Project ID: plumID:22.012
Source: Ayala_et_al_2022_PLUMED/plumed_DNAJB1_H244A.dat
Originally used with PLUMED version: 2.6
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 onv2.9
tested onmaster
###ATOMS of DNAJB1 CHAIN B, predicted to be involved in binding###

V238:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4298-4313 L239:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4314-4332 K240:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4333-4354 D241:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4355-4366 K242:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4367-4388 P243:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4389-4402 H244:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4403-4412 N245:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4413-4426 I246:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4427-4445 F247:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4446-4465 K248:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4466-4487 R249:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4488-4511
###ATOMS of DNAJB1 CHAIN B, predicted to be involved in binding###
D167:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3143-3154 L168:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3155-3173 R169:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3174-3197 V170:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3198-3213 S171:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3214-3224 L172:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3225-3243 E173:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3244-3258 E174:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3259-3273 I175:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3274-3292 E214:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3937-3951 G215:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3952-3958 T216:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3959-3972 P274:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4864-4877 L276:
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=4892-4910
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
=V238,D167
REFERENCE1
A reference value for a given contact, by default is 0
=0.96
ATOMS2
the atoms involved in each of the contacts you wish to calculate
=L239,D167
REFERENCE2
A reference value for a given contact, by default is 0
=0.71
ATOMS3
the atoms involved in each of the contacts you wish to calculate
=K240,D167
REFERENCE3
A reference value for a given contact, by default is 0
=0.98
ATOMS4
the atoms involved in each of the contacts you wish to calculate
=D241,D167
REFERENCE4
A reference value for a given contact, by default is 0
=0.53
ATOMS5
the atoms involved in each of the contacts you wish to calculate
=K242,D167
REFERENCE5
A reference value for a given contact, by default is 0
=0.42
ATOMS6
the atoms involved in each of the contacts you wish to calculate
=P243,D167
REFERENCE6
A reference value for a given contact, by default is 0
=0.15
ATOMS7
the atoms involved in each of the contacts you wish to calculate
=H244,D167
REFERENCE7
A reference value for a given contact, by default is 0
=0.03
ATOMS8
the atoms involved in each of the contacts you wish to calculate
=N245,D167
REFERENCE8
A reference value for a given contact, by default is 0
=0.02
ATOMS9
the atoms involved in each of the contacts you wish to calculate
=I246,D167
REFERENCE9
A reference value for a given contact, by default is 0
=0.01
ATOMS10
the atoms involved in each of the contacts you wish to calculate
=F247,D167
REFERENCE10
A reference value for a given contact, by default is 0
=0.01
ATOMS11
the atoms involved in each of the contacts you wish to calculate
=K248,D167
REFERENCE11
A reference value for a given contact, by default is 0
=0.01
ATOMS12
the atoms involved in each of the contacts you wish to calculate
=R249,D167
REFERENCE12
A reference value for a given contact, by default is 0
=0.06
ATOMS13
the atoms involved in each of the contacts you wish to calculate
=V238,L168
REFERENCE13
A reference value for a given contact, by default is 0
=0.91
ATOMS14
the atoms involved in each of the contacts you wish to calculate
=L239,L168
REFERENCE14
A reference value for a given contact, by default is 0
=0.98
ATOMS15
the atoms involved in each of the contacts you wish to calculate
=K240,L168
REFERENCE15
A reference value for a given contact, by default is 0
=0.87
ATOMS16
the atoms involved in each of the contacts you wish to calculate
=D241,L168
REFERENCE16
A reference value for a given contact, by default is 0
=0.57
ATOMS17
the atoms involved in each of the contacts you wish to calculate
=K242,L168
REFERENCE17
A reference value for a given contact, by default is 0
=0.54
ATOMS18
the atoms involved in each of the contacts you wish to calculate
=P243,L168
REFERENCE18
A reference value for a given contact, by default is 0
=0.15
ATOMS19
the atoms involved in each of the contacts you wish to calculate
=H244,L168
REFERENCE19
A reference value for a given contact, by default is 0
=0.05
ATOMS20
the atoms involved in each of the contacts you wish to calculate
=N245,L168
REFERENCE20
A reference value for a given contact, by default is 0
=0.02
ATOMS21
the atoms involved in each of the contacts you wish to calculate
=I246,L168
REFERENCE21
A reference value for a given contact, by default is 0
=0.01
ATOMS22
the atoms involved in each of the contacts you wish to calculate
=F247,L168
REFERENCE22
A reference value for a given contact, by default is 0
=0.01
ATOMS23
the atoms involved in each of the contacts you wish to calculate
=K248,L168
REFERENCE23
A reference value for a given contact, by default is 0
=0.01
ATOMS24
the atoms involved in each of the contacts you wish to calculate
=R249,L168
REFERENCE24
A reference value for a given contact, by default is 0
=0.1
ATOMS25
the atoms involved in each of the contacts you wish to calculate
=V238,R169
REFERENCE25
A reference value for a given contact, by default is 0
=0.69
ATOMS26
the atoms involved in each of the contacts you wish to calculate
=L239,R169
REFERENCE26
A reference value for a given contact, by default is 0
=0.79
ATOMS27
the atoms involved in each of the contacts you wish to calculate
=K240,R169
REFERENCE27
A reference value for a given contact, by default is 0
=0.99
ATOMS28
the atoms involved in each of the contacts you wish to calculate
=D241,R169
REFERENCE28
A reference value for a given contact, by default is 0
=0.98
ATOMS29
the atoms involved in each of the contacts you wish to calculate
=K242,R169
REFERENCE29
A reference value for a given contact, by default is 0
=0.96
ATOMS30
the atoms involved in each of the contacts you wish to calculate
=P243,R169
REFERENCE30
A reference value for a given contact, by default is 0
=0.77
ATOMS31
the atoms involved in each of the contacts you wish to calculate
=H244,R169
REFERENCE31
A reference value for a given contact, by default is 0
=0.16
ATOMS32
the atoms involved in each of the contacts you wish to calculate
=N245,R169
REFERENCE32
A reference value for a given contact, by default is 0
=0.09
ATOMS33
the atoms involved in each of the contacts you wish to calculate
=I246,R169
REFERENCE33
A reference value for a given contact, by default is 0
=0.02
ATOMS34
the atoms involved in each of the contacts you wish to calculate
=F247,R169
REFERENCE34
A reference value for a given contact, by default is 0
=0.04
ATOMS35
the atoms involved in each of the contacts you wish to calculate
=K248,R169
REFERENCE35
A reference value for a given contact, by default is 0
=0.06
ATOMS36
the atoms involved in each of the contacts you wish to calculate
=R249,R169
REFERENCE36
A reference value for a given contact, by default is 0
=0.29
ATOMS37
the atoms involved in each of the contacts you wish to calculate
=V238,V170
REFERENCE37
A reference value for a given contact, by default is 0
=0.35
ATOMS38
the atoms involved in each of the contacts you wish to calculate
=L239,V170
REFERENCE38
A reference value for a given contact, by default is 0
=0.95
ATOMS39
the atoms involved in each of the contacts you wish to calculate
=K240,V170
REFERENCE39
A reference value for a given contact, by default is 0
=0.63
ATOMS40
the atoms involved in each of the contacts you wish to calculate
=D241,V170
REFERENCE40
A reference value for a given contact, by default is 0
=0.9
ATOMS41
the atoms involved in each of the contacts you wish to calculate
=K242,V170
REFERENCE41
A reference value for a given contact, by default is 0
=0.92
ATOMS42
the atoms involved in each of the contacts you wish to calculate
=P243,V170
REFERENCE42
A reference value for a given contact, by default is 0
=0.53
ATOMS43
the atoms involved in each of the contacts you wish to calculate
=H244,V170
REFERENCE43
A reference value for a given contact, by default is 0
=0.4
ATOMS44
the atoms involved in each of the contacts you wish to calculate
=N245,V170
REFERENCE44
A reference value for a given contact, by default is 0
=0.12
ATOMS45
the atoms involved in each of the contacts you wish to calculate
=I246,V170
REFERENCE45
A reference value for a given contact, by default is 0
=0.05
ATOMS46
the atoms involved in each of the contacts you wish to calculate
=F247,V170
REFERENCE46
A reference value for a given contact, by default is 0
=0.1
ATOMS47
the atoms involved in each of the contacts you wish to calculate
=K248,V170
REFERENCE47
A reference value for a given contact, by default is 0
=0.06
ATOMS48
the atoms involved in each of the contacts you wish to calculate
=R249,V170
REFERENCE48
A reference value for a given contact, by default is 0
=0.53
ATOMS49
the atoms involved in each of the contacts you wish to calculate
=V238,S171
REFERENCE49
A reference value for a given contact, by default is 0
=0.07
ATOMS50
the atoms involved in each of the contacts you wish to calculate
=L239,S171
REFERENCE50
A reference value for a given contact, by default is 0
=0.42
ATOMS51
the atoms involved in each of the contacts you wish to calculate
=K240,S171
REFERENCE51
A reference value for a given contact, by default is 0
=0.23
ATOMS52
the atoms involved in each of the contacts you wish to calculate
=D241,S171
REFERENCE52
A reference value for a given contact, by default is 0
=0.84
ATOMS53
the atoms involved in each of the contacts you wish to calculate
=K242,S171
REFERENCE53
A reference value for a given contact, by default is 0
=0.98
ATOMS54
the atoms involved in each of the contacts you wish to calculate
=P243,S171
REFERENCE54
A reference value for a given contact, by default is 0
=0.87
ATOMS55
the atoms involved in each of the contacts you wish to calculate
=H244,S171
REFERENCE55
A reference value for a given contact, by default is 0
=0.96
ATOMS56
the atoms involved in each of the contacts you wish to calculate
=N245,S171
REFERENCE56
A reference value for a given contact, by default is 0
=0.6
ATOMS57
the atoms involved in each of the contacts you wish to calculate
=I246,S171
REFERENCE57
A reference value for a given contact, by default is 0
=0.29
ATOMS58
the atoms involved in each of the contacts you wish to calculate
=F247,S171
REFERENCE58
A reference value for a given contact, by default is 0
=0.5
ATOMS59
the atoms involved in each of the contacts you wish to calculate
=K248,S171
REFERENCE59
A reference value for a given contact, by default is 0
=0.21
ATOMS60
the atoms involved in each of the contacts you wish to calculate
=R249,S171
REFERENCE60
A reference value for a given contact, by default is 0
=0.73
ATOMS61
the atoms involved in each of the contacts you wish to calculate
=V238,L172
REFERENCE61
A reference value for a given contact, by default is 0
=0.03
ATOMS62
the atoms involved in each of the contacts you wish to calculate
=L239,L172
REFERENCE62
A reference value for a given contact, by default is 0
=0.2
ATOMS63
the atoms involved in each of the contacts you wish to calculate
=K240,L172
REFERENCE63
A reference value for a given contact, by default is 0
=0.11
ATOMS64
the atoms involved in each of the contacts you wish to calculate
=D241,L172
REFERENCE64
A reference value for a given contact, by default is 0
=0.74
ATOMS65
the atoms involved in each of the contacts you wish to calculate
=K242,L172
REFERENCE65
A reference value for a given contact, by default is 0
=0.63
ATOMS66
the atoms involved in each of the contacts you wish to calculate
=P243,L172
REFERENCE66
A reference value for a given contact, by default is 0
=0.78
ATOMS67
the atoms involved in each of the contacts you wish to calculate
=H244,L172
REFERENCE67
A reference value for a given contact, by default is 0
=0.99
ATOMS68
the atoms involved in each of the contacts you wish to calculate
=N245,L172
REFERENCE68
A reference value for a given contact, by default is 0
=0.56
ATOMS69
the atoms involved in each of the contacts you wish to calculate
=I246,L172
REFERENCE69
A reference value for a given contact, by default is 0
=0.55
ATOMS70
the atoms involved in each of the contacts you wish to calculate
=F247,L172
REFERENCE70
A reference value for a given contact, by default is 0
=0.95
ATOMS71
the atoms involved in each of the contacts you wish to calculate
=K248,L172
REFERENCE71
A reference value for a given contact, by default is 0
=0.66
ATOMS72
the atoms involved in each of the contacts you wish to calculate
=R249,L172
REFERENCE72
A reference value for a given contact, by default is 0
=0.98
ATOMS73
the atoms involved in each of the contacts you wish to calculate
=V238,E173
REFERENCE73
A reference value for a given contact, by default is 0
=0.02
ATOMS74
the atoms involved in each of the contacts you wish to calculate
=L239,E173
REFERENCE74
A reference value for a given contact, by default is 0
=0.1
ATOMS75
the atoms involved in each of the contacts you wish to calculate
=K240,E173
REFERENCE75
A reference value for a given contact, by default is 0
=0.04
ATOMS76
the atoms involved in each of the contacts you wish to calculate
=D241,E173
REFERENCE76
A reference value for a given contact, by default is 0
=0.23
ATOMS77
the atoms involved in each of the contacts you wish to calculate
=K242,E173
REFERENCE77
A reference value for a given contact, by default is 0
=0.45
ATOMS78
the atoms involved in each of the contacts you wish to calculate
=P243,E173
REFERENCE78
A reference value for a given contact, by default is 0
=0.34
ATOMS79
the atoms involved in each of the contacts you wish to calculate
=H244,E173
REFERENCE79
A reference value for a given contact, by default is 0
=0.95
ATOMS80
the atoms involved in each of the contacts you wish to calculate
=N245,E173
REFERENCE80
A reference value for a given contact, by default is 0
=0.51
ATOMS81
the atoms involved in each of the contacts you wish to calculate
=I246,E173
REFERENCE81
A reference value for a given contact, by default is 0
=0.51
ATOMS82
the atoms involved in each of the contacts you wish to calculate
=F247,E173
REFERENCE82
A reference value for a given contact, by default is 0
=0.8
ATOMS83
the atoms involved in each of the contacts you wish to calculate
=K248,E173
REFERENCE83
A reference value for a given contact, by default is 0
=0.14
ATOMS84
the atoms involved in each of the contacts you wish to calculate
=R249,E173
REFERENCE84
A reference value for a given contact, by default is 0
=0.45
ATOMS85
the atoms involved in each of the contacts you wish to calculate
=V238,E174
REFERENCE85
A reference value for a given contact, by default is 0
=0.04
ATOMS86
the atoms involved in each of the contacts you wish to calculate
=L239,E174
REFERENCE86
A reference value for a given contact, by default is 0
=0.32
ATOMS87
the atoms involved in each of the contacts you wish to calculate
=K240,E174
REFERENCE87
A reference value for a given contact, by default is 0
=0.08
ATOMS88
the atoms involved in each of the contacts you wish to calculate
=D241,E174
REFERENCE88
A reference value for a given contact, by default is 0
=0.33
ATOMS89
the atoms involved in each of the contacts you wish to calculate
=K242,E174
REFERENCE89
A reference value for a given contact, by default is 0
=0.62
ATOMS90
the atoms involved in each of the contacts you wish to calculate
=P243,E174
REFERENCE90
A reference value for a given contact, by default is 0
=0.27
ATOMS91
the atoms involved in each of the contacts you wish to calculate
=H244,E174
REFERENCE91
A reference value for a given contact, by default is 0
=0.63
ATOMS92
the atoms involved in each of the contacts you wish to calculate
=N245,E174
REFERENCE92
A reference value for a given contact, by default is 0
=0.21
ATOMS93
the atoms involved in each of the contacts you wish to calculate
=I246,E174
REFERENCE93
A reference value for a given contact, by default is 0
=0.12
ATOMS94
the atoms involved in each of the contacts you wish to calculate
=F247,E174
REFERENCE94
A reference value for a given contact, by default is 0
=0.24
ATOMS95
the atoms involved in each of the contacts you wish to calculate
=K248,E174
REFERENCE95
A reference value for a given contact, by default is 0
=0.05
ATOMS96
the atoms involved in each of the contacts you wish to calculate
=R249,E174
REFERENCE96
A reference value for a given contact, by default is 0
=0.31
ATOMS97
the atoms involved in each of the contacts you wish to calculate
=V238,I175
REFERENCE97
A reference value for a given contact, by default is 0
=0.12
ATOMS98
the atoms involved in each of the contacts you wish to calculate
=L239,I175
REFERENCE98
A reference value for a given contact, by default is 0
=0.81
ATOMS99
the atoms involved in each of the contacts you wish to calculate
=K240,I175
REFERENCE99
A reference value for a given contact, by default is 0
=0.23
ATOMS100
the atoms involved in each of the contacts you wish to calculate
=D241,I175
REFERENCE100
A reference value for a given contact, by default is 0
=0.69
ATOMS101
the atoms involved in each of the contacts you wish to calculate
=K242,I175
REFERENCE101
A reference value for a given contact, by default is 0
=0.42
ATOMS102
the atoms involved in each of the contacts you wish to calculate
=P243,I175
REFERENCE102
A reference value for a given contact, by default is 0
=0.26
ATOMS103
the atoms involved in each of the contacts you wish to calculate
=H244,I175
REFERENCE103
A reference value for a given contact, by default is 0
=0.41
ATOMS104
the atoms involved in each of the contacts you wish to calculate
=N245,I175
REFERENCE104
A reference value for a given contact, by default is 0
=0.08
ATOMS105
the atoms involved in each of the contacts you wish to calculate
=I246,I175
REFERENCE105
A reference value for a given contact, by default is 0
=0.06
ATOMS106
the atoms involved in each of the contacts you wish to calculate
=F247,I175
REFERENCE106
A reference value for a given contact, by default is 0
=0.21
ATOMS107
the atoms involved in each of the contacts you wish to calculate
=K248,I175
REFERENCE107
A reference value for a given contact, by default is 0
=0.09
ATOMS108
the atoms involved in each of the contacts you wish to calculate
=R249,I175
REFERENCE108
A reference value for a given contact, by default is 0
=0.84
ATOMS109
the atoms involved in each of the contacts you wish to calculate
=V238,E214
REFERENCE109
A reference value for a given contact, by default is 0
=0.71
ATOMS110
the atoms involved in each of the contacts you wish to calculate
=L239,E214
REFERENCE110
A reference value for a given contact, by default is 0
=0.95
ATOMS111
the atoms involved in each of the contacts you wish to calculate
=K240,E214
REFERENCE111
A reference value for a given contact, by default is 0
=0.95
ATOMS112
the atoms involved in each of the contacts you wish to calculate
=D241,E214
REFERENCE112
A reference value for a given contact, by default is 0
=0.96
ATOMS113
the atoms involved in each of the contacts you wish to calculate
=K242,E214
REFERENCE113
A reference value for a given contact, by default is 0
=0.24
ATOMS114
the atoms involved in each of the contacts you wish to calculate
=P243,E214
REFERENCE114
A reference value for a given contact, by default is 0
=0.25
ATOMS115
the atoms involved in each of the contacts you wish to calculate
=H244,E214
REFERENCE115
A reference value for a given contact, by default is 0
=0.07
ATOMS116
the atoms involved in each of the contacts you wish to calculate
=N245,E214
REFERENCE116
A reference value for a given contact, by default is 0
=0.02
ATOMS117
the atoms involved in each of the contacts you wish to calculate
=I246,E214
REFERENCE117
A reference value for a given contact, by default is 0
=0.01
ATOMS118
the atoms involved in each of the contacts you wish to calculate
=F247,E214
REFERENCE118
A reference value for a given contact, by default is 0
=0.04
ATOMS119
the atoms involved in each of the contacts you wish to calculate
=K248,E214
REFERENCE119
A reference value for a given contact, by default is 0
=0.08
ATOMS120
the atoms involved in each of the contacts you wish to calculate
=R249,E214
REFERENCE120
A reference value for a given contact, by default is 0
=0.78
ATOMS121
the atoms involved in each of the contacts you wish to calculate
=V238,G215
REFERENCE121
A reference value for a given contact, by default is 0
=0.96
ATOMS122
the atoms involved in each of the contacts you wish to calculate
=L239,G215
REFERENCE122
A reference value for a given contact, by default is 0
=0.97
ATOMS123
the atoms involved in each of the contacts you wish to calculate
=K240,G215
REFERENCE123
A reference value for a given contact, by default is 0
=0.93
ATOMS124
the atoms involved in each of the contacts you wish to calculate
=D241,G215
REFERENCE124
A reference value for a given contact, by default is 0
=0.58
ATOMS125
the atoms involved in each of the contacts you wish to calculate
=K242,G215
REFERENCE125
A reference value for a given contact, by default is 0
=0.09
ATOMS126
the atoms involved in each of the contacts you wish to calculate
=P243,G215
REFERENCE126
A reference value for a given contact, by default is 0
=0.06
ATOMS127
the atoms involved in each of the contacts you wish to calculate
=H244,G215
REFERENCE127
A reference value for a given contact, by default is 0
=0.02
ATOMS128
the atoms involved in each of the contacts you wish to calculate
=N245,G215
REFERENCE128
A reference value for a given contact, by default is 0
=0.01
ATOMS129
the atoms involved in each of the contacts you wish to calculate
=I246,G215
REFERENCE129
A reference value for a given contact, by default is 0
=0
ATOMS130
the atoms involved in each of the contacts you wish to calculate
=F247,G215
REFERENCE130
A reference value for a given contact, by default is 0
=0.01
ATOMS131
the atoms involved in each of the contacts you wish to calculate
=K248,G215
REFERENCE131
A reference value for a given contact, by default is 0
=0.02
ATOMS132
the atoms involved in each of the contacts you wish to calculate
=R249,G215
REFERENCE132
A reference value for a given contact, by default is 0
=0.22
ATOMS133
the atoms involved in each of the contacts you wish to calculate
=V238,T216
REFERENCE133
A reference value for a given contact, by default is 0
=0.9
ATOMS134
the atoms involved in each of the contacts you wish to calculate
=L239,T216
REFERENCE134
A reference value for a given contact, by default is 0
=0.99
ATOMS135
the atoms involved in each of the contacts you wish to calculate
=K240,T216
REFERENCE135
A reference value for a given contact, by default is 0
=0.63
ATOMS136
the atoms involved in each of the contacts you wish to calculate
=D241,T216
REFERENCE136
A reference value for a given contact, by default is 0
=0.31
ATOMS137
the atoms involved in each of the contacts you wish to calculate
=K242,T216
REFERENCE137
A reference value for a given contact, by default is 0
=0.06
ATOMS138
the atoms involved in each of the contacts you wish to calculate
=P243,T216
REFERENCE138
A reference value for a given contact, by default is 0
=0.04
ATOMS139
the atoms involved in each of the contacts you wish to calculate
=H244,T216
REFERENCE139
A reference value for a given contact, by default is 0
=0.02
ATOMS140
the atoms involved in each of the contacts you wish to calculate
=N245,T216
REFERENCE140
A reference value for a given contact, by default is 0
=0.01
ATOMS141
the atoms involved in each of the contacts you wish to calculate
=I246,T216
REFERENCE141
A reference value for a given contact, by default is 0
=0
ATOMS142
the atoms involved in each of the contacts you wish to calculate
=F247,T216
REFERENCE142
A reference value for a given contact, by default is 0
=0.01
ATOMS143
the atoms involved in each of the contacts you wish to calculate
=K248,T216
REFERENCE143
A reference value for a given contact, by default is 0
=0.01
ATOMS144
the atoms involved in each of the contacts you wish to calculate
=R249,T216
REFERENCE144
A reference value for a given contact, by default is 0
=0.15
ATOMS145
the atoms involved in each of the contacts you wish to calculate
=V238,P274
REFERENCE145
A reference value for a given contact, by default is 0
=0
ATOMS146
the atoms involved in each of the contacts you wish to calculate
=L239,P274
REFERENCE146
A reference value for a given contact, by default is 0
=0
ATOMS147
the atoms involved in each of the contacts you wish to calculate
=K240,P274
REFERENCE147
A reference value for a given contact, by default is 0
=0
ATOMS148
the atoms involved in each of the contacts you wish to calculate
=D241,P274
REFERENCE148
A reference value for a given contact, by default is 0
=0.01
ATOMS149
the atoms involved in each of the contacts you wish to calculate
=K242,P274
REFERENCE149
A reference value for a given contact, by default is 0
=0.02
ATOMS150
the atoms involved in each of the contacts you wish to calculate
=P243,P274
REFERENCE150
A reference value for a given contact, by default is 0
=0.04
ATOMS151
the atoms involved in each of the contacts you wish to calculate
=H244,P274
REFERENCE151
A reference value for a given contact, by default is 0
=0.43
ATOMS152
the atoms involved in each of the contacts you wish to calculate
=N245,P274
REFERENCE152
A reference value for a given contact, by default is 0
=0.28
ATOMS153
the atoms involved in each of the contacts you wish to calculate
=I246,P274
REFERENCE153
A reference value for a given contact, by default is 0
=0.88
ATOMS154
the atoms involved in each of the contacts you wish to calculate
=F247,P274
REFERENCE154
A reference value for a given contact, by default is 0
=0.89
ATOMS155
the atoms involved in each of the contacts you wish to calculate
=K248,P274
REFERENCE155
A reference value for a given contact, by default is 0
=0.12
ATOMS156
the atoms involved in each of the contacts you wish to calculate
=R249,P274
REFERENCE156
A reference value for a given contact, by default is 0
=0.05
ATOMS157
the atoms involved in each of the contacts you wish to calculate
=V238,L276
REFERENCE157
A reference value for a given contact, by default is 0
=0.01
ATOMS158
the atoms involved in each of the contacts you wish to calculate
=L239,L276
REFERENCE158
A reference value for a given contact, by default is 0
=0.03
ATOMS159
the atoms involved in each of the contacts you wish to calculate
=K240,L276
REFERENCE159
A reference value for a given contact, by default is 0
=0.01
ATOMS160
the atoms involved in each of the contacts you wish to calculate
=D241,L276
REFERENCE160
A reference value for a given contact, by default is 0
=0.08
ATOMS161
the atoms involved in each of the contacts you wish to calculate
=K242,L276
REFERENCE161
A reference value for a given contact, by default is 0
=0.09
ATOMS162
the atoms involved in each of the contacts you wish to calculate
=P243,L276
REFERENCE162
A reference value for a given contact, by default is 0
=0.11
ATOMS163
the atoms involved in each of the contacts you wish to calculate
=H244,L276
REFERENCE163
A reference value for a given contact, by default is 0
=0.74
ATOMS164
the atoms involved in each of the contacts you wish to calculate
=N245,L276
REFERENCE164
A reference value for a given contact, by default is 0
=0.22
ATOMS165
the atoms involved in each of the contacts you wish to calculate
=I246,L276
REFERENCE165
A reference value for a given contact, by default is 0
=0.51
ATOMS166
the atoms involved in each of the contacts you wish to calculate
=F247,L276
REFERENCE166
A reference value for a given contact, by default is 0
=0.93
ATOMS167
the atoms involved in each of the contacts you wish to calculate
=K248,L276
REFERENCE167
A reference value for a given contact, by default is 0
=0.16
ATOMS168
the atoms involved in each of the contacts you wish to calculate
=R249,L276
REFERENCE168
A reference value for a given contact, by default is 0
=0.36
ATOMS169
the atoms involved in each of the contacts you wish to calculate
=V238,V238
REFERENCE169
A reference value for a given contact, by default is 0
=1
ATOMS170
the atoms involved in each of the contacts you wish to calculate
=L239,V238
REFERENCE170
A reference value for a given contact, by default is 0
=0.95
ATOMS171
the atoms involved in each of the contacts you wish to calculate
=K240,V238
REFERENCE171
A reference value for a given contact, by default is 0
=0.98
ATOMS172
the atoms involved in each of the contacts you wish to calculate
=D241,V238
REFERENCE172
A reference value for a given contact, by default is 0
=0.38
ATOMS173
the atoms involved in each of the contacts you wish to calculate
=K242,V238
REFERENCE173
A reference value for a given contact, by default is 0
=0.12
ATOMS174
the atoms involved in each of the contacts you wish to calculate
=P243,V238
REFERENCE174
A reference value for a given contact, by default is 0
=0.05
ATOMS175
the atoms involved in each of the contacts you wish to calculate
=H244,V238
REFERENCE175
A reference value for a given contact, by default is 0
=0.01
ATOMS176
the atoms involved in each of the contacts you wish to calculate
=N245,V238
REFERENCE176
A reference value for a given contact, by default is 0
=0.01
ATOMS177
the atoms involved in each of the contacts you wish to calculate
=I246,V238
REFERENCE177
A reference value for a given contact, by default is 0
=0
ATOMS178
the atoms involved in each of the contacts you wish to calculate
=F247,V238
REFERENCE178
A reference value for a given contact, by default is 0
=0.01
ATOMS179
the atoms involved in each of the contacts you wish to calculate
=K248,V238
REFERENCE179
A reference value for a given contact, by default is 0
=0.01
ATOMS180
the atoms involved in each of the contacts you wish to calculate
=R249,V238
REFERENCE180
A reference value for a given contact, by default is 0
=0.06
ATOMS181
the atoms involved in each of the contacts you wish to calculate
=V238,L239
REFERENCE181
A reference value for a given contact, by default is 0
=0.95
ATOMS182
the atoms involved in each of the contacts you wish to calculate
=L239,L239
REFERENCE182
A reference value for a given contact, by default is 0
=1
ATOMS183
the atoms involved in each of the contacts you wish to calculate
=K240,L239
REFERENCE183
A reference value for a given contact, by default is 0
=0.93
ATOMS184
the atoms involved in each of the contacts you wish to calculate
=D241,L239
REFERENCE184
A reference value for a given contact, by default is 0
=0.81
ATOMS185
the atoms involved in each of the contacts you wish to calculate
=K242,L239
REFERENCE185
A reference value for a given contact, by default is 0
=0.34
ATOMS186
the atoms involved in each of the contacts you wish to calculate
=P243,L239
REFERENCE186
A reference value for a given contact, by default is 0
=0.15
ATOMS187
the atoms involved in each of the contacts you wish to calculate
=H244,L239
REFERENCE187
A reference value for a given contact, by default is 0
=0.06
ATOMS188
the atoms involved in each of the contacts you wish to calculate
=N245,L239
REFERENCE188
A reference value for a given contact, by default is 0
=0.02
ATOMS189
the atoms involved in each of the contacts you wish to calculate
=I246,L239
REFERENCE189
A reference value for a given contact, by default is 0
=0.01
ATOMS190
the atoms involved in each of the contacts you wish to calculate
=F247,L239
REFERENCE190
A reference value for a given contact, by default is 0
=0.02
ATOMS191
the atoms involved in each of the contacts you wish to calculate
=K248,L239
REFERENCE191
A reference value for a given contact, by default is 0
=0.02
ATOMS192
the atoms involved in each of the contacts you wish to calculate
=R249,L239
REFERENCE192
A reference value for a given contact, by default is 0
=0.34
ATOMS193
the atoms involved in each of the contacts you wish to calculate
=V238,K240
REFERENCE193
A reference value for a given contact, by default is 0
=0.98
ATOMS194
the atoms involved in each of the contacts you wish to calculate
=L239,K240
REFERENCE194
A reference value for a given contact, by default is 0
=0.93
ATOMS195
the atoms involved in each of the contacts you wish to calculate
=K240,K240
REFERENCE195
A reference value for a given contact, by default is 0
=1
ATOMS196
the atoms involved in each of the contacts you wish to calculate
=D241,K240
REFERENCE196
A reference value for a given contact, by default is 0
=0.94
ATOMS197
the atoms involved in each of the contacts you wish to calculate
=K242,K240
REFERENCE197
A reference value for a given contact, by default is 0
=0.49
ATOMS198
the atoms involved in each of the contacts you wish to calculate
=P243,K240
REFERENCE198
A reference value for a given contact, by default is 0
=0.32
ATOMS199
the atoms involved in each of the contacts you wish to calculate
=H244,K240
REFERENCE199
A reference value for a given contact, by default is 0
=0.05
ATOMS200
the atoms involved in each of the contacts you wish to calculate
=N245,K240
REFERENCE200
A reference value for a given contact, by default is 0
=0.02
ATOMS201
the atoms involved in each of the contacts you wish to calculate
=I246,K240
REFERENCE201
A reference value for a given contact, by default is 0
=0.01
ATOMS202
the atoms involved in each of the contacts you wish to calculate
=F247,K240
REFERENCE202
A reference value for a given contact, by default is 0
=0.02
ATOMS203
the atoms involved in each of the contacts you wish to calculate
=K248,K240
REFERENCE203
A reference value for a given contact, by default is 0
=0.04
ATOMS204
the atoms involved in each of the contacts you wish to calculate
=R249,K240
REFERENCE204
A reference value for a given contact, by default is 0
=0.25
ATOMS205
the atoms involved in each of the contacts you wish to calculate
=V238,D241
REFERENCE205
A reference value for a given contact, by default is 0
=0.38
ATOMS206
the atoms involved in each of the contacts you wish to calculate
=L239,D241
REFERENCE206
A reference value for a given contact, by default is 0
=0.81
ATOMS207
the atoms involved in each of the contacts you wish to calculate
=K240,D241
REFERENCE207
A reference value for a given contact, by default is 0
=0.94
ATOMS208
the atoms involved in each of the contacts you wish to calculate
=D241,D241
REFERENCE208
A reference value for a given contact, by default is 0
=1
ATOMS209
the atoms involved in each of the contacts you wish to calculate
=K242,D241
REFERENCE209
A reference value for a given contact, by default is 0
=0.93
ATOMS210
the atoms involved in each of the contacts you wish to calculate
=P243,D241
REFERENCE210
A reference value for a given contact, by default is 0
=0.95
ATOMS211
the atoms involved in each of the contacts you wish to calculate
=H244,D241
REFERENCE211
A reference value for a given contact, by default is 0
=0.44
ATOMS212
the atoms involved in each of the contacts you wish to calculate
=N245,D241
REFERENCE212
A reference value for a given contact, by default is 0
=0.16
ATOMS213
the atoms involved in each of the contacts you wish to calculate
=I246,D241
REFERENCE213
A reference value for a given contact, by default is 0
=0.06
ATOMS214
the atoms involved in each of the contacts you wish to calculate
=F247,D241
REFERENCE214
A reference value for a given contact, by default is 0
=0.14
ATOMS215
the atoms involved in each of the contacts you wish to calculate
=K248,D241
REFERENCE215
A reference value for a given contact, by default is 0
=0.31
ATOMS216
the atoms involved in each of the contacts you wish to calculate
=R249,D241
REFERENCE216
A reference value for a given contact, by default is 0
=0.94
ATOMS217
the atoms involved in each of the contacts you wish to calculate
=V238,K242
REFERENCE217
A reference value for a given contact, by default is 0
=0.12
ATOMS218
the atoms involved in each of the contacts you wish to calculate
=L239,K242
REFERENCE218
A reference value for a given contact, by default is 0
=0.34
ATOMS219
the atoms involved in each of the contacts you wish to calculate
=K240,K242
REFERENCE219
A reference value for a given contact, by default is 0
=0.49
ATOMS220
the atoms involved in each of the contacts you wish to calculate
=D241,K242
REFERENCE220
A reference value for a given contact, by default is 0
=0.93
ATOMS221
the atoms involved in each of the contacts you wish to calculate
=K242,K242
REFERENCE221
A reference value for a given contact, by default is 0
=1
ATOMS222
the atoms involved in each of the contacts you wish to calculate
=P243,K242
REFERENCE222
A reference value for a given contact, by default is 0
=0.99
ATOMS223
the atoms involved in each of the contacts you wish to calculate
=H244,K242
REFERENCE223
A reference value for a given contact, by default is 0
=0.77
ATOMS224
the atoms involved in each of the contacts you wish to calculate
=N245,K242
REFERENCE224
A reference value for a given contact, by default is 0
=0.62
ATOMS225
the atoms involved in each of the contacts you wish to calculate
=I246,K242
REFERENCE225
A reference value for a given contact, by default is 0
=0.15
ATOMS226
the atoms involved in each of the contacts you wish to calculate
=F247,K242
REFERENCE226
A reference value for a given contact, by default is 0
=0.17
ATOMS227
the atoms involved in each of the contacts you wish to calculate
=K248,K242
REFERENCE227
A reference value for a given contact, by default is 0
=0.18
ATOMS228
the atoms involved in each of the contacts you wish to calculate
=R249,K242
REFERENCE228
A reference value for a given contact, by default is 0
=0.41
ATOMS229
the atoms involved in each of the contacts you wish to calculate
=V238,P243
REFERENCE229
A reference value for a given contact, by default is 0
=0.05
ATOMS230
the atoms involved in each of the contacts you wish to calculate
=L239,P243
REFERENCE230
A reference value for a given contact, by default is 0
=0.15
ATOMS231
the atoms involved in each of the contacts you wish to calculate
=K240,P243
REFERENCE231
A reference value for a given contact, by default is 0
=0.32
ATOMS232
the atoms involved in each of the contacts you wish to calculate
=D241,P243
REFERENCE232
A reference value for a given contact, by default is 0
=0.95
ATOMS233
the atoms involved in each of the contacts you wish to calculate
=K242,P243
REFERENCE233
A reference value for a given contact, by default is 0
=0.99
ATOMS234
the atoms involved in each of the contacts you wish to calculate
=P243,P243
REFERENCE234
A reference value for a given contact, by default is 0
=1
ATOMS235
the atoms involved in each of the contacts you wish to calculate
=H244,P243
REFERENCE235
A reference value for a given contact, by default is 0
=0.92
ATOMS236
the atoms involved in each of the contacts you wish to calculate
=N245,P243
REFERENCE236
A reference value for a given contact, by default is 0
=0.84
ATOMS237
the atoms involved in each of the contacts you wish to calculate
=I246,P243
REFERENCE237
A reference value for a given contact, by default is 0
=0.36
ATOMS238
the atoms involved in each of the contacts you wish to calculate
=F247,P243
REFERENCE238
A reference value for a given contact, by default is 0
=0.41
ATOMS239
the atoms involved in each of the contacts you wish to calculate
=K248,P243
REFERENCE239
A reference value for a given contact, by default is 0
=0.72
ATOMS240
the atoms involved in each of the contacts you wish to calculate
=R249,P243
REFERENCE240
A reference value for a given contact, by default is 0
=0.71
ATOMS241
the atoms involved in each of the contacts you wish to calculate
=V238,H244
REFERENCE241
A reference value for a given contact, by default is 0
=0.01
ATOMS242
the atoms involved in each of the contacts you wish to calculate
=L239,H244
REFERENCE242
A reference value for a given contact, by default is 0
=0.06
ATOMS243
the atoms involved in each of the contacts you wish to calculate
=K240,H244
REFERENCE243
A reference value for a given contact, by default is 0
=0.05
ATOMS244
the atoms involved in each of the contacts you wish to calculate
=D241,H244
REFERENCE244
A reference value for a given contact, by default is 0
=0.44
ATOMS245
the atoms involved in each of the contacts you wish to calculate
=K242,H244
REFERENCE245
A reference value for a given contact, by default is 0
=0.77
ATOMS246
the atoms involved in each of the contacts you wish to calculate
=P243,H244
REFERENCE246
A reference value for a given contact, by default is 0
=0.92
ATOMS247
the atoms involved in each of the contacts you wish to calculate
=H244,H244
REFERENCE247
A reference value for a given contact, by default is 0
=1
ATOMS248
the atoms involved in each of the contacts you wish to calculate
=N245,H244
REFERENCE248
A reference value for a given contact, by default is 0
=0.99
ATOMS249
the atoms involved in each of the contacts you wish to calculate
=I246,H244
REFERENCE249
A reference value for a given contact, by default is 0
=0.96
ATOMS250
the atoms involved in each of the contacts you wish to calculate
=F247,H244
REFERENCE250
A reference value for a given contact, by default is 0
=0.98
ATOMS251
the atoms involved in each of the contacts you wish to calculate
=K248,H244
REFERENCE251
A reference value for a given contact, by default is 0
=0.73
ATOMS252
the atoms involved in each of the contacts you wish to calculate
=R249,H244
REFERENCE252
A reference value for a given contact, by default is 0
=0.65
ATOMS253
the atoms involved in each of the contacts you wish to calculate
=V238,N245
REFERENCE253
A reference value for a given contact, by default is 0
=0.01
ATOMS254
the atoms involved in each of the contacts you wish to calculate
=L239,N245
REFERENCE254
A reference value for a given contact, by default is 0
=0.02
ATOMS255
the atoms involved in each of the contacts you wish to calculate
=K240,N245
REFERENCE255
A reference value for a given contact, by default is 0
=0.02
ATOMS256
the atoms involved in each of the contacts you wish to calculate
=D241,N245
REFERENCE256
A reference value for a given contact, by default is 0
=0.16
ATOMS257
the atoms involved in each of the contacts you wish to calculate
=K242,N245
REFERENCE257
A reference value for a given contact, by default is 0
=0.62
ATOMS258
the atoms involved in each of the contacts you wish to calculate
=P243,N245
REFERENCE258
A reference value for a given contact, by default is 0
=0.84
ATOMS259
the atoms involved in each of the contacts you wish to calculate
=H244,N245
REFERENCE259
A reference value for a given contact, by default is 0
=0.99
ATOMS260
the atoms involved in each of the contacts you wish to calculate
=N245,N245
REFERENCE260
A reference value for a given contact, by default is 0
=1
ATOMS261
the atoms involved in each of the contacts you wish to calculate
=I246,N245
REFERENCE261
A reference value for a given contact, by default is 0
=0.98
ATOMS262
the atoms involved in each of the contacts you wish to calculate
=F247,N245
REFERENCE262
A reference value for a given contact, by default is 0
=0.79
ATOMS263
the atoms involved in each of the contacts you wish to calculate
=K248,N245
REFERENCE263
A reference value for a given contact, by default is 0
=0.5
ATOMS264
the atoms involved in each of the contacts you wish to calculate
=R249,N245
REFERENCE264
A reference value for a given contact, by default is 0
=0.17
ATOMS265
the atoms involved in each of the contacts you wish to calculate
=V238,I246
REFERENCE265
A reference value for a given contact, by default is 0
=0
ATOMS266
the atoms involved in each of the contacts you wish to calculate
=L239,I246
REFERENCE266
A reference value for a given contact, by default is 0
=0.01
ATOMS267
the atoms involved in each of the contacts you wish to calculate
=K240,I246
REFERENCE267
A reference value for a given contact, by default is 0
=0.01
ATOMS268
the atoms involved in each of the contacts you wish to calculate
=D241,I246
REFERENCE268
A reference value for a given contact, by default is 0
=0.06
ATOMS269
the atoms involved in each of the contacts you wish to calculate
=K242,I246
REFERENCE269
A reference value for a given contact, by default is 0
=0.15
ATOMS270
the atoms involved in each of the contacts you wish to calculate
=P243,I246
REFERENCE270
A reference value for a given contact, by default is 0
=0.36
ATOMS271
the atoms involved in each of the contacts you wish to calculate
=H244,I246
REFERENCE271
A reference value for a given contact, by default is 0
=0.96
ATOMS272
the atoms involved in each of the contacts you wish to calculate
=N245,I246
REFERENCE272
A reference value for a given contact, by default is 0
=0.98
ATOMS273
the atoms involved in each of the contacts you wish to calculate
=I246,I246
REFERENCE273
A reference value for a given contact, by default is 0
=1
ATOMS274
the atoms involved in each of the contacts you wish to calculate
=F247,I246
REFERENCE274
A reference value for a given contact, by default is 0
=0.99
ATOMS275
the atoms involved in each of the contacts you wish to calculate
=K248,I246
REFERENCE275
A reference value for a given contact, by default is 0
=0.61
ATOMS276
the atoms involved in each of the contacts you wish to calculate
=R249,I246
REFERENCE276
A reference value for a given contact, by default is 0
=0.15
ATOMS277
the atoms involved in each of the contacts you wish to calculate
=V238,F247
REFERENCE277
A reference value for a given contact, by default is 0
=0.01
ATOMS278
the atoms involved in each of the contacts you wish to calculate
=L239,F247
REFERENCE278
A reference value for a given contact, by default is 0
=0.02
ATOMS279
the atoms involved in each of the contacts you wish to calculate
=K240,F247
REFERENCE279
A reference value for a given contact, by default is 0
=0.02
ATOMS280
the atoms involved in each of the contacts you wish to calculate
=D241,F247
REFERENCE280
A reference value for a given contact, by default is 0
=0.14
ATOMS281
the atoms involved in each of the contacts you wish to calculate
=K242,F247
REFERENCE281
A reference value for a given contact, by default is 0
=0.17
ATOMS282
the atoms involved in each of the contacts you wish to calculate
=P243,F247
REFERENCE282
A reference value for a given contact, by default is 0
=0.41
ATOMS283
the atoms involved in each of the contacts you wish to calculate
=H244,F247
REFERENCE283
A reference value for a given contact, by default is 0
=0.98
ATOMS284
the atoms involved in each of the contacts you wish to calculate
=N245,F247
REFERENCE284
A reference value for a given contact, by default is 0
=0.79
ATOMS285
the atoms involved in each of the contacts you wish to calculate
=I246,F247
REFERENCE285
A reference value for a given contact, by default is 0
=0.99
ATOMS286
the atoms involved in each of the contacts you wish to calculate
=F247,F247
REFERENCE286
A reference value for a given contact, by default is 0
=1
ATOMS287
the atoms involved in each of the contacts you wish to calculate
=K248,F247
REFERENCE287
A reference value for a given contact, by default is 0
=0.84
ATOMS288
the atoms involved in each of the contacts you wish to calculate
=R249,F247
REFERENCE288
A reference value for a given contact, by default is 0
=0.56
ATOMS289
the atoms involved in each of the contacts you wish to calculate
=V238,K248
REFERENCE289
A reference value for a given contact, by default is 0
=0.01
ATOMS290
the atoms involved in each of the contacts you wish to calculate
=L239,K248
REFERENCE290
A reference value for a given contact, by default is 0
=0.02
ATOMS291
the atoms involved in each of the contacts you wish to calculate
=K240,K248
REFERENCE291
A reference value for a given contact, by default is 0
=0.04
ATOMS292
the atoms involved in each of the contacts you wish to calculate
=D241,K248
REFERENCE292
A reference value for a given contact, by default is 0
=0.31
ATOMS293
the atoms involved in each of the contacts you wish to calculate
=K242,K248
REFERENCE293
A reference value for a given contact, by default is 0
=0.18
ATOMS294
the atoms involved in each of the contacts you wish to calculate
=P243,K248
REFERENCE294
A reference value for a given contact, by default is 0
=0.72
ATOMS295
the atoms involved in each of the contacts you wish to calculate
=H244,K248
REFERENCE295
A reference value for a given contact, by default is 0
=0.73
ATOMS296
the atoms involved in each of the contacts you wish to calculate
=N245,K248
REFERENCE296
A reference value for a given contact, by default is 0
=0.5
ATOMS297
the atoms involved in each of the contacts you wish to calculate
=I246,K248
REFERENCE297
A reference value for a given contact, by default is 0
=0.61
ATOMS298
the atoms involved in each of the contacts you wish to calculate
=F247,K248
REFERENCE298
A reference value for a given contact, by default is 0
=0.84
ATOMS299
the atoms involved in each of the contacts you wish to calculate
=K248,K248
REFERENCE299
A reference value for a given contact, by default is 0
=1
ATOMS300
the atoms involved in each of the contacts you wish to calculate
=R249,K248
REFERENCE300
A reference value for a given contact, by default is 0
=0.75
ATOMS301
the atoms involved in each of the contacts you wish to calculate
=V238,R249
REFERENCE301
A reference value for a given contact, by default is 0
=0.06
ATOMS302
the atoms involved in each of the contacts you wish to calculate
=L239,R249
REFERENCE302
A reference value for a given contact, by default is 0
=0.34
ATOMS303
the atoms involved in each of the contacts you wish to calculate
=K240,R249
REFERENCE303
A reference value for a given contact, by default is 0
=0.25
ATOMS304
the atoms involved in each of the contacts you wish to calculate
=D241,R249
REFERENCE304
A reference value for a given contact, by default is 0
=0.94
ATOMS305
the atoms involved in each of the contacts you wish to calculate
=K242,R249
REFERENCE305
A reference value for a given contact, by default is 0
=0.41
ATOMS306
the atoms involved in each of the contacts you wish to calculate
=P243,R249
REFERENCE306
A reference value for a given contact, by default is 0
=0.71
ATOMS307
the atoms involved in each of the contacts you wish to calculate
=H244,R249
REFERENCE307
A reference value for a given contact, by default is 0
=0.65
ATOMS308
the atoms involved in each of the contacts you wish to calculate
=N245,R249
REFERENCE308
A reference value for a given contact, by default is 0
=0.17
ATOMS309
the atoms involved in each of the contacts you wish to calculate
=I246,R249
REFERENCE309
A reference value for a given contact, by default is 0
=0.15
ATOMS310
the atoms involved in each of the contacts you wish to calculate
=F247,R249
REFERENCE310
A reference value for a given contact, by default is 0
=0.56
ATOMS311
the atoms involved in each of the contacts you wish to calculate
=K248,R249
REFERENCE311
A reference value for a given contact, by default is 0
=0.75
ATOMS312
the atoms involved in each of the contacts you wish to calculate
=R249,R249
REFERENCE312
A reference value for a given contact, by default is 0
=1
SWITCH
The switching functions to use for each of the contacts in your map
={RATIONAL R_0=1}
LABEL
a label for the action so that its output can be referenced in the input to other actions
=contact ... CONTACTMAP
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=contact
FILE
the name of the file on which to output these quantities
=contact_map