417053223}
WEIGHT306
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS307
the atoms involved in each of the contacts you wish to calculate
=73,138
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=0.5262144207954407}
WEIGHT307
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS308
the atoms involved in each of the contacts you wish to calculate
=73,142
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=0.5642985105514526}
WEIGHT308
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS309
the atoms involved in each of the contacts you wish to calculate
=73,145
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=0.5166874527931213}
WEIGHT309
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS310
the atoms involved in each of the contacts you wish to calculate
=73,2623
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=0.5695807337760925}
WEIGHT310
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS311
the atoms involved in each of the contacts you wish to calculate
=73,2625
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=0.5300518870353699}
WEIGHT311
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS312
the atoms involved in each of the contacts you wish to calculate
=73,2627
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=0.4312378168106079}
WEIGHT312
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS313
the atoms involved in each of the contacts you wish to calculate
=73,2672
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=0.5113325119018555}
WEIGHT313
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS314
the atoms involved in each of the contacts you wish to calculate
=73,2675
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=0.5218219757080078}
WEIGHT314
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS315
the atoms involved in each of the contacts you wish to calculate
=75,145
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=0.5461666584014893}
WEIGHT315
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS316
the atoms involved in each of the contacts you wish to calculate
=75,2623
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=0.5463424921035767}
WEIGHT316
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS317
the atoms involved in each of the contacts you wish to calculate
=75,2625
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=0.5381700396537781}
WEIGHT317
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS318
the atoms involved in each of the contacts you wish to calculate
=75,2627
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=0.4755480885505676}
WEIGHT318
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS319
the atoms involved in each of the contacts you wish to calculate
=75,2636
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=0.5511779189109802}
WEIGHT319
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS320
the atoms involved in each of the contacts you wish to calculate
=75,2670
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=0.5225564241409302}
WEIGHT320
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS321
the atoms involved in each of the contacts you wish to calculate
=75,2672
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=0.37662312388420105}
WEIGHT321
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS322
the atoms involved in each of the contacts you wish to calculate
=75,2675
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=0.4034428596496582}
WEIGHT322
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS323
the atoms involved in each of the contacts you wish to calculate
=75,2678
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=0.48040005564689636}
WEIGHT323
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS324
the atoms involved in each of the contacts you wish to calculate
=75,2679
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=0.5620198249816895}
WEIGHT324
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS325
the atoms involved in each of the contacts you wish to calculate
=75,2680
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=0.49693572521209717}
WEIGHT325
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS326
the atoms involved in each of the contacts you wish to calculate
=75,2683
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=0.550622284412384}
WEIGHT326
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS327
the atoms involved in each of the contacts you wish to calculate
=75,2684
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=0.5932227373123169}
WEIGHT327
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS328
the atoms involved in each of the contacts you wish to calculate
=75,2685
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=0.5753479599952698}
WEIGHT328
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS329
the atoms involved in each of the contacts you wish to calculate
=75,2757
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=0.5216971635818481}
WEIGHT329
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS330
the atoms involved in each of the contacts you wish to calculate
=75,2760
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=0.579897403717041}
WEIGHT330
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS331
the atoms involved in each of the contacts you wish to calculate
=78,138
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=0.5930233597755432}
WEIGHT331
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS332
the atoms involved in each of the contacts you wish to calculate
=78,142
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=0.52531898021698}
WEIGHT332
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS333
the atoms involved in each of the contacts you wish to calculate
=78,145
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=0.44403955340385437}
WEIGHT333
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS334
the atoms involved in each of the contacts you wish to calculate
=78,148
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=0.5833463668823242}
WEIGHT334
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS335
the atoms involved in each of the contacts you wish to calculate
=78,149
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=0.5318777561187744}
WEIGHT335
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS336
the atoms involved in each of the contacts you wish to calculate
=78,2623
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=0.5706601738929749}
WEIGHT336
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS337
the atoms involved in each of the contacts you wish to calculate
=78,2625
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=0.5489060878753662}
WEIGHT337
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS338
the atoms involved in each of the contacts you wish to calculate
=78,2627
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=0.5168857574462891}
WEIGHT338
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS339
the atoms involved in each of the contacts you wish to calculate
=78,2636
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=0.526077926158905}
WEIGHT339
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS340
the atoms involved in each of the contacts you wish to calculate
=78,2670
SWITCH340
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5074860453605652}
WEIGHT340
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS341
the atoms involved in each of the contacts you wish to calculate
=78,2672
SWITCH341
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3855539858341217}
WEIGHT341
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS342
the atoms involved in each of the contacts you wish to calculate
=78,2675
SWITCH342
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4632936120033264}
WEIGHT342
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS343
the atoms involved in each of the contacts you wish to calculate
=78,2678
SWITCH343
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5396860837936401}
WEIGHT343
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS344
the atoms involved in each of the contacts you wish to calculate
=78,2680
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=0.5255682468414307}
WEIGHT344
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS345
the atoms involved in each of the contacts you wish to calculate
=78,2683
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=0.4937547743320465}
WEIGHT345
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS346
the atoms involved in each of the contacts you wish to calculate
=78,2684
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=0.5237385630607605}
WEIGHT346
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS347
the atoms involved in each of the contacts you wish to calculate
=78,2685
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=0.5033548474311829}
WEIGHT347
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS348
the atoms involved in each of the contacts you wish to calculate
=78,2687
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=0.5341854691505432}
WEIGHT348
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS349
the atoms involved in each of the contacts you wish to calculate
=78,2689
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=0.5978879332542419}
WEIGHT349
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS350
the atoms involved in each of the contacts you wish to calculate
=78,2751
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=0.4983763098716736}
WEIGHT350
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS351
the atoms involved in each of the contacts you wish to calculate
=78,2754
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=0.532656729221344}
WEIGHT351
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS352
the atoms involved in each of the contacts you wish to calculate
=78,2757
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=0.46444469690322876}
WEIGHT352
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS353
the atoms involved in each of the contacts you wish to calculate
=78,2760
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=0.5410969853401184}
WEIGHT353
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS354
the atoms involved in each of the contacts you wish to calculate
=79,142
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=0.551453709602356}
WEIGHT354
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS355
the atoms involved in each of the contacts you wish to calculate
=79,145
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=0.4374862611293793}
WEIGHT355
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS356
the atoms involved in each of the contacts you wish to calculate
=79,148
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=0.539935290813446}
WEIGHT356
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS357
the atoms involved in each of the contacts you wish to calculate
=79,149
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=0.4533641040325165}
WEIGHT357
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS358
the atoms involved in each of the contacts you wish to calculate
=79,656
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=0.5627663731575012}
WEIGHT358
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS359
the atoms involved in each of the contacts you wish to calculate
=79,658
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=0.5932503342628479}
WEIGHT359
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS360
the atoms involved in each of the contacts you wish to calculate
=79,2623
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=0.4883851408958435}
WEIGHT360
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS361
the atoms involved in each of the contacts you wish to calculate
=79,2625
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=0.4583721160888672}
WEIGHT361
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS362
the atoms involved in each of the contacts you wish to calculate
=79,2627
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=0.45889216661453247}
WEIGHT362
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS363
the atoms involved in each of the contacts you wish to calculate
=79,2631
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=0.5897974371910095}
WEIGHT363
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS364
the atoms involved in each of the contacts you wish to calculate
=79,2635
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=0.5004206299781799}
WEIGHT364
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS365
the atoms involved in each of the contacts you wish to calculate
=79,2636
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=0.4208027422428131}
WEIGHT365
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS366
the atoms involved in each of the contacts you wish to calculate
=79,2668
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=0.547883927822113}
WEIGHT366
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS367
the atoms involved in each of the contacts you wish to calculate
=79,2670
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=0.47073233127593994}
WEIGHT367
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS368
the atoms involved in each of the contacts you wish to calculate
=79,2672
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=0.37130147218704224}
WEIGHT368
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS369
the atoms involved in each of the contacts you wish to calculate
=79,2675
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=0.4750472903251648}
WEIGHT369
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS370
the atoms involved in each of the contacts you wish to calculate
=79,2678
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=0.5751712322235107}
WEIGHT370
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS371
the atoms involved in each of the contacts you wish to calculate
=79,2680
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=0.5653483867645264}
WEIGHT371
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS372
the atoms involved in each of the contacts you wish to calculate
=79,2683
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=0.43768784403800964}
WEIGHT372
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS373
the atoms involved in each of the contacts you wish to calculate
=79,2684
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=0.4854326844215393}
WEIGHT373
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS374
the atoms involved in each of the contacts you wish to calculate
=79,2685
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=0.41331222653388977}
WEIGHT374
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS375
the atoms involved in each of the contacts you wish to calculate
=79,2687
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=0.4333093464374542}
WEIGHT375
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS376
the atoms involved in each of the contacts you wish to calculate
=79,2689
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=0.4748903810977936}
WEIGHT376
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS377
the atoms involved in each of the contacts you wish to calculate
=79,2692
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=0.498318076133728}
WEIGHT377
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS378
the atoms involved in each of the contacts you wish to calculate
=79,2695
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=0.5692757964134216}
WEIGHT378
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS379
the atoms involved in each of the contacts you wish to calculate
=79,2698
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=0.5925655364990234}
WEIGHT379
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS380
the atoms involved in each of the contacts you wish to calculate
=79,2707
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=0.5709666609764099}
WEIGHT380
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS381
the atoms involved in each of the contacts you wish to calculate
=79,2751
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=0.49925321340560913}
WEIGHT381
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS382
the atoms involved in each of the contacts you wish to calculate
=79,2754
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=0.5691062808036804}
WEIGHT382
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS383
the atoms involved in each of the contacts you wish to calculate
=79,2757
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=0.5216145515441895}
WEIGHT383
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS384
the atoms involved in each of the contacts you wish to calculate
=79,2760
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=0.5820074677467346}
WEIGHT384
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS385
the atoms involved in each of the contacts you wish to calculate
=81,142
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=0.525982141494751}
WEIGHT385
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS386
the atoms involved in each of the contacts you wish to calculate
=81,145
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=0.3972786068916321}
WEIGHT386
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS387
the atoms involved in each of the contacts you wish to calculate
=81,148
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=0.47352102398872375}
WEIGHT387
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS388
the atoms involved in each of the contacts you wish to calculate
=81,149
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=0.39274802803993225}
WEIGHT388
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS389
the atoms involved in each of the contacts you wish to calculate
=81,590
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=0.5030259490013123}
WEIGHT389
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS390
the atoms involved in each of the contacts you wish to calculate
=81,652
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=0.5840497612953186}
WEIGHT390
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS391
the atoms involved in each of the contacts you wish to calculate
=81,655
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=0.5749348402023315}
WEIGHT391
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS392
the atoms involved in each of the contacts you wish to calculate
=81,656
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=0.49666285514831543}
WEIGHT392
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS393
the atoms involved in each of the contacts you wish to calculate
=81,658
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=0.5448539853096008}
WEIGHT393
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS394
the atoms involved in each of the contacts you wish to calculate
=81,2623
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=0.5673164129257202}
WEIGHT394
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS395
the atoms involved in each of the contacts you wish to calculate
=81,2625
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=0.5287578701972961}
WEIGHT395
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS396
the atoms involved in each of the contacts you wish to calculate
=81,2627
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=0.5546619296073914}
WEIGHT396
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS397
the atoms involved in each of the contacts you wish to calculate
=81,2635
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=0.5497933030128479}
WEIGHT397
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS398
the atoms involved in each of the contacts you wish to calculate
=81,2636
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=0.4579463303089142}
WEIGHT398
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS399
the atoms involved in each of the contacts you wish to calculate
=81,2668
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=0.593340277671814}
WEIGHT399
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS400
the atoms involved in each of the contacts you wish to calculate
=81,2670
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=0.5140514373779297}
WEIGHT400
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS401
the atoms involved in each of the contacts you wish to calculate
=81,2672
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=0.4491288661956787}
WEIGHT401
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS402
the atoms involved in each of the contacts you wish to calculate
=81,2675
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=0.575529158115387}
WEIGHT402
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS403
the atoms involved in each of the contacts you wish to calculate
=81,2683
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=0.4400666356086731}
WEIGHT403
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS404
the atoms involved in each of the contacts you wish to calculate
=81,2684
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=0.4698435068130493}
WEIGHT404
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS405
the atoms involved in each of the contacts you wish to calculate
=81,2685
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=0.39517462253570557}
WEIGHT405
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS406
the atoms involved in each of the contacts you wish to calculate
=81,2687
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=0.3681969940662384}
WEIGHT406
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS407
the atoms involved in each of the contacts you wish to calculate
=81,2689
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=0.40097489953041077}
WEIGHT407
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS408
the atoms involved in each of the contacts you wish to calculate
=81,2692
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=0.39221546053886414}
WEIGHT408
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS409
the atoms involved in each of the contacts you wish to calculate
=81,2695
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=0.44683220982551575}
WEIGHT409
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS410
the atoms involved in each of the contacts you wish to calculate
=81,2698
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=0.45773574709892273}
WEIGHT410
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS411
the atoms involved in each of the contacts you wish to calculate
=81,2700
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=0.5613145232200623}
WEIGHT411
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS412
the atoms involved in each of the contacts you wish to calculate
=81,2707
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=0.49785441160202026}
WEIGHT412
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS413
the atoms involved in each of the contacts you wish to calculate
=81,2708
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=0.5256737470626831}
WEIGHT413
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS414
the atoms involved in each of the contacts you wish to calculate
=81,2748
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=0.5309133529663086}
WEIGHT414
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS415
the atoms involved in each of the contacts you wish to calculate
=81,2751
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=0.4373578131198883}
WEIGHT415
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS416
the atoms involved in each of the contacts you wish to calculate
=81,2754
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=0.5361772775650024}
WEIGHT416
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS417
the atoms involved in each of the contacts you wish to calculate
=81,2757
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=0.5267425775527954}
WEIGHT417
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS418
the atoms involved in each of the contacts you wish to calculate
=81,2760
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=0.5963361263275146}
WEIGHT418
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS419
the atoms involved in each of the contacts you wish to calculate
=83,142
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=0.4696520268917084}
WEIGHT419
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS420
the atoms involved in each of the contacts you wish to calculate
=83,145
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=0.3602140247821808}
WEIGHT420
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS421
the atoms involved in each of the contacts you wish to calculate
=83,148
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=0.45357465744018555}
WEIGHT421
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS422
the atoms involved in each of the contacts you wish to calculate
=83,149
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=0.4248892366886139}
WEIGHT422
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS423
the atoms involved in each of the contacts you wish to calculate
=83,586
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=0.5716477036476135}
WEIGHT423
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS424
the atoms involved in each of the contacts you wish to calculate
=83,590
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=0.42518115043640137}
WEIGHT424
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS425
the atoms involved in each of the contacts you wish to calculate
=83,656
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=0.5878111720085144}
WEIGHT425
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS426
the atoms involved in each of the contacts you wish to calculate
=83,2636
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=0.5849469304084778}
WEIGHT426
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS427
the atoms involved in each of the contacts you wish to calculate
=83,2670
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=0.5852016806602478}
WEIGHT427
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS428
the atoms involved in each of the contacts you wish to calculate
=83,2672
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=0.5251750349998474}
WEIGHT428
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS429
the atoms involved in each of the contacts you wish to calculate
=83,2683
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=0.4977095127105713}
WEIGHT429
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS430
the atoms involved in each of the contacts you wish to calculate
=83,2684
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=0.49413058161735535}
WEIGHT430
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS431
the atoms involved in each of the contacts you wish to calculate
=83,2685
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=0.4733150005340576}
WEIGHT431
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS432
the atoms involved in each of the contacts you wish to calculate
=83,2687
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=0.42556920647621155}
WEIGHT432
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS433
the atoms involved in each of the contacts you wish to calculate
=83,2689
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=0.477904736995697}
WEIGHT433
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS434
the atoms involved in each of the contacts you wish to calculate
=83,2692
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=0.44439736008644104}
WEIGHT434
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS435
the atoms involved in each of the contacts you wish to calculate
=83,2695
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=0.4543248414993286}
WEIGHT435
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS436
the atoms involved in each of the contacts you wish to calculate
=83,2698
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=0.4393700361251831}
WEIGHT436
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS437
the atoms involved in each of the contacts you wish to calculate
=83,2700
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=0.515354335308075}
WEIGHT437
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS438
the atoms involved in each of the contacts you wish to calculate
=83,2704
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=0.5452898740768433}
WEIGHT438
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS439
the atoms involved in each of the contacts you wish to calculate
=83,2707
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=0.5284422039985657}
WEIGHT439
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS440
the atoms involved in each of the contacts you wish to calculate
=83,2708
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=0.5247409343719482}
WEIGHT440
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS441
the atoms involved in each of the contacts you wish to calculate
=83,2746
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=0.5923064351081848}
WEIGHT441
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS442
the atoms involved in each of the contacts you wish to calculate
=83,2748
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=0.4496588110923767}
WEIGHT442
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS443
the atoms involved in each of the contacts you wish to calculate
=83,2751
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=0.36316099762916565}
WEIGHT443
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS444
the atoms involved in each of the contacts you wish to calculate
=83,2754
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=0.4583472013473511}
WEIGHT444
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS445
the atoms involved in each of the contacts you wish to calculate
=83,2757
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=0.47484084963798523}
WEIGHT445
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS446
the atoms involved in each of the contacts you wish to calculate
=83,2760
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=0.5706040263175964}
WEIGHT446
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS447
the atoms involved in each of the contacts you wish to calculate
=84,142
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=0.5002650022506714}
WEIGHT447
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS448
the atoms involved in each of the contacts you wish to calculate
=84,145
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=0.3920181095600128}
WEIGHT448
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS449
the atoms involved in each of the contacts you wish to calculate
=84,148
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=0.44182348251342773}
WEIGHT449
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS450
the atoms involved in each of the contacts you wish to calculate
=84,149
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=0.4325238764286041}
WEIGHT450
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS451
the atoms involved in each of the contacts you wish to calculate
=84,584
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=0.5641710758209229}
WEIGHT451
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS452
the atoms involved in each of the contacts you wish to calculate
=84,586
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=0.4594290852546692}
WEIGHT452
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS453
the atoms involved in each of the contacts you wish to calculate
=84,588
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=0.5039883255958557}
WEIGHT453
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS454
the atoms involved in each of the contacts you wish to calculate
=84,590
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=0.3194636404514313}
WEIGHT454
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS455
the atoms involved in each of the contacts you wish to calculate
=84,594
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=0.5733846426010132}
WEIGHT455
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS456
the atoms involved in each of the contacts you wish to calculate
=84,595
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=0.5550082921981812}
WEIGHT456
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS457
the atoms involved in each of the contacts you wish to calculate
=84,652
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=0.5713930726051331}
WEIGHT457
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS458
the atoms involved in each of the contacts you wish to calculate
=84,656
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=0.5781124234199524}
WEIGHT458
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS459
the atoms involved in each of the contacts you wish to calculate
=84,2683
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=0.5569853782653809}
WEIGHT459
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS460
the atoms involved in each of the contacts you wish to calculate
=84,2684
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=0.537582516670227}
WEIGHT460
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS461
the atoms involved in each of the contacts you wish to calculate
=84,2685
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=0.5191464424133301}
WEIGHT461
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS462
the atoms involved in each of the contacts you wish to calculate
=84,2687
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=0.4334825575351715}
WEIGHT462
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS463
the atoms involved in each of the contacts you wish to calculate
=84,2689
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=0.4717487394809723}
WEIGHT463
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS464
the atoms involved in each of the contacts you wish to calculate
=84,2692
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=0.4009949862957001}
WEIGHT464
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS465
the atoms involved in each of the contacts you wish to calculate
=84,2695
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=0.3724633753299713}
WEIGHT465
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS466
the atoms involved in each of the contacts you wish to calculate
=84,2698
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=0.327600359916687}
WEIGHT466
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS467
the atoms involved in each of the contacts you wish to calculate
=84,2700
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=0.3835701048374176}
WEIGHT467
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS468
the atoms involved in each of the contacts you wish to calculate
=84,2701
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=0.4734238088130951}
WEIGHT468
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS469
the atoms involved in each of the contacts you wish to calculate
=84,2704
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=0.40682312846183777}
WEIGHT469
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS470
the atoms involved in each of the contacts you wish to calculate
=84,2707
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=0.5094203352928162}
WEIGHT470
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS471
the atoms involved in each of the contacts you wish to calculate
=84,2708
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=0.4797842502593994}
WEIGHT471
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS472
the atoms involved in each of the contacts you wish to calculate
=84,2744
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=0.5994447469711304}
WEIGHT472
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS473
the atoms involved in each of the contacts you wish to calculate
=84,2746
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=0.5498915910720825}
WEIGHT473
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS474
the atoms involved in each of the contacts you wish to calculate
=84,2748
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=0.3995659649372101}
WEIGHT474
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS475
the atoms involved in each of the contacts you wish to calculate
=84,2751
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=0.3625049293041229}
WEIGHT475
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS476
the atoms involved in each of the contacts you wish to calculate
=84,2754
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=0.48111751675605774}
WEIGHT476
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS477
the atoms involved in each of the contacts you wish to calculate
=84,2757
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=0.5383992195129395}
WEIGHT477
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS478
the atoms involved in each of the contacts you wish to calculate
=86,138
SWITCH478
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5847785472869873}
WEIGHT478
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS479
the atoms involved in each of the contacts you wish to calculate
=86,140
SWITCH479
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5919957160949707}
WEIGHT479
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS480
the atoms involved in each of the contacts you wish to calculate
=86,142
SWITCH480
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46931782364845276}
WEIGHT480
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS481
the atoms involved in each of the contacts you wish to calculate
=86,145
SWITCH481
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4112861454486847}
WEIGHT481
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS482
the atoms involved in each of the contacts you wish to calculate
=86,148
SWITCH482
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5670715570449829}
WEIGHT482
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS483
the atoms involved in each of the contacts you wish to calculate
=86,149
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=0.555720329284668}
WEIGHT483
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS484
the atoms involved in each of the contacts you wish to calculate
=86,171
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=0.5895600318908691}
WEIGHT484
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS485
the atoms involved in each of the contacts you wish to calculate
=86,2670
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=0.5786440372467041}
WEIGHT485
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS486
the atoms involved in each of the contacts you wish to calculate
=86,2672
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=0.4714941680431366}
WEIGHT486
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS487
the atoms involved in each of the contacts you wish to calculate
=86,2675
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=0.5553250312805176}
WEIGHT487
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS488
the atoms involved in each of the contacts you wish to calculate
=86,2680
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=0.561893880367279}
WEIGHT488
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS489
the atoms involved in each of the contacts you wish to calculate
=86,2683
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=0.5445921421051025}
WEIGHT489
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS490
the atoms involved in each of the contacts you wish to calculate
=86,2684
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=0.5443058013916016}
WEIGHT490
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS491
the atoms involved in each of the contacts you wish to calculate
=86,2685
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=0.5655555129051208}
WEIGHT491
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS492
the atoms involved in each of the contacts you wish to calculate
=86,2687
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=0.5737917423248291}
WEIGHT492
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS493
the atoms involved in each of the contacts you wish to calculate
=86,2748
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=0.5647324323654175}
WEIGHT493
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS494
the atoms involved in each of the contacts you wish to calculate
=86,2751
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=0.4331231713294983}
WEIGHT494
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS495
the atoms involved in each of the contacts you wish to calculate
=86,2754
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=0.4529457986354828}
WEIGHT495
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS496
the atoms involved in each of the contacts you wish to calculate
=86,2757
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=0.40369004011154175}
WEIGHT496
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS497
the atoms involved in each of the contacts you wish to calculate
=86,2760
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=0.5116841793060303}
WEIGHT497
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS498
the atoms involved in each of the contacts you wish to calculate
=88,140
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=0.5784699320793152}
WEIGHT498
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS499
the atoms involved in each of the contacts you wish to calculate
=88,142
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=0.43813228607177734}
WEIGHT499
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS500
the atoms involved in each of the contacts you wish to calculate
=88,145
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=0.3675037920475006}
WEIGHT500
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS501
the atoms involved in each of the contacts you wish to calculate
=88,148
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=0.5040047764778137}
WEIGHT501
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS502
the atoms involved in each of the contacts you wish to calculate
=88,149
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=0.5073596835136414}
WEIGHT502
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS503
the atoms involved in each of the contacts you wish to calculate
=88,171
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=0.5801118612289429}
WEIGHT503
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS504
the atoms involved in each of the contacts you wish to calculate
=88,590
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=0.49149349331855774}
WEIGHT504
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS505
the atoms involved in each of the contacts you wish to calculate
=88,2672
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=0.5349056124687195}
WEIGHT505
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS506
the atoms involved in each of the contacts you wish to calculate
=88,2683
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=0.547234833240509}
WEIGHT506
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS507
the atoms involved in each of the contacts you wish to calculate
=88,2684
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=0.5313664078712463}
WEIGHT507
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS508
the atoms involved in each of the contacts you wish to calculate
=88,2685
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=0.553257942199707}
WEIGHT508
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS509
the atoms involved in each of the contacts you wish to calculate
=88,2687
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=0.5274791717529297}
WEIGHT509
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS510
the atoms involved in each of the contacts you wish to calculate
=88,2689
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=0.599891722202301}
WEIGHT510
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS511
the atoms involved in each of the contacts you wish to calculate
=88,2692
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=0.5785033106803894}
WEIGHT511
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS512
the atoms involved in each of the contacts you wish to calculate
=88,2695
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=0.580222487449646}
WEIGHT512
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS513
the atoms involved in each of the contacts you wish to calculate
=88,2698
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=0.5632504224777222}
WEIGHT513
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS514
the atoms involved in each of the contacts you wish to calculate
=88,2748
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=0.47051045298576355}
WEIGHT514
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS515
the atoms involved in each of the contacts you wish to calculate
=88,2751
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=0.3613017797470093}
WEIGHT515
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS516
the atoms involved in each of the contacts you wish to calculate
=88,2754
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=0.4116445481777191}
WEIGHT516
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS517
the atoms involved in each of the contacts you wish to calculate
=88,2757
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=0.41064453125}
WEIGHT517
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS518
the atoms involved in each of the contacts you wish to calculate
=88,2760
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=0.5283654928207397}
WEIGHT518
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS519
the atoms involved in each of the contacts you wish to calculate
=90,138
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=0.4243747293949127}
WEIGHT519
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS520
the atoms involved in each of the contacts you wish to calculate
=90,140
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=0.5021840929985046}
WEIGHT520
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS521
the atoms involved in each of the contacts you wish to calculate
=90,142
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=0.45640888810157776}
WEIGHT521
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS522
the atoms involved in each of the contacts you wish to calculate
=90,145
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=0.4445964992046356}
WEIGHT522
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS523
the atoms involved in each of the contacts you wish to calculate
=90,149
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=0.5974119305610657}
WEIGHT523
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS524
the atoms involved in each of the contacts you wish to calculate
=90,153
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=0.5916438102722168}
WEIGHT524
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS525
the atoms involved in each of the contacts you wish to calculate
=90,155
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=0.570597231388092}
WEIGHT525
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS526
the atoms involved in each of the contacts you wish to calculate
=90,2627
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=0.5549215078353882}
WEIGHT526
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS527
the atoms involved in each of the contacts you wish to calculate
=91,138
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=0.3081962466239929}
WEIGHT527
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS528
the atoms involved in each of the contacts you wish to calculate
=91,140
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=0.3824211061000824}
WEIGHT528
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS529
the atoms involved in each of the contacts you wish to calculate
=91,142
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=0.3445199429988861}
WEIGHT529
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS530
the atoms involved in each of the contacts you wish to calculate
=91,145
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=0.33717793226242065}
WEIGHT530
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS531
the atoms involved in each of the contacts you wish to calculate
=91,148
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=0.49571865797042847}
WEIGHT531
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS532
the atoms involved in each of the contacts you wish to calculate
=91,149
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=0.5042459964752197}
WEIGHT532
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS533
the atoms involved in each of the contacts you wish to calculate
=91,153
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=0.48180630803108215}
WEIGHT533
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS534
the atoms involved in each of the contacts you wish to calculate
=91,154
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=0.5948377847671509}
WEIGHT534
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS535
the atoms involved in each of the contacts you wish to calculate
=91,155
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=0.47700121998786926}
WEIGHT535
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS536
the atoms involved in each of the contacts you wish to calculate
=91,171
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=0.5943348407745361}
WEIGHT536
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS537
the atoms involved in each of the contacts you wish to calculate
=91,2627
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=0.5745858550071716}
WEIGHT537
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS538
the atoms involved in each of the contacts you wish to calculate
=92,155
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=0.5790080428123474}
WEIGHT538
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS539
the atoms involved in each of the contacts you wish to calculate
=92,171
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=0.5746477842330933}
WEIGHT539
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS540
the atoms involved in each of the contacts you wish to calculate
=94,155
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=0.4843006730079651}
WEIGHT540
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS541
the atoms involved in each of the contacts you wish to calculate
=94,157
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=0.5622499585151672}
WEIGHT541
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS542
the atoms involved in each of the contacts you wish to calculate
=94,159
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=0.5243215560913086}
WEIGHT542
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS543
the atoms involved in each of the contacts you wish to calculate
=94,165
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=0.5999416708946228}
WEIGHT543
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS544
the atoms involved in each of the contacts you wish to calculate
=94,168
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=0.5529745817184448}
WEIGHT544
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS545
the atoms involved in each of the contacts you wish to calculate
=94,170
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=0.4922621250152588}
WEIGHT545
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS546
the atoms involved in each of the contacts you wish to calculate
=94,171
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=0.45928311347961426}
WEIGHT546
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS547
the atoms involved in each of the contacts you wish to calculate
=94,174
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=0.5119433403015137}
WEIGHT547
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS548
the atoms involved in each of the contacts you wish to calculate
=96,155
SWITCH548
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5784645080566406}
WEIGHT548
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS549
the atoms involved in each of the contacts you wish to calculate
=96,159
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=0.5526999235153198}
WEIGHT549
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS550
the atoms involved in each of the contacts you wish to calculate
=96,168
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=0.5265917778015137}
WEIGHT550
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS551
the atoms involved in each of the contacts you wish to calculate
=96,170
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=0.4661823809146881}
WEIGHT551
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS552
the atoms involved in each of the contacts you wish to calculate
=96,171
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=0.4726616144180298}
WEIGHT552
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS553
the atoms involved in each of the contacts you wish to calculate
=96,174
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=0.4499933421611786}
WEIGHT553
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS554
the atoms involved in each of the contacts you wish to calculate
=99,168
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=0.5757662057876587}
WEIGHT554
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS555
the atoms involved in each of the contacts you wish to calculate
=99,170
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=0.4870009124279022}
WEIGHT555
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS556
the atoms involved in each of the contacts you wish to calculate
=99,171
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=0.491630882024765}
WEIGHT556
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS557
the atoms involved in each of the contacts you wish to calculate
=99,174
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=0.4352952837944031}
WEIGHT557
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS558
the atoms involved in each of the contacts you wish to calculate
=102,168
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=0.49716469645500183}
WEIGHT558
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS559
the atoms involved in each of the contacts you wish to calculate
=102,170
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=0.38504528999328613}
WEIGHT559
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS560
the atoms involved in each of the contacts you wish to calculate
=102,171
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=0.37644773721694946}
WEIGHT560
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS561
the atoms involved in each of the contacts you wish to calculate
=102,174
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=0.3296087980270386}
WEIGHT561
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS562
the atoms involved in each of the contacts you wish to calculate
=102,2757
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=0.5824377536773682}
WEIGHT562
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS563
the atoms involved in each of the contacts you wish to calculate
=103,165
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=0.571112871170044}
WEIGHT563
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS564
the atoms involved in each of the contacts you wish to calculate
=103,168
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=0.49017825722694397}
WEIGHT564
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS565
the atoms involved in each of the contacts you wish to calculate
=103,170
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=0.3726847171783447}
WEIGHT565
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS566
the atoms involved in each of the contacts you wish to calculate
=103,171
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=0.32049480080604553}
WEIGHT566
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS567
the atoms involved in each of the contacts you wish to calculate
=103,174
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=0.35675477981567383}
WEIGHT567
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS568
the atoms involved in each of the contacts you wish to calculate
=103,2754
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=0.5845682621002197}
WEIGHT568
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS569
the atoms involved in each of the contacts you wish to calculate
=103,2757
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=0.5356993079185486}
WEIGHT569
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS570
the atoms involved in each of the contacts you wish to calculate
=104,168
SWITCH570
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48746052384376526}
WEIGHT570
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS571
the atoms involved in each of the contacts you wish to calculate
=104,170
SWITCH571
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37119659781455994}
WEIGHT571
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS572
the atoms involved in each of the contacts you wish to calculate
=104,171
SWITCH572
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39011022448539734}
WEIGHT572
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS573
the atoms involved in each of the contacts you wish to calculate
=104,174
SWITCH573
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2769278585910797}
WEIGHT573
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS574
the atoms involved in each of the contacts you wish to calculate
=105,155
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=0.3936966359615326}
WEIGHT574
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS575
the atoms involved in each of the contacts you wish to calculate
=105,157
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=0.47846728563308716}
WEIGHT575
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS576
the atoms involved in each of the contacts you wish to calculate
=105,159
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=0.44442665576934814}
WEIGHT576
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS577
the atoms involved in each of the contacts you wish to calculate
=105,162
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=0.5618299245834351}
WEIGHT577
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS578
the atoms involved in each of the contacts you wish to calculate
=105,165
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=0.5813999176025391}
WEIGHT578
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS579
the atoms involved in each of the contacts you wish to calculate
=105,168
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=0.5617444515228271}
WEIGHT579
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS580
the atoms involved in each of the contacts you wish to calculate
=105,170
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=0.5358394384384155}
WEIGHT580
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS581
the atoms involved in each of the contacts you wish to calculate
=105,171
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=0.5119461417198181}
WEIGHT581
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS582
the atoms involved in each of the contacts you wish to calculate
=105,174
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=0.5792010426521301}
WEIGHT582
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS583
the atoms involved in each of the contacts you wish to calculate
=105,177
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=0.5971757769584656}
WEIGHT583
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS584
the atoms involved in each of the contacts you wish to calculate
=106,155
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=0.2777823805809021}
WEIGHT584
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS585
the atoms involved in each of the contacts you wish to calculate
=106,157
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=0.35657399892807007}
WEIGHT585
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS586
the atoms involved in each of the contacts you wish to calculate
=106,159
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=0.3310907185077667}
WEIGHT586
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS587
the atoms involved in each of the contacts you wish to calculate
=106,162
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=0.4581385850906372}
WEIGHT587
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS588
the atoms involved in each of the contacts you wish to calculate
=106,165
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=0.48814958333969116}
WEIGHT588
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS589
the atoms involved in each of the contacts you wish to calculate
=106,168
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=0.4935433566570282}
WEIGHT589
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS590
the atoms involved in each of the contacts you wish to calculate
=106,170
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=0.4893241226673126}
WEIGHT590
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS591
the atoms involved in each of the contacts you wish to calculate
=106,171
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=0.465021550655365}
WEIGHT591
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS592
the atoms involved in each of the contacts you wish to calculate
=106,174
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=0.5579372644424438}
WEIGHT592
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS593
the atoms involved in each of the contacts you wish to calculate
=106,177
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=0.4753956198692322}
WEIGHT593
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS594
the atoms involved in each of the contacts you wish to calculate
=106,178
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=0.49455469846725464}
WEIGHT594
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS595
the atoms involved in each of the contacts you wish to calculate
=106,179
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=0.5882182717323303}
WEIGHT595
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS596
the atoms involved in each of the contacts you wish to calculate
=107,2489
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=0.5789481401443481}
WEIGHT596
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS597
the atoms involved in each of the contacts you wish to calculate
=107,2493
SWITCH597
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5983418226242065}
WEIGHT597
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS598
the atoms involved in each of the contacts you wish to calculate
=109,2472
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=0.5220774412155151}
WEIGHT598
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS599
the atoms involved in each of the contacts you wish to calculate
=109,2489
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=0.49669909477233887}
WEIGHT599
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS600
the atoms involved in each of the contacts you wish to calculate
=109,2493
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=0.5393236875534058}
WEIGHT600
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS601
the atoms involved in each of the contacts you wish to calculate
=111,2472
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=0.49834689497947693}
WEIGHT601
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS602
the atoms involved in each of the contacts you wish to calculate
=111,2487
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=0.5349353551864624}
WEIGHT602
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS603
the atoms involved in each of the contacts you wish to calculate
=111,2489
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=0.41478776931762695}
WEIGHT603
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS604
the atoms involved in each of the contacts you wish to calculate
=111,2491
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=0.5678739547729492}
WEIGHT604
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS605
the atoms involved in each of the contacts you wish to calculate
=111,2493
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=0.43599191308021545}
WEIGHT605
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS606
the atoms involved in each of the contacts you wish to calculate
=114,2466
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=0.5594121217727661}
WEIGHT606
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS607
the atoms involved in each of the contacts you wish to calculate
=114,2468
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=0.5172153115272522}
WEIGHT607
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS608
the atoms involved in each of the contacts you wish to calculate
=114,2472
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=0.39070579409599304}
WEIGHT608
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS609
the atoms involved in each of the contacts you wish to calculate
=114,2487
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=0.5118759870529175}
WEIGHT609
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS610
the atoms involved in each of the contacts you wish to calculate
=114,2489
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=0.41589900851249695}
WEIGHT610
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS611
the atoms involved in each of the contacts you wish to calculate
=114,2491
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=0.580029308795929}
WEIGHT611
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS612
the atoms involved in each of the contacts you wish to calculate
=114,2493
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=0.4583949148654938}
WEIGHT612
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS613
the atoms involved in each of the contacts you wish to calculate
=115,2466
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=0.49345827102661133}
WEIGHT613
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS614
the atoms involved in each of the contacts you wish to calculate
=115,2468
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=0.42680782079696655}
WEIGHT614
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS615
the atoms involved in each of the contacts you wish to calculate
=115,2469
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=0.522367537021637}
WEIGHT615
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS616
the atoms involved in each of the contacts you wish to calculate
=115,2472
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=0.2924553155899048}
WEIGHT616
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS617
the atoms involved in each of the contacts you wish to calculate
=115,2487
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=0.5158274173736572}
WEIGHT617
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS618
the atoms involved in each of the contacts you wish to calculate
=115,2489
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=0.44396498799324036}
WEIGHT618
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS619
the atoms involved in each of the contacts you wish to calculate
=115,2493
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=0.5182554721832275}
WEIGHT619
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS620
the atoms involved in each of the contacts you wish to calculate
=116,2466
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=0.5777896046638489}
WEIGHT620
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS621
the atoms involved in each of the contacts you wish to calculate
=116,2468
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=0.557919979095459}
WEIGHT621
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS622
the atoms involved in each of the contacts you wish to calculate
=116,2472
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=0.4431975185871124}
WEIGHT622
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS623
the atoms involved in each of the contacts you wish to calculate
=116,2476
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=0.5856500267982483}
WEIGHT623
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS624
the atoms involved in each of the contacts you wish to calculate
=116,2487
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=0.5392717719078064}
WEIGHT624
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS625
the atoms involved in each of the contacts you wish to calculate
=116,2489
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=0.44796767830848694}
WEIGHT625
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS626
the atoms involved in each of the contacts you wish to calculate
=116,2491
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=0.5705269575119019}
WEIGHT626
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS627
the atoms involved in each of the contacts you wish to calculate
=116,2493
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=0.46698707342147827}
WEIGHT627
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS628
the atoms involved in each of the contacts you wish to calculate
=117,2468
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=0.5794000029563904}
WEIGHT628
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS629
the atoms involved in each of the contacts you wish to calculate
=117,2472
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=0.4666624069213867}
WEIGHT629
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS630
the atoms involved in each of the contacts you wish to calculate
=117,2487
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=0.5343987345695496}
WEIGHT630
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS631
the atoms involved in each of the contacts you wish to calculate
=117,2489
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=0.44154852628707886}
WEIGHT631
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS632
the atoms involved in each of the contacts you wish to calculate
=117,2493
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=0.5117276310920715}
WEIGHT632
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS633
the atoms involved in each of the contacts you wish to calculate
=118,179
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=0.5948761105537415}
WEIGHT633
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS634
the atoms involved in each of the contacts you wish to calculate
=118,2468
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=0.5226342082023621}
WEIGHT634
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS635
the atoms involved in each of the contacts you wish to calculate
=118,2469
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=0.5688244700431824}
WEIGHT635
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS636
the atoms involved in each of the contacts you wish to calculate
=118,2472
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=0.4147334694862366}
WEIGHT636
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS637
the atoms involved in each of the contacts you wish to calculate
=118,2487
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=0.5643527507781982}
WEIGHT637
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS638
the atoms involved in each of the contacts you wish to calculate
=118,2489
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=0.496494859457016}
WEIGHT638
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS639
the atoms involved in each of the contacts you wish to calculate
=118,2493
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=0.5889899730682373}
WEIGHT639
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS640
the atoms involved in each of the contacts you wish to calculate
=119,2472
SWITCH640
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5287625789642334}
WEIGHT640
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS641
the atoms involved in each of the contacts you wish to calculate
=119,2487
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=0.4841465950012207}
WEIGHT641
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS642
the atoms involved in each of the contacts you wish to calculate
=119,2489
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=0.3875008821487427}
WEIGHT642
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS643
the atoms involved in each of the contacts you wish to calculate
=119,2491
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=0.5781373977661133}
WEIGHT643
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS644
the atoms involved in each of the contacts you wish to calculate
=119,2493
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=0.4469820559024811}
WEIGHT644
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS645
the atoms involved in each of the contacts you wish to calculate
=121,2472
SWITCH645
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5315241813659668}
WEIGHT645
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS646
the atoms involved in each of the contacts you wish to calculate
=121,2485
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=0.5696990489959717}
WEIGHT646
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS647
the atoms involved in each of the contacts you wish to calculate
=121,2487
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=0.4506149888038635}
WEIGHT647
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS648
the atoms involved in each of the contacts you wish to calculate
=121,2489
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=0.3882794678211212}
WEIGHT648
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS649
the atoms involved in each of the contacts you wish to calculate
=121,2491
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=0.5852476954460144}
WEIGHT649
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS650
the atoms involved in each of the contacts you wish to calculate
=121,2493
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=0.46923863887786865}
WEIGHT650
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS651
the atoms involved in each of the contacts you wish to calculate
=123,701
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=0.5456225872039795}
WEIGHT651
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS652
the atoms involved in each of the contacts you wish to calculate
=123,2484
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=0.5791321396827698}
WEIGHT652
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS653
the atoms involved in each of the contacts you wish to calculate
=123,2485
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=0.5373994708061218}
WEIGHT653
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS654
the atoms involved in each of the contacts you wish to calculate
=123,2487
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=0.44423991441726685}
WEIGHT654
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS655
the atoms involved in each of the contacts you wish to calculate
=123,2489
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=0.3876829445362091}
WEIGHT655
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS656
the atoms involved in each of the contacts you wish to calculate
=123,2491
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=0.5357497930526733}
WEIGHT656
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS657
the atoms involved in each of the contacts you wish to calculate
=123,2493
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=0.441449910402298}
WEIGHT657
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS658
the atoms involved in each of the contacts you wish to calculate
=123,2627
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=0.5330907106399536}
WEIGHT658
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS659
the atoms involved in each of the contacts you wish to calculate
=126,630
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=0.5642926096916199}
WEIGHT659
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS660
the atoms involved in each of the contacts you wish to calculate
=126,639
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=0.5190467238426208}
WEIGHT660
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS661
the atoms involved in each of the contacts you wish to calculate
=126,647
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=0.5666074752807617}
WEIGHT661
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS662
the atoms involved in each of the contacts you wish to calculate
=126,699
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=0.5293826460838318}
WEIGHT662
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS663
the atoms involved in each of the contacts you wish to calculate
=126,701
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=0.42170247435569763}
WEIGHT663
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS664
the atoms involved in each of the contacts you wish to calculate
=126,703
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=0.5110330581665039}
WEIGHT664
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS665
the atoms involved in each of the contacts you wish to calculate
=126,2484
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=0.5906072854995728}
WEIGHT665
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS666
the atoms involved in each of the contacts you wish to calculate
=126,2485
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=0.5313333868980408}
WEIGHT666
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS667
the atoms involved in each of the contacts you wish to calculate
=126,2487
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=0.455870658159256}
WEIGHT667
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS668
the atoms involved in each of the contacts you wish to calculate
=126,2489
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=0.4450112581253052}
WEIGHT668
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS669
the atoms involved in each of the contacts you wish to calculate
=126,2491
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=0.5807830095291138}
WEIGHT669
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS670
the atoms involved in each of the contacts you wish to calculate
=126,2493
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=0.5123680233955383}
WEIGHT670
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS671
the atoms involved in each of the contacts you wish to calculate
=126,2627
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=0.5922099351882935}
WEIGHT671
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS672
the atoms involved in each of the contacts you wish to calculate
=128,639
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=0.5221266746520996}
WEIGHT672
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS673
the atoms involved in each of the contacts you wish to calculate
=128,642
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=0.5704806447029114}
WEIGHT673
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS674
the atoms involved in each of the contacts you wish to calculate
=128,699
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=0.5785180926322937}
WEIGHT674
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS675
the atoms involved in each of the contacts you wish to calculate
=128,701
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=0.4796541929244995}
WEIGHT675
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS676
the atoms involved in each of the contacts you wish to calculate
=128,703
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=0.5436229705810547}
WEIGHT676
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS677
the atoms involved in each of the contacts you wish to calculate
=128,2466
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=0.593165934085846}
WEIGHT677
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS678
the atoms involved in each of the contacts you wish to calculate
=128,2468
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=0.5919168591499329}
WEIGHT678
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS679
the atoms involved in each of the contacts you wish to calculate
=128,2472
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=0.5895395874977112}
WEIGHT679
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS680
the atoms involved in each of the contacts you wish to calculate
=128,2484
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=0.5013759136199951}
WEIGHT680
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS681
the atoms involved in each of the contacts you wish to calculate
=128,2485
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=0.4169052243232727}
WEIGHT681
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS682
the atoms involved in each of the contacts you wish to calculate
=128,2487
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=0.3465384542942047}
WEIGHT682
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS683
the atoms involved in each of the contacts you wish to calculate
=128,2489
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=0.3778967559337616}
WEIGHT683
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS684
the atoms involved in each of the contacts you wish to calculate
=128,2491
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=0.5218582153320312}
WEIGHT684
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS685
the atoms involved in each of the contacts you wish to calculate
=128,2493
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=0.467732697725296}
WEIGHT685
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS686
the atoms involved in each of the contacts you wish to calculate
=128,2579
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=0.5743491053581238}
WEIGHT686
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS687
the atoms involved in each of the contacts you wish to calculate
=132,630
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=0.557230532169342}
WEIGHT687
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS688
the atoms involved in each of the contacts you wish to calculate
=132,639
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=0.5518144369125366}
WEIGHT688
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS689
the atoms involved in each of the contacts you wish to calculate
=132,646
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=0.5439162850379944}
WEIGHT689
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS690
the atoms involved in each of the contacts you wish to calculate
=132,647
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=0.4817323386669159}
WEIGHT690
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS691
the atoms involved in each of the contacts you wish to calculate
=132,648
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=0.5847914218902588}
WEIGHT691
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS692
the atoms involved in each of the contacts you wish to calculate
=132,650
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=0.5656059384346008}
WEIGHT692
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS693
the atoms involved in each of the contacts you wish to calculate
=132,695
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=0.5839726328849792}
WEIGHT693
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS694
the atoms involved in each of the contacts you wish to calculate
=132,697
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=0.5116190314292908}
WEIGHT694
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS695
the atoms involved in each of the contacts you wish to calculate
=132,699
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=0.38981035351753235}
WEIGHT695
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS696
the atoms involved in each of the contacts you wish to calculate
=132,701
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=0.2981325387954712}
WEIGHT696
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS697
the atoms involved in each of the contacts you wish to calculate
=132,703
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=0.3689349889755249}
WEIGHT697
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS698
the atoms involved in each of the contacts you wish to calculate
=132,2485
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=0.5833978652954102}
WEIGHT698
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS699
the atoms involved in each of the contacts you wish to calculate
=132,2487
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=0.538625955581665}
WEIGHT699
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS700
the atoms involved in each of the contacts you wish to calculate
=132,2489
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=0.5302574634552002}
WEIGHT700
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS701
the atoms involved in each of the contacts you wish to calculate
=132,2493
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=0.5676487684249878}
WEIGHT701
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS702
the atoms involved in each of the contacts you wish to calculate
=132,2579
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=0.5303641557693481}
WEIGHT702
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS703
the atoms involved in each of the contacts you wish to calculate
=132,2625
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=0.5635920763015747}
WEIGHT703
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS704
the atoms involved in each of the contacts you wish to calculate
=132,2627
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=0.5122939944267273}
WEIGHT704
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS705
the atoms involved in each of the contacts you wish to calculate
=132,2631
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=0.5500911474227905}
WEIGHT705
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS706
the atoms involved in each of the contacts you wish to calculate
=136,630
SWITCH706
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5960034728050232}
WEIGHT706
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS707
the atoms involved in each of the contacts you wish to calculate
=136,639
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=0.5961722731590271}
WEIGHT707
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS708
the atoms involved in each of the contacts you wish to calculate
=136,2487
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=0.583244264125824}
WEIGHT708
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS709
the atoms involved in each of the contacts you wish to calculate
=136,2489
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=0.5341731309890747}
WEIGHT709
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS710
the atoms involved in each of the contacts you wish to calculate
=137,630
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=0.5356175303459167}
WEIGHT710
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS711
the atoms involved in each of the contacts you wish to calculate
=137,633
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=0.5274797677993774}
WEIGHT711
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS712
the atoms involved in each of the contacts you wish to calculate
=137,636
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=0.5731673240661621}
WEIGHT712
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS713
the atoms involved in each of the contacts you wish to calculate
=137,639
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=0.49891984462738037}
WEIGHT713
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS714
the atoms involved in each of the contacts you wish to calculate
=137,2472
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=0.595513105392456}
WEIGHT714
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS715
the atoms involved in each of the contacts you wish to calculate
=137,2489
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=0.5868245959281921}
WEIGHT715
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS716
the atoms involved in each of the contacts you wish to calculate
=140,590
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=0.5583635568618774}
WEIGHT716
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS717
the atoms involved in each of the contacts you wish to calculate
=140,630
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=0.5547485947608948}
WEIGHT717
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS718
the atoms involved in each of the contacts you wish to calculate
=140,633
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=0.5800905227661133}
WEIGHT718
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS719
the atoms involved in each of the contacts you wish to calculate
=142,526
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=0.5594255924224854}
WEIGHT719
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS720
the atoms involved in each of the contacts you wish to calculate
=142,584
SWITCH720
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5549558997154236}
WEIGHT720
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS721
the atoms involved in each of the contacts you wish to calculate
=142,586
SWITCH721
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5379312038421631}
WEIGHT721
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS722
the atoms involved in each of the contacts you wish to calculate
=142,588
SWITCH722
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5218092799186707}
WEIGHT722
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS723
the atoms involved in each of the contacts you wish to calculate
=142,590
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=0.4539978504180908}
WEIGHT723
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS724
the atoms involved in each of the contacts you wish to calculate
=145,584
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=0.5172803997993469}
WEIGHT724
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS725
the atoms involved in each of the contacts you wish to calculate
=145,586
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=0.4952909052371979}
WEIGHT725
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS726
the atoms involved in each of the contacts you wish to calculate
=145,588
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=0.5163933038711548}
WEIGHT726
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS727
the atoms involved in each of the contacts you wish to calculate
=145,590
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=0.3797434866428375}
WEIGHT727
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS728
the atoms involved in each of the contacts you wish to calculate
=145,594
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=0.5665209889411926}
WEIGHT728
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS729
the atoms involved in each of the contacts you wish to calculate
=145,595
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=0.520941436290741}
WEIGHT729
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS730
the atoms involved in each of the contacts you wish to calculate
=145,630
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=0.5681661367416382}
WEIGHT730
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS731
the atoms involved in each of the contacts you wish to calculate
=148,580
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=0.5768718123435974}
WEIGHT731
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS732
the atoms involved in each of the contacts you wish to calculate
=148,581
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=0.5350991487503052}
WEIGHT732
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS733
the atoms involved in each of the contacts you wish to calculate
=148,582
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=0.5240075588226318}
WEIGHT733
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS734
the atoms involved in each of the contacts you wish to calculate
=148,584
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=0.3957940936088562}
WEIGHT734
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS735
the atoms involved in each of the contacts you wish to calculate
=148,586
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=0.4171845316886902}
WEIGHT735
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS736
the atoms involved in each of the contacts you wish to calculate
=148,588
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=0.47629809379577637}
WEIGHT736
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS737
the atoms involved in each of the contacts you wish to calculate
=148,590
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=0.31982025504112244}
WEIGHT737
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS738
the atoms involved in each of the contacts you wish to calculate
=148,594
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=0.4200356900691986}
WEIGHT738
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS739
the atoms involved in each of the contacts you wish to calculate
=148,595
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=0.3578909933567047}
WEIGHT739
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS740
the atoms involved in each of the contacts you wish to calculate
=148,596
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=0.5506514310836792}
WEIGHT740
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS741
the atoms involved in each of the contacts you wish to calculate
=148,626
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=0.5499582290649414}
WEIGHT741
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS742
the atoms involved in each of the contacts you wish to calculate
=148,628
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=0.49906522035598755}
WEIGHT742
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS743
the atoms involved in each of the contacts you wish to calculate
=148,630
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=0.400346040725708}
WEIGHT743
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS744
the atoms involved in each of the contacts you wish to calculate
=148,633
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=0.5002557635307312}
WEIGHT744
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS745
the atoms involved in each of the contacts you wish to calculate
=148,646
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=0.4797811508178711}
WEIGHT745
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS746
the atoms involved in each of the contacts you wish to calculate
=148,647
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=0.5423163771629333}
WEIGHT746
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS747
the atoms involved in each of the contacts you wish to calculate
=148,648
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=0.43947696685791016}
WEIGHT747
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS748
the atoms involved in each of the contacts you wish to calculate
=148,650
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=0.48157763481140137}
WEIGHT748
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS749
the atoms involved in each of the contacts you wish to calculate
=148,652
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=0.488968163728714}
WEIGHT749
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS750
the atoms involved in each of the contacts you wish to calculate
=148,655
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=0.5896455645561218}
WEIGHT750
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS751
the atoms involved in each of the contacts you wish to calculate
=148,656
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=0.5817885994911194}
WEIGHT751
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS752
the atoms involved in each of the contacts you wish to calculate
=148,701
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=0.5995648503303528}
WEIGHT752
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS753
the atoms involved in each of the contacts you wish to calculate
=148,2698
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=0.5728715658187866}
WEIGHT753
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS754
the atoms involved in each of the contacts you wish to calculate
=148,2704
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=0.5727450847625732}
WEIGHT754
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS755
the atoms involved in each of the contacts you wish to calculate
=149,584
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=0.5101195573806763}
WEIGHT755
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS756
the atoms involved in each of the contacts you wish to calculate
=149,586
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=0.5241010785102844}
WEIGHT756
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS757
the atoms involved in each of the contacts you wish to calculate
=149,590
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=0.4023629426956177}
WEIGHT757
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS758
the atoms involved in each of the contacts you wish to calculate
=149,594
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=0.4838542342185974}
WEIGHT758
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS759
the atoms involved in each of the contacts you wish to calculate
=149,595
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=0.38894855976104736}
WEIGHT759
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS760
the atoms involved in each of the contacts you wish to calculate
=149,596
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=0.5996214747428894}
WEIGHT760
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS761
the atoms involved in each of the contacts you wish to calculate
=149,626
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=0.5773777961730957}
WEIGHT761
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS762
the atoms involved in each of the contacts you wish to calculate
=149,628
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=0.5109942555427551}
WEIGHT762
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS763
the atoms involved in each of the contacts you wish to calculate
=149,630
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=0.4506794512271881}
WEIGHT763
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS764
the atoms involved in each of the contacts you wish to calculate
=149,633
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=0.5796971917152405}
WEIGHT764
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS765
the atoms involved in each of the contacts you wish to calculate
=149,646
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=0.4391547739505768}
WEIGHT765
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS766
the atoms involved in each of the contacts you wish to calculate
=149,647
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=0.4746769070625305}
WEIGHT766
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS767
the atoms involved in each of the contacts you wish to calculate
=149,648
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=0.38327667117118835}
WEIGHT767
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS768
the atoms involved in each of the contacts you wish to calculate
=149,650
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=0.3722928464412689}
WEIGHT768
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS769
the atoms involved in each of the contacts you wish to calculate
=149,652
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=0.3782920241355896}
WEIGHT769
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS770
the atoms involved in each of the contacts you wish to calculate
=149,655
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=0.4481750726699829}
WEIGHT770
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS771
the atoms involved in each of the contacts you wish to calculate
=149,656
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=0.41668808460235596}
WEIGHT771
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS772
the atoms involved in each of the contacts you wish to calculate
=149,658
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=0.5352613925933838}
WEIGHT772
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS773
the atoms involved in each of the contacts you wish to calculate
=149,663
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=0.583707869052887}
WEIGHT773
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS774
the atoms involved in each of the contacts you wish to calculate
=149,667
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=0.5153125524520874}
WEIGHT774
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS775
the atoms involved in each of the contacts you wish to calculate
=149,668
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=0.5617125630378723}
WEIGHT775
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS776
the atoms involved in each of the contacts you wish to calculate
=149,699
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=0.5699878334999084}
WEIGHT776
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS777
the atoms involved in each of the contacts you wish to calculate
=149,701
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=0.48607099056243896}
WEIGHT777
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS778
the atoms involved in each of the contacts you wish to calculate
=149,2692
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=0.5220784544944763}
WEIGHT778
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS779
the atoms involved in each of the contacts you wish to calculate
=149,2695
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=0.5918681025505066}
WEIGHT779
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS780
the atoms involved in each of the contacts you wish to calculate
=149,2698
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=0.5204582214355469}
WEIGHT780
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS781
the atoms involved in each of the contacts you wish to calculate
=149,2704
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=0.5899304151535034}
WEIGHT781
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS782
the atoms involved in each of the contacts you wish to calculate
=154,526
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=0.5903313755989075}
WEIGHT782
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS783
the atoms involved in each of the contacts you wish to calculate
=154,577
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=0.49059754610061646}
WEIGHT783
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS784
the atoms involved in each of the contacts you wish to calculate
=154,588
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=0.5942767262458801}
WEIGHT784
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS785
the atoms involved in each of the contacts you wish to calculate
=154,630
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=0.5996265411376953}
WEIGHT785
A weight value for a given contact, by default is 1
=0.001272264631043257
ATOMS786
the atoms involved in each of the contacts you wish to calculate
=154,633
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=0.572318971157074}
WEIGHT786
A weight value for a given contact, by default is 1
=0.001272264631043257
LABEL
a label for the action so that its output can be referenced in the input to other actions
=q
SUM
calculate the sum of all the contacts in the input
NOPBC
ignore the periodic boundary conditions when calculating distances
... CONTACTMAP
CONTACTMAP
Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details
...
ATOMS1
the atoms involved in each of the contacts you wish to calculate
=73,584
SWITCH1
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0207823514938354}
WEIGHT1
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS2
the atoms involved in each of the contacts you wish to calculate
=73,586
SWITCH2
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9759389162063599}
WEIGHT2
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS3
the atoms involved in each of the contacts you wish to calculate
=73,588
SWITCH3
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9939767122268677}
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
=73,590
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=0.8353566527366638}
WEIGHT4
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS5
the atoms involved in each of the contacts you wish to calculate
=73,650
SWITCH5
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9385504126548767}
WEIGHT5
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS6
the atoms involved in each of the contacts you wish to calculate
=73,652
SWITCH6
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9241644144058228}
WEIGHT6
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS7
the atoms involved in each of the contacts you wish to calculate
=73,655
SWITCH7
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9175434708595276}
WEIGHT7
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS8
the atoms involved in each of the contacts you wish to calculate
=73,656
SWITCH8
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8096937537193298}
WEIGHT8
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS9
the atoms involved in each of the contacts you wish to calculate
=73,658
SWITCH9
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8399285078048706}
WEIGHT9
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS10
the atoms involved in each of the contacts you wish to calculate
=73,660
SWITCH10
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9707099795341492}
WEIGHT10
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS11
the atoms involved in each of the contacts you wish to calculate
=73,661
SWITCH11
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0249698162078857}
WEIGHT11
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS12
the atoms involved in each of the contacts you wish to calculate
=73,663
SWITCH12
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0370583534240723}
WEIGHT12
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS13
the atoms involved in each of the contacts you wish to calculate
=73,665
SWITCH13
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0619831085205078}
WEIGHT13
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS14
the atoms involved in each of the contacts you wish to calculate
=73,2623
SWITCH14
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5695807337760925}
WEIGHT14
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS15
the atoms involved in each of the contacts you wish to calculate
=73,2625
SWITCH15
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5300518870353699}
WEIGHT15
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS16
the atoms involved in each of the contacts you wish to calculate
=73,2627
SWITCH16
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4312378168106079}
WEIGHT16
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS17
the atoms involved in each of the contacts you wish to calculate
=73,2631
SWITCH17
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6657891273498535}
WEIGHT17
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS18
the atoms involved in each of the contacts you wish to calculate
=73,2670
SWITCH18
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6585873365402222}
WEIGHT18
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS19
the atoms involved in each of the contacts you wish to calculate
=73,2672
SWITCH19
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5113325119018555}
WEIGHT19
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS20
the atoms involved in each of the contacts you wish to calculate
=73,2675
SWITCH20
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5218219757080078}
WEIGHT20
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS21
the atoms involved in each of the contacts you wish to calculate
=73,2678
SWITCH21
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6089567542076111}
WEIGHT21
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS22
the atoms involved in each of the contacts you wish to calculate
=73,2679
SWITCH22
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6763537526130676}
WEIGHT22
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS23
the atoms involved in each of the contacts you wish to calculate
=73,2680
SWITCH23
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6415490508079529}
WEIGHT23
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS24
the atoms involved in each of the contacts you wish to calculate
=73,2687
SWITCH24
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7476959824562073}
WEIGHT24
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS25
the atoms involved in each of the contacts you wish to calculate
=73,2689
SWITCH25
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7886298894882202}
WEIGHT25
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS26
the atoms involved in each of the contacts you wish to calculate
=73,2692
SWITCH26
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8167563676834106}
WEIGHT26
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS27
the atoms involved in each of the contacts you wish to calculate
=73,2695
SWITCH27
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8933829665184021}
WEIGHT27
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS28
the atoms involved in each of the contacts you wish to calculate
=73,2698
SWITCH28
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9013334512710571}
WEIGHT28
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS29
the atoms involved in each of the contacts you wish to calculate
=73,2700
SWITCH29
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9998608827590942}
WEIGHT29
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS30
the atoms involved in each of the contacts you wish to calculate
=73,2701
SWITCH30
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0936754941940308}
WEIGHT30
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS31
the atoms involved in each of the contacts you wish to calculate
=73,2704
SWITCH31
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0229334831237793}
WEIGHT31
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS32
the atoms involved in each of the contacts you wish to calculate
=75,584
SWITCH32
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.02008855342865}
WEIGHT32
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS33
the atoms involved in each of the contacts you wish to calculate
=75,586
SWITCH33
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.95534747838974}
WEIGHT33
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS34
the atoms involved in each of the contacts you wish to calculate
=75,588
SWITCH34
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.973666250705719}
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
=75,590
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=0.8102474212646484}
WEIGHT35
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS36
the atoms involved in each of the contacts you wish to calculate
=75,650
SWITCH36
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9539626836776733}
WEIGHT36
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS37
the atoms involved in each of the contacts you wish to calculate
=75,652
SWITCH37
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.914581835269928}
WEIGHT37
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS38
the atoms involved in each of the contacts you wish to calculate
=75,655
SWITCH38
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8970362544059753}
WEIGHT38
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS39
the atoms involved in each of the contacts you wish to calculate
=75,656
SWITCH39
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7897898554801941}
WEIGHT39
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS40
the atoms involved in each of the contacts you wish to calculate
=75,658
SWITCH40
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8095752000808716}
WEIGHT40
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS41
the atoms involved in each of the contacts you wish to calculate
=75,660
SWITCH41
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9316920042037964}
WEIGHT41
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS42
the atoms involved in each of the contacts you wish to calculate
=75,661
SWITCH42
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9787600040435791}
WEIGHT42
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS43
the atoms involved in each of the contacts you wish to calculate
=75,663
SWITCH43
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0071018934249878}
WEIGHT43
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS44
the atoms involved in each of the contacts you wish to calculate
=75,665
SWITCH44
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0238184928894043}
WEIGHT44
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS45
the atoms involved in each of the contacts you wish to calculate
=75,2623
SWITCH45
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5463424921035767}
WEIGHT45
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS46
the atoms involved in each of the contacts you wish to calculate
=75,2625
SWITCH46
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5381700396537781}
WEIGHT46
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS47
the atoms involved in each of the contacts you wish to calculate
=75,2627
SWITCH47
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4755480885505676}
WEIGHT47
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS48
the atoms involved in each of the contacts you wish to calculate
=75,2631
SWITCH48
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6863723993301392}
WEIGHT48
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS49
the atoms involved in each of the contacts you wish to calculate
=75,2670
SWITCH49
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5225564241409302}
WEIGHT49
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS50
the atoms involved in each of the contacts you wish to calculate
=75,2672
SWITCH50
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37662312388420105}
WEIGHT50
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS51
the atoms involved in each of the contacts you wish to calculate
=75,2675
SWITCH51
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4034428596496582}
WEIGHT51
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS52
the atoms involved in each of the contacts you wish to calculate
=75,2678
SWITCH52
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48040005564689636}
WEIGHT52
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS53
the atoms involved in each of the contacts you wish to calculate
=75,2679
SWITCH53
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5620198249816895}
WEIGHT53
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS54
the atoms involved in each of the contacts you wish to calculate
=75,2680
SWITCH54
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49693572521209717}
WEIGHT54
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS55
the atoms involved in each of the contacts you wish to calculate
=75,2687
SWITCH55
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.635346531867981}
WEIGHT55
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS56
the atoms involved in each of the contacts you wish to calculate
=75,2689
SWITCH56
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.699663519859314}
WEIGHT56
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS57
the atoms involved in each of the contacts you wish to calculate
=75,2692
SWITCH57
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.74198317527771}
WEIGHT57
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS58
the atoms involved in each of the contacts you wish to calculate
=75,2695
SWITCH58
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8071710467338562}
WEIGHT58
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS59
the atoms involved in each of the contacts you wish to calculate
=75,2698
SWITCH59
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8316332697868347}
WEIGHT59
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS60
the atoms involved in each of the contacts you wish to calculate
=75,2700
SWITCH60
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9282057881355286}
WEIGHT60
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS61
the atoms involved in each of the contacts you wish to calculate
=75,2701
SWITCH61
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0080684423446655}
WEIGHT61
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS62
the atoms involved in each of the contacts you wish to calculate
=75,2704
SWITCH62
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9657996296882629}
WEIGHT62
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS63
the atoms involved in each of the contacts you wish to calculate
=78,584
SWITCH63
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.887342095375061}
WEIGHT63
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS64
the atoms involved in each of the contacts you wish to calculate
=78,586
SWITCH64
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8156580328941345}
WEIGHT64
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS65
the atoms involved in each of the contacts you wish to calculate
=78,588
SWITCH65
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8382583856582642}
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
=78,590
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=0.6692727208137512}
WEIGHT66
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS67
the atoms involved in each of the contacts you wish to calculate
=78,650
SWITCH67
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8519975543022156}
WEIGHT67
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS68
the atoms involved in each of the contacts you wish to calculate
=78,652
SWITCH68
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7995429635047913}
WEIGHT68
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS69
the atoms involved in each of the contacts you wish to calculate
=78,655
SWITCH69
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7911327481269836}
WEIGHT69
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS70
the atoms involved in each of the contacts you wish to calculate
=78,656
SWITCH70
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.696287989616394}
WEIGHT70
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS71
the atoms involved in each of the contacts you wish to calculate
=78,658
SWITCH71
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7300910353660583}
WEIGHT71
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS72
the atoms involved in each of the contacts you wish to calculate
=78,660
SWITCH72
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8499522805213928}
WEIGHT72
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS73
the atoms involved in each of the contacts you wish to calculate
=78,661
SWITCH73
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9108555912971497}
WEIGHT73
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS74
the atoms involved in each of the contacts you wish to calculate
=78,663
SWITCH74
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9014616012573242}
WEIGHT74
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS75
the atoms involved in each of the contacts you wish to calculate
=78,665
SWITCH75
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9288384914398193}
WEIGHT75
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS76
the atoms involved in each of the contacts you wish to calculate
=78,2623
SWITCH76
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5706601738929749}
WEIGHT76
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS77
the atoms involved in each of the contacts you wish to calculate
=78,2625
SWITCH77
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5489060878753662}
WEIGHT77
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS78
the atoms involved in each of the contacts you wish to calculate
=78,2627
SWITCH78
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5168857574462891}
WEIGHT78
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS79
the atoms involved in each of the contacts you wish to calculate
=78,2631
SWITCH79
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6892299652099609}
WEIGHT79
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS80
the atoms involved in each of the contacts you wish to calculate
=78,2670
SWITCH80
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5074860453605652}
WEIGHT80
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS81
the atoms involved in each of the contacts you wish to calculate
=78,2672
SWITCH81
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3855539858341217}
WEIGHT81
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS82
the atoms involved in each of the contacts you wish to calculate
=78,2675
SWITCH82
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4632936120033264}
WEIGHT82
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS83
the atoms involved in each of the contacts you wish to calculate
=78,2678
SWITCH83
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5396860837936401}
WEIGHT83
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS84
the atoms involved in each of the contacts you wish to calculate
=78,2679
SWITCH84
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6401649117469788}
WEIGHT84
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS85
the atoms involved in each of the contacts you wish to calculate
=78,2680
SWITCH85
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5255682468414307}
WEIGHT85
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS86
the atoms involved in each of the contacts you wish to calculate
=78,2687
SWITCH86
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5341854691505432}
WEIGHT86
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS87
the atoms involved in each of the contacts you wish to calculate
=78,2689
SWITCH87
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5978879332542419}
WEIGHT87
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS88
the atoms involved in each of the contacts you wish to calculate
=78,2692
SWITCH88
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6212648153305054}
WEIGHT88
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS89
the atoms involved in each of the contacts you wish to calculate
=78,2695
SWITCH89
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6743842959403992}
WEIGHT89
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS90
the atoms involved in each of the contacts you wish to calculate
=78,2698
SWITCH90
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6897905468940735}
WEIGHT90
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS91
the atoms involved in each of the contacts you wish to calculate
=78,2700
SWITCH91
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7820556163787842}
WEIGHT91
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS92
the atoms involved in each of the contacts you wish to calculate
=78,2701
SWITCH92
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8637980818748474}
WEIGHT92
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS93
the atoms involved in each of the contacts you wish to calculate
=78,2704
SWITCH93
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.817728579044342}
WEIGHT93
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS94
the atoms involved in each of the contacts you wish to calculate
=79,584
SWITCH94
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8389666676521301}
WEIGHT94
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS95
the atoms involved in each of the contacts you wish to calculate
=79,586
SWITCH95
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7739489674568176}
WEIGHT95
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS96
the atoms involved in each of the contacts you wish to calculate
=79,588
SWITCH96
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8190715312957764}
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
=79,590
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=0.6218255162239075}
WEIGHT97
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS98
the atoms involved in each of the contacts you wish to calculate
=79,650
SWITCH98
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7399952411651611}
WEIGHT98
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS99
the atoms involved in each of the contacts you wish to calculate
=79,652
SWITCH99
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6816113591194153}
WEIGHT99
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS100
the atoms involved in each of the contacts you wish to calculate
=79,655
SWITCH100
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.661369800567627}
WEIGHT100
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS101
the atoms involved in each of the contacts you wish to calculate
=79,656
SWITCH101
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5627663731575012}
WEIGHT101
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS102
the atoms involved in each of the contacts you wish to calculate
=79,658
SWITCH102
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5932503342628479}
WEIGHT102
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS103
the atoms involved in each of the contacts you wish to calculate
=79,660
SWITCH103
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7126639485359192}
WEIGHT103
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS104
the atoms involved in each of the contacts you wish to calculate
=79,661
SWITCH104
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7758923172950745}
WEIGHT104
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS105
the atoms involved in each of the contacts you wish to calculate
=79,663
SWITCH105
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7687418460845947}
WEIGHT105
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS106
the atoms involved in each of the contacts you wish to calculate
=79,665
SWITCH106
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.792364776134491}
WEIGHT106
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS107
the atoms involved in each of the contacts you wish to calculate
=79,2623
SWITCH107
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4883851408958435}
WEIGHT107
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS108
the atoms involved in each of the contacts you wish to calculate
=79,2625
SWITCH108
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4583721160888672}
WEIGHT108
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS109
the atoms involved in each of the contacts you wish to calculate
=79,2627
SWITCH109
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45889216661453247}
WEIGHT109
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS110
the atoms involved in each of the contacts you wish to calculate
=79,2631
SWITCH110
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5897974371910095}
WEIGHT110
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS111
the atoms involved in each of the contacts you wish to calculate
=79,2670
SWITCH111
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47073233127593994}
WEIGHT111
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS112
the atoms involved in each of the contacts you wish to calculate
=79,2672
SWITCH112
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37130147218704224}
WEIGHT112
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS113
the atoms involved in each of the contacts you wish to calculate
=79,2675
SWITCH113
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4750472903251648}
WEIGHT113
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS114
the atoms involved in each of the contacts you wish to calculate
=79,2678
SWITCH114
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5751712322235107}
WEIGHT114
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS115
the atoms involved in each of the contacts you wish to calculate
=79,2679
SWITCH115
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.683960497379303}
WEIGHT115
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS116
the atoms involved in each of the contacts you wish to calculate
=79,2680
SWITCH116
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5653483867645264}
WEIGHT116
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS117
the atoms involved in each of the contacts you wish to calculate
=79,2687
SWITCH117
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4333093464374542}
WEIGHT117
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS118
the atoms involved in each of the contacts you wish to calculate
=79,2689
SWITCH118
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4748903810977936}
WEIGHT118
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS119
the atoms involved in each of the contacts you wish to calculate
=79,2692
SWITCH119
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.498318076133728}
WEIGHT119
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS120
the atoms involved in each of the contacts you wish to calculate
=79,2695
SWITCH120
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5692757964134216}
WEIGHT120
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS121
the atoms involved in each of the contacts you wish to calculate
=79,2698
SWITCH121
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5925655364990234}
WEIGHT121
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS122
the atoms involved in each of the contacts you wish to calculate
=79,2700
SWITCH122
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6987974643707275}
WEIGHT122
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS123
the atoms involved in each of the contacts you wish to calculate
=79,2701
SWITCH123
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7840828895568848}
WEIGHT123
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS124
the atoms involved in each of the contacts you wish to calculate
=79,2704
SWITCH124
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7450992465019226}
WEIGHT124
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS125
the atoms involved in each of the contacts you wish to calculate
=81,584
SWITCH125
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7276957631111145}
WEIGHT125
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS126
the atoms involved in each of the contacts you wish to calculate
=81,586
SWITCH126
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6554702520370483}
WEIGHT126
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS127
the atoms involved in each of the contacts you wish to calculate
=81,588
SWITCH127
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7096381783485413}
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
=81,590
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=0.5030259490013123}
WEIGHT128
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS129
the atoms involved in each of the contacts you wish to calculate
=81,650
SWITCH129
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.660815417766571}
WEIGHT129
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS130
the atoms involved in each of the contacts you wish to calculate
=81,652
SWITCH130
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5840497612953186}
WEIGHT130
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS131
the atoms involved in each of the contacts you wish to calculate
=81,655
SWITCH131
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5749348402023315}
WEIGHT131
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS132
the atoms involved in each of the contacts you wish to calculate
=81,656
SWITCH132
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49666285514831543}
WEIGHT132
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS133
the atoms involved in each of the contacts you wish to calculate
=81,658
SWITCH133
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5448539853096008}
WEIGHT133
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS134
the atoms involved in each of the contacts you wish to calculate
=81,660
SWITCH134
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6564555168151855}
WEIGHT134
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS135
the atoms involved in each of the contacts you wish to calculate
=81,661
SWITCH135
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7353154420852661}
WEIGHT135
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS136
the atoms involved in each of the contacts you wish to calculate
=81,663
SWITCH136
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.680155873298645}
WEIGHT136
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS137
the atoms involved in each of the contacts you wish to calculate
=81,665
SWITCH137
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7169783115386963}
WEIGHT137
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS138
the atoms involved in each of the contacts you wish to calculate
=81,2623
SWITCH138
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5673164129257202}
WEIGHT138
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS139
the atoms involved in each of the contacts you wish to calculate
=81,2625
SWITCH139
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5287578701972961}
WEIGHT139
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS140
the atoms involved in each of the contacts you wish to calculate
=81,2627
SWITCH140
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5546619296073914}
WEIGHT140
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS141
the atoms involved in each of the contacts you wish to calculate
=81,2631
SWITCH141
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6405161023139954}
WEIGHT141
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS142
the atoms involved in each of the contacts you wish to calculate
=81,2670
SWITCH142
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5140514373779297}
WEIGHT142
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS143
the atoms involved in each of the contacts you wish to calculate
=81,2672
SWITCH143
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4491288661956787}
WEIGHT143
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS144
the atoms involved in each of the contacts you wish to calculate
=81,2675
SWITCH144
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.575529158115387}
WEIGHT144
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS145
the atoms involved in each of the contacts you wish to calculate
=81,2678
SWITCH145
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6663916707038879}
WEIGHT145
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS146
the atoms involved in each of the contacts you wish to calculate
=81,2679
SWITCH146
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7822620272636414}
WEIGHT146
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS147
the atoms involved in each of the contacts you wish to calculate
=81,2680
SWITCH147
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6355177164077759}
WEIGHT147
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS148
the atoms involved in each of the contacts you wish to calculate
=81,2687
SWITCH148
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3681969940662384}
WEIGHT148
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS149
the atoms involved in each of the contacts you wish to calculate
=81,2689
SWITCH149
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40097489953041077}
WEIGHT149
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS150
the atoms involved in each of the contacts you wish to calculate
=81,2692
SWITCH150
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39221546053886414}
WEIGHT150
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS151
the atoms involved in each of the contacts you wish to calculate
=81,2695
SWITCH151
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44683220982551575}
WEIGHT151
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS152
the atoms involved in each of the contacts you wish to calculate
=81,2698
SWITCH152
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45773574709892273}
WEIGHT152
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS153
the atoms involved in each of the contacts you wish to calculate
=81,2700
SWITCH153
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5613145232200623}
WEIGHT153
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS154
the atoms involved in each of the contacts you wish to calculate
=81,2701
SWITCH154
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6499893069267273}
WEIGHT154
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS155
the atoms involved in each of the contacts you wish to calculate
=81,2704
SWITCH155
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6076850295066833}
WEIGHT155
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS156
the atoms involved in each of the contacts you wish to calculate
=83,584
SWITCH156
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6626378893852234}
WEIGHT156
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS157
the atoms involved in each of the contacts you wish to calculate
=83,586
SWITCH157
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5716477036476135}
WEIGHT157
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS158
the atoms involved in each of the contacts you wish to calculate
=83,588
SWITCH158
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6066747307777405}
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
=83,590
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=0.42518115043640137}
WEIGHT159
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS160
the atoms involved in each of the contacts you wish to calculate
=83,650
SWITCH160
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7106509804725647}
WEIGHT160
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS161
the atoms involved in each of the contacts you wish to calculate
=83,652
SWITCH161
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6270582675933838}
WEIGHT161
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS162
the atoms involved in each of the contacts you wish to calculate
=83,655
SWITCH162
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6427394151687622}
WEIGHT162
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS163
the atoms involved in each of the contacts you wish to calculate
=83,656
SWITCH163
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5878111720085144}
WEIGHT163
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS164
the atoms involved in each of the contacts you wish to calculate
=83,658
SWITCH164
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6509146094322205}
WEIGHT164
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS165
the atoms involved in each of the contacts you wish to calculate
=83,660
SWITCH165
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7546826004981995}
WEIGHT165
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS166
the atoms involved in each of the contacts you wish to calculate
=83,661
SWITCH166
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8414896726608276}
WEIGHT166
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS167
the atoms involved in each of the contacts you wish to calculate
=83,663
SWITCH167
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7463859915733337}
WEIGHT167
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS168
the atoms involved in each of the contacts you wish to calculate
=83,665
SWITCH168
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7977380156517029}
WEIGHT168
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS169
the atoms involved in each of the contacts you wish to calculate
=83,2623
SWITCH169
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7016836404800415}
WEIGHT169
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS170
the atoms involved in each of the contacts you wish to calculate
=83,2625
SWITCH170
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6636209487915039}
WEIGHT170
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS171
the atoms involved in each of the contacts you wish to calculate
=83,2627
SWITCH171
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6791272163391113}
WEIGHT171
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS172
the atoms involved in each of the contacts you wish to calculate
=83,2631
SWITCH172
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7747547030448914}
WEIGHT172
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS173
the atoms involved in each of the contacts you wish to calculate
=83,2670
SWITCH173
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5852016806602478}
WEIGHT173
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS174
the atoms involved in each of the contacts you wish to calculate
=83,2672
SWITCH174
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5251750349998474}
WEIGHT174
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS175
the atoms involved in each of the contacts you wish to calculate
=83,2675
SWITCH175
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6519492864608765}
WEIGHT175
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS176
the atoms involved in each of the contacts you wish to calculate
=83,2678
SWITCH176
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7188921570777893}
WEIGHT176
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS177
the atoms involved in each of the contacts you wish to calculate
=83,2679
SWITCH177
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8348329067230225}
WEIGHT177
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS178
the atoms involved in each of the contacts you wish to calculate
=83,2680
SWITCH178
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6661552786827087}
WEIGHT178
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS179
the atoms involved in each of the contacts you wish to calculate
=83,2687
SWITCH179
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42556920647621155}
WEIGHT179
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS180
the atoms involved in each of the contacts you wish to calculate
=83,2689
SWITCH180
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.477904736995697}
WEIGHT180
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS181
the atoms involved in each of the contacts you wish to calculate
=83,2692
SWITCH181
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44439736008644104}
WEIGHT181
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS182
the atoms involved in each of the contacts you wish to calculate
=83,2695
SWITCH182
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4543248414993286}
WEIGHT182
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS183
the atoms involved in each of the contacts you wish to calculate
=83,2698
SWITCH183
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4393700361251831}
WEIGHT183
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS184
the atoms involved in each of the contacts you wish to calculate
=83,2700
SWITCH184
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.515354335308075}
WEIGHT184
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS185
the atoms involved in each of the contacts you wish to calculate
=83,2701
SWITCH185
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6016994118690491}
WEIGHT185
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS186
the atoms involved in each of the contacts you wish to calculate
=83,2704
SWITCH186
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5452898740768433}
WEIGHT186
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS187
the atoms involved in each of the contacts you wish to calculate
=84,584
SWITCH187
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5641710758209229}
WEIGHT187
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS188
the atoms involved in each of the contacts you wish to calculate
=84,586
SWITCH188
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4594290852546692}
WEIGHT188
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS189
the atoms involved in each of the contacts you wish to calculate
=84,588
SWITCH189
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5039883255958557}
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
=84,590
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=0.3194636404514313}
WEIGHT190
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS191
the atoms involved in each of the contacts you wish to calculate
=84,650
SWITCH191
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6716910600662231}
WEIGHT191
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS192
the atoms involved in each of the contacts you wish to calculate
=84,652
SWITCH192
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5713930726051331}
WEIGHT192
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS193
the atoms involved in each of the contacts you wish to calculate
=84,655
SWITCH193
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6032627820968628}
WEIGHT193
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS194
the atoms involved in each of the contacts you wish to calculate
=84,656
SWITCH194
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5781124234199524}
WEIGHT194
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS195
the atoms involved in each of the contacts you wish to calculate
=84,658
SWITCH195
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6543377041816711}
WEIGHT195
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS196
the atoms involved in each of the contacts you wish to calculate
=84,660
SWITCH196
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7429090738296509}
WEIGHT196
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS197
the atoms involved in each of the contacts you wish to calculate
=84,661
SWITCH197
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8408096432685852}
WEIGHT197
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS198
the atoms involved in each of the contacts you wish to calculate
=84,663
SWITCH198
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6972789764404297}
WEIGHT198
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS199
the atoms involved in each of the contacts you wish to calculate
=84,665
SWITCH199
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7621508836746216}
WEIGHT199
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS200
the atoms involved in each of the contacts you wish to calculate
=84,2623
SWITCH200
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7993284463882446}
WEIGHT200
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS201
the atoms involved in each of the contacts you wish to calculate
=84,2625
SWITCH201
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7566298842430115}
WEIGHT201
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS202
the atoms involved in each of the contacts you wish to calculate
=84,2627
SWITCH202
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7882143259048462}
WEIGHT202
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS203
the atoms involved in each of the contacts you wish to calculate
=84,2631
SWITCH203
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8517116904258728}
WEIGHT203
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS204
the atoms involved in each of the contacts you wish to calculate
=84,2670
SWITCH204
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6684152483940125}
WEIGHT204
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS205
the atoms involved in each of the contacts you wish to calculate
=84,2672
SWITCH205
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6336818933486938}
WEIGHT205
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS206
the atoms involved in each of the contacts you wish to calculate
=84,2675
SWITCH206
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7705087661743164}
WEIGHT206
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS207
the atoms involved in each of the contacts you wish to calculate
=84,2678
SWITCH207
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8325706720352173}
WEIGHT207
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS208
the atoms involved in each of the contacts you wish to calculate
=84,2679
SWITCH208
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.951357901096344}
WEIGHT208
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS209
the atoms involved in each of the contacts you wish to calculate
=84,2680
SWITCH209
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7681983709335327}
WEIGHT209
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS210
the atoms involved in each of the contacts you wish to calculate
=84,2687
SWITCH210
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4334825575351715}
WEIGHT210
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS211
the atoms involved in each of the contacts you wish to calculate
=84,2689
SWITCH211
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4717487394809723}
WEIGHT211
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS212
the atoms involved in each of the contacts you wish to calculate
=84,2692
SWITCH212
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4009949862957001}
WEIGHT212
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS213
the atoms involved in each of the contacts you wish to calculate
=84,2695
SWITCH213
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3724633753299713}
WEIGHT213
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS214
the atoms involved in each of the contacts you wish to calculate
=84,2698
SWITCH214
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.327600359916687}
WEIGHT214
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS215
the atoms involved in each of the contacts you wish to calculate
=84,2700
SWITCH215
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3835701048374176}
WEIGHT215
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS216
the atoms involved in each of the contacts you wish to calculate
=84,2701
SWITCH216
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4734238088130951}
WEIGHT216
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS217
the atoms involved in each of the contacts you wish to calculate
=84,2704
SWITCH217
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40682312846183777}
WEIGHT217
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS218
the atoms involved in each of the contacts you wish to calculate
=86,584
SWITCH218
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8340857625007629}
WEIGHT218
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS219
the atoms involved in each of the contacts you wish to calculate
=86,586
SWITCH219
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7490453720092773}
WEIGHT219
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS220
the atoms involved in each of the contacts you wish to calculate
=86,588
SWITCH220
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7522912621498108}
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
=86,590
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=0.6119616031646729}
WEIGHT221
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS222
the atoms involved in each of the contacts you wish to calculate
=86,650
SWITCH222
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8905701041221619}
WEIGHT222
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS223
the atoms involved in each of the contacts you wish to calculate
=86,652
SWITCH223
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8305865526199341}
WEIGHT223
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS224
the atoms involved in each of the contacts you wish to calculate
=86,655
SWITCH224
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.840754508972168}
WEIGHT224
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS225
the atoms involved in each of the contacts you wish to calculate
=86,656
SWITCH225
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7631474733352661}
WEIGHT225
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS226
the atoms involved in each of the contacts you wish to calculate
=86,658
SWITCH226
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8114715218544006}
WEIGHT226
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS227
the atoms involved in each of the contacts you wish to calculate
=86,660
SWITCH227
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9269519448280334}
WEIGHT227
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS228
the atoms involved in each of the contacts you wish to calculate
=86,661
SWITCH228
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9975895285606384}
WEIGHT228
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS229
the atoms involved in each of the contacts you wish to calculate
=86,663
SWITCH229
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9513727426528931}
WEIGHT229
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS230
the atoms involved in each of the contacts you wish to calculate
=86,665
SWITCH230
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9914444088935852}
WEIGHT230
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS231
the atoms involved in each of the contacts you wish to calculate
=86,2623
SWITCH231
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7043337821960449}
WEIGHT231
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS232
the atoms involved in each of the contacts you wish to calculate
=86,2625
SWITCH232
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6798242926597595}
WEIGHT232
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS233
the atoms involved in each of the contacts you wish to calculate
=86,2627
SWITCH233
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.649070143699646}
WEIGHT233
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS234
the atoms involved in each of the contacts you wish to calculate
=86,2631
SWITCH234
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8154760003089905}
WEIGHT234
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS235
the atoms involved in each of the contacts you wish to calculate
=86,2670
SWITCH235
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5786440372467041}
WEIGHT235
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS236
the atoms involved in each of the contacts you wish to calculate
=86,2672
SWITCH236
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4714941680431366}
WEIGHT236
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS237
the atoms involved in each of the contacts you wish to calculate
=86,2675
SWITCH237
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5553250312805176}
WEIGHT237
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS238
the atoms involved in each of the contacts you wish to calculate
=86,2678
SWITCH238
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.603242814540863}
WEIGHT238
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS239
the atoms involved in each of the contacts you wish to calculate
=86,2679
SWITCH239
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7035395503044128}
WEIGHT239
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS240
the atoms involved in each of the contacts you wish to calculate
=86,2680
SWITCH240
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.561893880367279}
WEIGHT240
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS241
the atoms involved in each of the contacts you wish to calculate
=86,2687
SWITCH241
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5737917423248291}
WEIGHT241
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS242
the atoms involved in each of the contacts you wish to calculate
=86,2689
SWITCH242
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6506557464599609}
WEIGHT242
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS243
the atoms involved in each of the contacts you wish to calculate
=86,2692
SWITCH243
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6540802121162415}
WEIGHT243
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS244
the atoms involved in each of the contacts you wish to calculate
=86,2695
SWITCH244
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.677808940410614}
WEIGHT244
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS245
the atoms involved in each of the contacts you wish to calculate
=86,2698
SWITCH245
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6762543320655823}
WEIGHT245
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS246
the atoms involved in each of the contacts you wish to calculate
=86,2700
SWITCH246
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7482271194458008}
WEIGHT246
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS247
the atoms involved in each of the contacts you wish to calculate
=86,2701
SWITCH247
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8264477252960205}
WEIGHT247
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS248
the atoms involved in each of the contacts you wish to calculate
=86,2704
SWITCH248
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7710998058319092}
WEIGHT248
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS249
the atoms involved in each of the contacts you wish to calculate
=88,584
SWITCH249
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.722584068775177}
WEIGHT249
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS250
the atoms involved in each of the contacts you wish to calculate
=88,586
SWITCH250
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6265859007835388}
WEIGHT250
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS251
the atoms involved in each of the contacts you wish to calculate
=88,588
SWITCH251
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6319659352302551}
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
=88,590
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=0.49149349331855774}
WEIGHT252
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS253
the atoms involved in each of the contacts you wish to calculate
=88,650
SWITCH253
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8263533115386963}
WEIGHT253
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS254
the atoms involved in each of the contacts you wish to calculate
=88,652
SWITCH254
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7532628774642944}
WEIGHT254
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS255
the atoms involved in each of the contacts you wish to calculate
=88,655
SWITCH255
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7753212451934814}
WEIGHT255
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS256
the atoms involved in each of the contacts you wish to calculate
=88,656
SWITCH256
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7163525223731995}
WEIGHT256
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS257
the atoms involved in each of the contacts you wish to calculate
=88,658
SWITCH257
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7773705720901489}
WEIGHT257
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS258
the atoms involved in each of the contacts you wish to calculate
=88,660
SWITCH258
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8852134943008423}
WEIGHT258
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS259
the atoms involved in each of the contacts you wish to calculate
=88,661
SWITCH259
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9670998454093933}
WEIGHT259
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS260
the atoms involved in each of the contacts you wish to calculate
=88,663
SWITCH260
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.882206916809082}
WEIGHT260
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS261
the atoms involved in each of the contacts you wish to calculate
=88,665
SWITCH261
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.933173656463623}
WEIGHT261
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS262
the atoms involved in each of the contacts you wish to calculate
=88,2623
SWITCH262
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7609344124794006}
WEIGHT262
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS263
the atoms involved in each of the contacts you wish to calculate
=88,2625
SWITCH263
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7287756204605103}
WEIGHT263
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS264
the atoms involved in each of the contacts you wish to calculate
=88,2627
SWITCH264
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7192571759223938}
WEIGHT264
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS265
the atoms involved in each of the contacts you wish to calculate
=88,2631
SWITCH265
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8526136875152588}
WEIGHT265
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS266
the atoms involved in each of the contacts you wish to calculate
=88,2670
SWITCH266
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6147701144218445}
WEIGHT266
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS267
the atoms involved in each of the contacts you wish to calculate
=88,2672
SWITCH267
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5349056124687195}
WEIGHT267
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS268
the atoms involved in each of the contacts you wish to calculate
=88,2675
SWITCH268
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6430685520172119}
WEIGHT268
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS269
the atoms involved in each of the contacts you wish to calculate
=88,2678
SWITCH269
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6904876828193665}
WEIGHT269
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS270
the atoms involved in each of the contacts you wish to calculate
=88,2679
SWITCH270
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7990514636039734}
WEIGHT270
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS271
the atoms involved in each of the contacts you wish to calculate
=88,2680
SWITCH271
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6323718428611755}
WEIGHT271
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS272
the atoms involved in each of the contacts you wish to calculate
=88,2687
SWITCH272
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5274791717529297}
WEIGHT272
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS273
the atoms involved in each of the contacts you wish to calculate
=88,2689
SWITCH273
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.599891722202301}
WEIGHT273
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS274
the atoms involved in each of the contacts you wish to calculate
=88,2692
SWITCH274
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5785033106803894}
WEIGHT274
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS275
the atoms involved in each of the contacts you wish to calculate
=88,2695
SWITCH275
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.580222487449646}
WEIGHT275
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS276
the atoms involved in each of the contacts you wish to calculate
=88,2698
SWITCH276
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5632504224777222}
WEIGHT276
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS277
the atoms involved in each of the contacts you wish to calculate
=88,2700
SWITCH277
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6232262849807739}
WEIGHT277
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS278
the atoms involved in each of the contacts you wish to calculate
=88,2701
SWITCH278
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7020905017852783}
WEIGHT278
A weight value for a given contact, by default is 1
=0.0035842293906810036
ATOMS279
the atoms involved in each of the contacts you wish to calculate
=88,2704
SWITCH279
The switching functions to use for each of the contacts in your map
={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6406059265136719}
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
=1.8913875818252563
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
=-0.8886736035346985
ATOMS3
the atoms involved in each of the alpha-beta variables you wish to calculate
=23,25,27,35
REFERENCE3
the reference values for each of the torsional angles
=-1.1935278177261353
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
=-0.6273089647293091
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
=-1.1674542427062988
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
=-0.7660514712333679
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
=-1.048201322555542
ATOMS8
the atoms involved in each of the alpha-beta variables you wish to calculate
=52,54,69,71
REFERENCE8
the reference values for each of the torsional angles
=-0.7810516953468323
ATOMS9
the atoms involved in each of the alpha-beta variables you wish to calculate
=69,71,73,90
REFERENCE9
the reference values for each of the torsional angles
=-1.1226352453231812
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
=-0.7955121994018555
ATOMS11
the atoms involved in each of the alpha-beta variables you wish to calculate
=90,92,94,105
REFERENCE11
the reference values for each of the torsional angles
=-1.1006927490234375
ATOMS12
the atoms involved in each of the alpha-beta variables you wish to calculate
=92,94,105,107
REFERENCE12
the reference values for each of the torsional angles
=-0.6953843832015991
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
=-1.0538326501846313
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
=-0.9149022698402405
ATOMS15
the atoms involved in each of the alpha-beta variables you wish to calculate
=117,119,121,136
REFERENCE15
the reference values for each of the torsional angles
=-1.1459203958511353
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
=-0.7590166926383972
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_cry_c36m