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 onv2.10
tested onmaster
###ATOMS of DNAJB1 CHAIN B, predicted to be involved in binding###

V238: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4298-4313
L239: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4314-4332
K240: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4333-4354
D241: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4355-4366
K242: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4367-4388
P243: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4389-4402
H244: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4403-4412
N245: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4413-4426
I246: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4427-4445
F247: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4446-4465
K248: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4466-4487
R249: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe 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: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3143-3154
L168: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3155-3173
R169: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3174-3197
V170: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3198-3213
S171: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3214-3224
L172: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3225-3243
E173: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3244-3258
E174: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3259-3273
I175: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3274-3292
E214: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3937-3951
G215: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3952-3958
T216: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3959-3972
P274: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4864-4877
L276: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=4892-4910

CONTACTMAPCalculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details ...
ATOMS1the atoms involved in each of the contacts you wish to calculate=V238,D167 REFERENCE1A reference value for a given contact, by default is 0=0.96
ATOMS2the atoms involved in each of the contacts you wish to calculate=L239,D167 REFERENCE2A reference value for a given contact, by default is 0=0.71
ATOMS3the atoms involved in each of the contacts you wish to calculate=K240,D167 REFERENCE3A reference value for a given contact, by default is 0=0.98
ATOMS4the atoms involved in each of the contacts you wish to calculate=D241,D167 REFERENCE4A reference value for a given contact, by default is 0=0.53
ATOMS5the atoms involved in each of the contacts you wish to calculate=K242,D167 REFERENCE5A reference value for a given contact, by default is 0=0.42
ATOMS6the atoms involved in each of the contacts you wish to calculate=P243,D167 REFERENCE6A reference value for a given contact, by default is 0=0.15 
ATOMS7the atoms involved in each of the contacts you wish to calculate=H244,D167 REFERENCE7A reference value for a given contact, by default is 0=0.03 
ATOMS8the atoms involved in each of the contacts you wish to calculate=N245,D167 REFERENCE8A reference value for a given contact, by default is 0=0.02 
ATOMS9the atoms involved in each of the contacts you wish to calculate=I246,D167 REFERENCE9A reference value for a given contact, by default is 0=0.01 
ATOMS10the atoms involved in each of the contacts you wish to calculate=F247,D167 REFERENCE10A reference value for a given contact, by default is 0=0.01 
ATOMS11the atoms involved in each of the contacts you wish to calculate=K248,D167 REFERENCE11A reference value for a given contact, by default is 0=0.01 
ATOMS12the atoms involved in each of the contacts you wish to calculate=R249,D167 REFERENCE12A reference value for a given contact, by default is 0=0.06
ATOMS13the atoms involved in each of the contacts you wish to calculate=V238,L168 REFERENCE13A reference value for a given contact, by default is 0=0.91 
ATOMS14the atoms involved in each of the contacts you wish to calculate=L239,L168 REFERENCE14A reference value for a given contact, by default is 0=0.98 
ATOMS15the atoms involved in each of the contacts you wish to calculate=K240,L168 REFERENCE15A reference value for a given contact, by default is 0=0.87 
ATOMS16the atoms involved in each of the contacts you wish to calculate=D241,L168 REFERENCE16A reference value for a given contact, by default is 0=0.57 
ATOMS17the atoms involved in each of the contacts you wish to calculate=K242,L168 REFERENCE17A reference value for a given contact, by default is 0=0.54 
ATOMS18the atoms involved in each of the contacts you wish to calculate=P243,L168 REFERENCE18A reference value for a given contact, by default is 0=0.15 
ATOMS19the atoms involved in each of the contacts you wish to calculate=H244,L168 REFERENCE19A reference value for a given contact, by default is 0=0.05 
ATOMS20the atoms involved in each of the contacts you wish to calculate=N245,L168 REFERENCE20A reference value for a given contact, by default is 0=0.02 
ATOMS21the atoms involved in each of the contacts you wish to calculate=I246,L168 REFERENCE21A reference value for a given contact, by default is 0=0.01 
ATOMS22the atoms involved in each of the contacts you wish to calculate=F247,L168 REFERENCE22A reference value for a given contact, by default is 0=0.01 
ATOMS23the atoms involved in each of the contacts you wish to calculate=K248,L168 REFERENCE23A reference value for a given contact, by default is 0=0.01 
ATOMS24the atoms involved in each of the contacts you wish to calculate=R249,L168 REFERENCE24A reference value for a given contact, by default is 0=0.1
ATOMS25the atoms involved in each of the contacts you wish to calculate=V238,R169 REFERENCE25A reference value for a given contact, by default is 0=0.69 
ATOMS26the atoms involved in each of the contacts you wish to calculate=L239,R169 REFERENCE26A reference value for a given contact, by default is 0=0.79 
ATOMS27the atoms involved in each of the contacts you wish to calculate=K240,R169 REFERENCE27A reference value for a given contact, by default is 0=0.99 
ATOMS28the atoms involved in each of the contacts you wish to calculate=D241,R169 REFERENCE28A reference value for a given contact, by default is 0=0.98 
ATOMS29the atoms involved in each of the contacts you wish to calculate=K242,R169 REFERENCE29A reference value for a given contact, by default is 0=0.96 
ATOMS30the atoms involved in each of the contacts you wish to calculate=P243,R169 REFERENCE30A reference value for a given contact, by default is 0=0.77 
ATOMS31the atoms involved in each of the contacts you wish to calculate=H244,R169 REFERENCE31A reference value for a given contact, by default is 0=0.16 
ATOMS32the atoms involved in each of the contacts you wish to calculate=N245,R169 REFERENCE32A reference value for a given contact, by default is 0=0.09 
ATOMS33the atoms involved in each of the contacts you wish to calculate=I246,R169 REFERENCE33A reference value for a given contact, by default is 0=0.02 
ATOMS34the atoms involved in each of the contacts you wish to calculate=F247,R169 REFERENCE34A reference value for a given contact, by default is 0=0.04 
ATOMS35the atoms involved in each of the contacts you wish to calculate=K248,R169 REFERENCE35A reference value for a given contact, by default is 0=0.06 
ATOMS36the atoms involved in each of the contacts you wish to calculate=R249,R169 REFERENCE36A reference value for a given contact, by default is 0=0.29
ATOMS37the atoms involved in each of the contacts you wish to calculate=V238,V170 REFERENCE37A reference value for a given contact, by default is 0=0.35 
ATOMS38the atoms involved in each of the contacts you wish to calculate=L239,V170 REFERENCE38A reference value for a given contact, by default is 0=0.95 
ATOMS39the atoms involved in each of the contacts you wish to calculate=K240,V170 REFERENCE39A reference value for a given contact, by default is 0=0.63 
ATOMS40the atoms involved in each of the contacts you wish to calculate=D241,V170 REFERENCE40A reference value for a given contact, by default is 0=0.9  
ATOMS41the atoms involved in each of the contacts you wish to calculate=K242,V170 REFERENCE41A reference value for a given contact, by default is 0=0.92 
ATOMS42the atoms involved in each of the contacts you wish to calculate=P243,V170 REFERENCE42A reference value for a given contact, by default is 0=0.53 
ATOMS43the atoms involved in each of the contacts you wish to calculate=H244,V170 REFERENCE43A reference value for a given contact, by default is 0=0.4  
ATOMS44the atoms involved in each of the contacts you wish to calculate=N245,V170 REFERENCE44A reference value for a given contact, by default is 0=0.12 
ATOMS45the atoms involved in each of the contacts you wish to calculate=I246,V170 REFERENCE45A reference value for a given contact, by default is 0=0.05 
ATOMS46the atoms involved in each of the contacts you wish to calculate=F247,V170 REFERENCE46A reference value for a given contact, by default is 0=0.1  
ATOMS47the atoms involved in each of the contacts you wish to calculate=K248,V170 REFERENCE47A reference value for a given contact, by default is 0=0.06
ATOMS48the atoms involved in each of the contacts you wish to calculate=R249,V170 REFERENCE48A reference value for a given contact, by default is 0=0.53
ATOMS49the atoms involved in each of the contacts you wish to calculate=V238,S171 REFERENCE49A reference value for a given contact, by default is 0=0.07 
ATOMS50the atoms involved in each of the contacts you wish to calculate=L239,S171 REFERENCE50A reference value for a given contact, by default is 0=0.42 
ATOMS51the atoms involved in each of the contacts you wish to calculate=K240,S171 REFERENCE51A reference value for a given contact, by default is 0=0.23 
ATOMS52the atoms involved in each of the contacts you wish to calculate=D241,S171 REFERENCE52A reference value for a given contact, by default is 0=0.84 
ATOMS53the atoms involved in each of the contacts you wish to calculate=K242,S171 REFERENCE53A reference value for a given contact, by default is 0=0.98 
ATOMS54the atoms involved in each of the contacts you wish to calculate=P243,S171 REFERENCE54A reference value for a given contact, by default is 0=0.87 
ATOMS55the atoms involved in each of the contacts you wish to calculate=H244,S171 REFERENCE55A reference value for a given contact, by default is 0=0.96 
ATOMS56the atoms involved in each of the contacts you wish to calculate=N245,S171 REFERENCE56A reference value for a given contact, by default is 0=0.6  
ATOMS57the atoms involved in each of the contacts you wish to calculate=I246,S171 REFERENCE57A reference value for a given contact, by default is 0=0.29 
ATOMS58the atoms involved in each of the contacts you wish to calculate=F247,S171 REFERENCE58A reference value for a given contact, by default is 0=0.5  
ATOMS59the atoms involved in each of the contacts you wish to calculate=K248,S171 REFERENCE59A reference value for a given contact, by default is 0=0.21 
ATOMS60the atoms involved in each of the contacts you wish to calculate=R249,S171 REFERENCE60A reference value for a given contact, by default is 0=0.73
ATOMS61the atoms involved in each of the contacts you wish to calculate=V238,L172 REFERENCE61A reference value for a given contact, by default is 0=0.03 
ATOMS62the atoms involved in each of the contacts you wish to calculate=L239,L172 REFERENCE62A reference value for a given contact, by default is 0=0.2  
ATOMS63the atoms involved in each of the contacts you wish to calculate=K240,L172 REFERENCE63A reference value for a given contact, by default is 0=0.11 
ATOMS64the atoms involved in each of the contacts you wish to calculate=D241,L172 REFERENCE64A reference value for a given contact, by default is 0=0.74 
ATOMS65the atoms involved in each of the contacts you wish to calculate=K242,L172 REFERENCE65A reference value for a given contact, by default is 0=0.63 
ATOMS66the atoms involved in each of the contacts you wish to calculate=P243,L172 REFERENCE66A reference value for a given contact, by default is 0=0.78 
ATOMS67the atoms involved in each of the contacts you wish to calculate=H244,L172 REFERENCE67A reference value for a given contact, by default is 0=0.99 
ATOMS68the atoms involved in each of the contacts you wish to calculate=N245,L172 REFERENCE68A reference value for a given contact, by default is 0=0.56 
ATOMS69the atoms involved in each of the contacts you wish to calculate=I246,L172 REFERENCE69A reference value for a given contact, by default is 0=0.55 
ATOMS70the atoms involved in each of the contacts you wish to calculate=F247,L172 REFERENCE70A reference value for a given contact, by default is 0=0.95 
ATOMS71the atoms involved in each of the contacts you wish to calculate=K248,L172 REFERENCE71A reference value for a given contact, by default is 0=0.66 
ATOMS72the atoms involved in each of the contacts you wish to calculate=R249,L172 REFERENCE72A reference value for a given contact, by default is 0=0.98
ATOMS73the atoms involved in each of the contacts you wish to calculate=V238,E173 REFERENCE73A reference value for a given contact, by default is 0=0.02 
ATOMS74the atoms involved in each of the contacts you wish to calculate=L239,E173 REFERENCE74A reference value for a given contact, by default is 0=0.1  
ATOMS75the atoms involved in each of the contacts you wish to calculate=K240,E173 REFERENCE75A reference value for a given contact, by default is 0=0.04 
ATOMS76the atoms involved in each of the contacts you wish to calculate=D241,E173 REFERENCE76A reference value for a given contact, by default is 0=0.23 
ATOMS77the atoms involved in each of the contacts you wish to calculate=K242,E173 REFERENCE77A reference value for a given contact, by default is 0=0.45 
ATOMS78the atoms involved in each of the contacts you wish to calculate=P243,E173 REFERENCE78A reference value for a given contact, by default is 0=0.34 
ATOMS79the atoms involved in each of the contacts you wish to calculate=H244,E173 REFERENCE79A reference value for a given contact, by default is 0=0.95 
ATOMS80the atoms involved in each of the contacts you wish to calculate=N245,E173 REFERENCE80A reference value for a given contact, by default is 0=0.51 
ATOMS81the atoms involved in each of the contacts you wish to calculate=I246,E173 REFERENCE81A reference value for a given contact, by default is 0=0.51 
ATOMS82the atoms involved in each of the contacts you wish to calculate=F247,E173 REFERENCE82A reference value for a given contact, by default is 0=0.8  
ATOMS83the atoms involved in each of the contacts you wish to calculate=K248,E173 REFERENCE83A reference value for a given contact, by default is 0=0.14 
ATOMS84the atoms involved in each of the contacts you wish to calculate=R249,E173 REFERENCE84A reference value for a given contact, by default is 0=0.45
ATOMS85the atoms involved in each of the contacts you wish to calculate=V238,E174 REFERENCE85A reference value for a given contact, by default is 0=0.04 
ATOMS86the atoms involved in each of the contacts you wish to calculate=L239,E174 REFERENCE86A reference value for a given contact, by default is 0=0.32 
ATOMS87the atoms involved in each of the contacts you wish to calculate=K240,E174 REFERENCE87A reference value for a given contact, by default is 0=0.08 
ATOMS88the atoms involved in each of the contacts you wish to calculate=D241,E174 REFERENCE88A reference value for a given contact, by default is 0=0.33 
ATOMS89the atoms involved in each of the contacts you wish to calculate=K242,E174 REFERENCE89A reference value for a given contact, by default is 0=0.62 
ATOMS90the atoms involved in each of the contacts you wish to calculate=P243,E174 REFERENCE90A reference value for a given contact, by default is 0=0.27 
ATOMS91the atoms involved in each of the contacts you wish to calculate=H244,E174 REFERENCE91A reference value for a given contact, by default is 0=0.63 
ATOMS92the atoms involved in each of the contacts you wish to calculate=N245,E174 REFERENCE92A reference value for a given contact, by default is 0=0.21 
ATOMS93the atoms involved in each of the contacts you wish to calculate=I246,E174 REFERENCE93A reference value for a given contact, by default is 0=0.12 
ATOMS94the atoms involved in each of the contacts you wish to calculate=F247,E174 REFERENCE94A reference value for a given contact, by default is 0=0.24 
ATOMS95the atoms involved in each of the contacts you wish to calculate=K248,E174 REFERENCE95A reference value for a given contact, by default is 0=0.05 
ATOMS96the atoms involved in each of the contacts you wish to calculate=R249,E174 REFERENCE96A reference value for a given contact, by default is 0=0.31
ATOMS97the atoms involved in each of the contacts you wish to calculate=V238,I175 REFERENCE97A reference value for a given contact, by default is 0=0.12 
ATOMS98the atoms involved in each of the contacts you wish to calculate=L239,I175 REFERENCE98A reference value for a given contact, by default is 0=0.81 
ATOMS99the atoms involved in each of the contacts you wish to calculate=K240,I175 REFERENCE99A reference value for a given contact, by default is 0=0.23 
ATOMS100the atoms involved in each of the contacts you wish to calculate=D241,I175 REFERENCE100A reference value for a given contact, by default is 0=0.69 
ATOMS101the atoms involved in each of the contacts you wish to calculate=K242,I175 REFERENCE101A reference value for a given contact, by default is 0=0.42 
ATOMS102the atoms involved in each of the contacts you wish to calculate=P243,I175 REFERENCE102A reference value for a given contact, by default is 0=0.26 
ATOMS103the atoms involved in each of the contacts you wish to calculate=H244,I175 REFERENCE103A reference value for a given contact, by default is 0=0.41 
ATOMS104the atoms involved in each of the contacts you wish to calculate=N245,I175 REFERENCE104A reference value for a given contact, by default is 0=0.08 
ATOMS105the atoms involved in each of the contacts you wish to calculate=I246,I175 REFERENCE105A reference value for a given contact, by default is 0=0.06 
ATOMS106the atoms involved in each of the contacts you wish to calculate=F247,I175 REFERENCE106A reference value for a given contact, by default is 0=0.21 
ATOMS107the atoms involved in each of the contacts you wish to calculate=K248,I175 REFERENCE107A reference value for a given contact, by default is 0=0.09 
ATOMS108the atoms involved in each of the contacts you wish to calculate=R249,I175 REFERENCE108A reference value for a given contact, by default is 0=0.84
ATOMS109the atoms involved in each of the contacts you wish to calculate=V238,E214 REFERENCE109A reference value for a given contact, by default is 0=0.71 
ATOMS110the atoms involved in each of the contacts you wish to calculate=L239,E214 REFERENCE110A reference value for a given contact, by default is 0=0.95 
ATOMS111the atoms involved in each of the contacts you wish to calculate=K240,E214 REFERENCE111A reference value for a given contact, by default is 0=0.95 
ATOMS112the atoms involved in each of the contacts you wish to calculate=D241,E214 REFERENCE112A reference value for a given contact, by default is 0=0.96 
ATOMS113the atoms involved in each of the contacts you wish to calculate=K242,E214 REFERENCE113A reference value for a given contact, by default is 0=0.24 
ATOMS114the atoms involved in each of the contacts you wish to calculate=P243,E214 REFERENCE114A reference value for a given contact, by default is 0=0.25 
ATOMS115the atoms involved in each of the contacts you wish to calculate=H244,E214 REFERENCE115A reference value for a given contact, by default is 0=0.07 
ATOMS116the atoms involved in each of the contacts you wish to calculate=N245,E214 REFERENCE116A reference value for a given contact, by default is 0=0.02 
ATOMS117the atoms involved in each of the contacts you wish to calculate=I246,E214 REFERENCE117A reference value for a given contact, by default is 0=0.01 
ATOMS118the atoms involved in each of the contacts you wish to calculate=F247,E214 REFERENCE118A reference value for a given contact, by default is 0=0.04 
ATOMS119the atoms involved in each of the contacts you wish to calculate=K248,E214 REFERENCE119A reference value for a given contact, by default is 0=0.08 
ATOMS120the atoms involved in each of the contacts you wish to calculate=R249,E214 REFERENCE120A reference value for a given contact, by default is 0=0.78
ATOMS121the atoms involved in each of the contacts you wish to calculate=V238,G215 REFERENCE121A reference value for a given contact, by default is 0=0.96 
ATOMS122the atoms involved in each of the contacts you wish to calculate=L239,G215 REFERENCE122A reference value for a given contact, by default is 0=0.97 
ATOMS123the atoms involved in each of the contacts you wish to calculate=K240,G215 REFERENCE123A reference value for a given contact, by default is 0=0.93 
ATOMS124the atoms involved in each of the contacts you wish to calculate=D241,G215 REFERENCE124A reference value for a given contact, by default is 0=0.58 
ATOMS125the atoms involved in each of the contacts you wish to calculate=K242,G215 REFERENCE125A reference value for a given contact, by default is 0=0.09 
ATOMS126the atoms involved in each of the contacts you wish to calculate=P243,G215 REFERENCE126A reference value for a given contact, by default is 0=0.06 
ATOMS127the atoms involved in each of the contacts you wish to calculate=H244,G215 REFERENCE127A reference value for a given contact, by default is 0=0.02 
ATOMS128the atoms involved in each of the contacts you wish to calculate=N245,G215 REFERENCE128A reference value for a given contact, by default is 0=0.01 
ATOMS129the atoms involved in each of the contacts you wish to calculate=I246,G215 REFERENCE129A reference value for a given contact, by default is 0=0.   
ATOMS130the atoms involved in each of the contacts you wish to calculate=F247,G215 REFERENCE130A reference value for a given contact, by default is 0=0.01 
ATOMS131the atoms involved in each of the contacts you wish to calculate=K248,G215 REFERENCE131A reference value for a given contact, by default is 0=0.02 
ATOMS132the atoms involved in each of the contacts you wish to calculate=R249,G215 REFERENCE132A reference value for a given contact, by default is 0=0.22
ATOMS133the atoms involved in each of the contacts you wish to calculate=V238,T216 REFERENCE133A reference value for a given contact, by default is 0=0.9  
ATOMS134the atoms involved in each of the contacts you wish to calculate=L239,T216 REFERENCE134A reference value for a given contact, by default is 0=0.99 
ATOMS135the atoms involved in each of the contacts you wish to calculate=K240,T216 REFERENCE135A reference value for a given contact, by default is 0=0.63 
ATOMS136the atoms involved in each of the contacts you wish to calculate=D241,T216 REFERENCE136A reference value for a given contact, by default is 0=0.31 
ATOMS137the atoms involved in each of the contacts you wish to calculate=K242,T216 REFERENCE137A reference value for a given contact, by default is 0=0.06 
ATOMS138the atoms involved in each of the contacts you wish to calculate=P243,T216 REFERENCE138A reference value for a given contact, by default is 0=0.04 
ATOMS139the atoms involved in each of the contacts you wish to calculate=H244,T216 REFERENCE139A reference value for a given contact, by default is 0=0.02 
ATOMS140the atoms involved in each of the contacts you wish to calculate=N245,T216 REFERENCE140A reference value for a given contact, by default is 0=0.01 
ATOMS141the atoms involved in each of the contacts you wish to calculate=I246,T216 REFERENCE141A reference value for a given contact, by default is 0=0.   
ATOMS142the atoms involved in each of the contacts you wish to calculate=F247,T216 REFERENCE142A reference value for a given contact, by default is 0=0.01 
ATOMS143the atoms involved in each of the contacts you wish to calculate=K248,T216 REFERENCE143A reference value for a given contact, by default is 0=0.01 
ATOMS144the atoms involved in each of the contacts you wish to calculate=R249,T216 REFERENCE144A reference value for a given contact, by default is 0=0.15
ATOMS145the atoms involved in each of the contacts you wish to calculate=V238,P274 REFERENCE145A reference value for a given contact, by default is 0=0.   
ATOMS146the atoms involved in each of the contacts you wish to calculate=L239,P274 REFERENCE146A reference value for a given contact, by default is 0=0.   
ATOMS147the atoms involved in each of the contacts you wish to calculate=K240,P274 REFERENCE147A reference value for a given contact, by default is 0=0.   
ATOMS148the atoms involved in each of the contacts you wish to calculate=D241,P274 REFERENCE148A reference value for a given contact, by default is 0=0.01 
ATOMS149the atoms involved in each of the contacts you wish to calculate=K242,P274 REFERENCE149A reference value for a given contact, by default is 0=0.02 
ATOMS150the atoms involved in each of the contacts you wish to calculate=P243,P274 REFERENCE150A reference value for a given contact, by default is 0=0.04 
ATOMS151the atoms involved in each of the contacts you wish to calculate=H244,P274 REFERENCE151A reference value for a given contact, by default is 0=0.43 
ATOMS152the atoms involved in each of the contacts you wish to calculate=N245,P274 REFERENCE152A reference value for a given contact, by default is 0=0.28 
ATOMS153the atoms involved in each of the contacts you wish to calculate=I246,P274 REFERENCE153A reference value for a given contact, by default is 0=0.88 
ATOMS154the atoms involved in each of the contacts you wish to calculate=F247,P274 REFERENCE154A reference value for a given contact, by default is 0=0.89 
ATOMS155the atoms involved in each of the contacts you wish to calculate=K248,P274 REFERENCE155A reference value for a given contact, by default is 0=0.12 
ATOMS156the atoms involved in each of the contacts you wish to calculate=R249,P274 REFERENCE156A reference value for a given contact, by default is 0=0.05
ATOMS157the atoms involved in each of the contacts you wish to calculate=V238,L276 REFERENCE157A reference value for a given contact, by default is 0=0.01 
ATOMS158the atoms involved in each of the contacts you wish to calculate=L239,L276 REFERENCE158A reference value for a given contact, by default is 0=0.03 
ATOMS159the atoms involved in each of the contacts you wish to calculate=K240,L276 REFERENCE159A reference value for a given contact, by default is 0=0.01 
ATOMS160the atoms involved in each of the contacts you wish to calculate=D241,L276 REFERENCE160A reference value for a given contact, by default is 0=0.08 
ATOMS161the atoms involved in each of the contacts you wish to calculate=K242,L276 REFERENCE161A reference value for a given contact, by default is 0=0.09 
ATOMS162the atoms involved in each of the contacts you wish to calculate=P243,L276 REFERENCE162A reference value for a given contact, by default is 0=0.11 
ATOMS163the atoms involved in each of the contacts you wish to calculate=H244,L276 REFERENCE163A reference value for a given contact, by default is 0=0.74 
ATOMS164the atoms involved in each of the contacts you wish to calculate=N245,L276 REFERENCE164A reference value for a given contact, by default is 0=0.22 
ATOMS165the atoms involved in each of the contacts you wish to calculate=I246,L276 REFERENCE165A reference value for a given contact, by default is 0=0.51 
ATOMS166the atoms involved in each of the contacts you wish to calculate=F247,L276 REFERENCE166A reference value for a given contact, by default is 0=0.93 
ATOMS167the atoms involved in each of the contacts you wish to calculate=K248,L276 REFERENCE167A reference value for a given contact, by default is 0=0.16 
ATOMS168the atoms involved in each of the contacts you wish to calculate=R249,L276 REFERENCE168A reference value for a given contact, by default is 0=0.36
ATOMS169the atoms involved in each of the contacts you wish to calculate=V238,V238 REFERENCE169A reference value for a given contact, by default is 0=1. 
ATOMS170the atoms involved in each of the contacts you wish to calculate=L239,V238 REFERENCE170A reference value for a given contact, by default is 0=0.95 
ATOMS171the atoms involved in each of the contacts you wish to calculate=K240,V238 REFERENCE171A reference value for a given contact, by default is 0=0.98 
ATOMS172the atoms involved in each of the contacts you wish to calculate=D241,V238 REFERENCE172A reference value for a given contact, by default is 0=0.38  
ATOMS173the atoms involved in each of the contacts you wish to calculate=K242,V238 REFERENCE173A reference value for a given contact, by default is 0=0.12 
ATOMS174the atoms involved in each of the contacts you wish to calculate=P243,V238 REFERENCE174A reference value for a given contact, by default is 0=0.05  
ATOMS175the atoms involved in each of the contacts you wish to calculate=H244,V238 REFERENCE175A reference value for a given contact, by default is 0=0.01 
ATOMS176the atoms involved in each of the contacts you wish to calculate=N245,V238 REFERENCE176A reference value for a given contact, by default is 0=0.01 
ATOMS177the atoms involved in each of the contacts you wish to calculate=I246,V238 REFERENCE177A reference value for a given contact, by default is 0=0.   
ATOMS178the atoms involved in each of the contacts you wish to calculate=F247,V238 REFERENCE178A reference value for a given contact, by default is 0=0.01 
ATOMS179the atoms involved in each of the contacts you wish to calculate=K248,V238 REFERENCE179A reference value for a given contact, by default is 0=0.01 
ATOMS180the atoms involved in each of the contacts you wish to calculate=R249,V238 REFERENCE180A reference value for a given contact, by default is 0=0.06
ATOMS181the atoms involved in each of the contacts you wish to calculate=V238,L239 REFERENCE181A reference value for a given contact, by default is 0=0.95 
ATOMS182the atoms involved in each of the contacts you wish to calculate=L239,L239 REFERENCE182A reference value for a given contact, by default is 0=1.   
ATOMS183the atoms involved in each of the contacts you wish to calculate=K240,L239 REFERENCE183A reference value for a given contact, by default is 0=0.93 
ATOMS184the atoms involved in each of the contacts you wish to calculate=D241,L239 REFERENCE184A reference value for a given contact, by default is 0=0.81 
ATOMS185the atoms involved in each of the contacts you wish to calculate=K242,L239 REFERENCE185A reference value for a given contact, by default is 0=0.34 
ATOMS186the atoms involved in each of the contacts you wish to calculate=P243,L239 REFERENCE186A reference value for a given contact, by default is 0=0.15 
ATOMS187the atoms involved in each of the contacts you wish to calculate=H244,L239 REFERENCE187A reference value for a given contact, by default is 0=0.06 
ATOMS188the atoms involved in each of the contacts you wish to calculate=N245,L239 REFERENCE188A reference value for a given contact, by default is 0=0.02 
ATOMS189the atoms involved in each of the contacts you wish to calculate=I246,L239 REFERENCE189A reference value for a given contact, by default is 0=0.01 
ATOMS190the atoms involved in each of the contacts you wish to calculate=F247,L239 REFERENCE190A reference value for a given contact, by default is 0=0.02 
ATOMS191the atoms involved in each of the contacts you wish to calculate=K248,L239 REFERENCE191A reference value for a given contact, by default is 0=0.02 
ATOMS192the atoms involved in each of the contacts you wish to calculate=R249,L239 REFERENCE192A reference value for a given contact, by default is 0=0.34
ATOMS193the atoms involved in each of the contacts you wish to calculate=V238,K240 REFERENCE193A reference value for a given contact, by default is 0=0.98 
ATOMS194the atoms involved in each of the contacts you wish to calculate=L239,K240 REFERENCE194A reference value for a given contact, by default is 0=0.93 
ATOMS195the atoms involved in each of the contacts you wish to calculate=K240,K240 REFERENCE195A reference value for a given contact, by default is 0=1.   
ATOMS196the atoms involved in each of the contacts you wish to calculate=D241,K240 REFERENCE196A reference value for a given contact, by default is 0=0.94 
ATOMS197the atoms involved in each of the contacts you wish to calculate=K242,K240 REFERENCE197A reference value for a given contact, by default is 0=0.49 
ATOMS198the atoms involved in each of the contacts you wish to calculate=P243,K240 REFERENCE198A reference value for a given contact, by default is 0=0.32 
ATOMS199the atoms involved in each of the contacts you wish to calculate=H244,K240 REFERENCE199A reference value for a given contact, by default is 0=0.05 
ATOMS200the atoms involved in each of the contacts you wish to calculate=N245,K240 REFERENCE200A reference value for a given contact, by default is 0=0.02 
ATOMS201the atoms involved in each of the contacts you wish to calculate=I246,K240 REFERENCE201A reference value for a given contact, by default is 0=0.01 
ATOMS202the atoms involved in each of the contacts you wish to calculate=F247,K240 REFERENCE202A reference value for a given contact, by default is 0=0.02 
ATOMS203the atoms involved in each of the contacts you wish to calculate=K248,K240 REFERENCE203A reference value for a given contact, by default is 0=0.04 
ATOMS204the atoms involved in each of the contacts you wish to calculate=R249,K240 REFERENCE204A reference value for a given contact, by default is 0=0.25 
ATOMS205the atoms involved in each of the contacts you wish to calculate=V238,D241 REFERENCE205A reference value for a given contact, by default is 0=0.38 
ATOMS206the atoms involved in each of the contacts you wish to calculate=L239,D241 REFERENCE206A reference value for a given contact, by default is 0=0.81 
ATOMS207the atoms involved in each of the contacts you wish to calculate=K240,D241 REFERENCE207A reference value for a given contact, by default is 0=0.94 
ATOMS208the atoms involved in each of the contacts you wish to calculate=D241,D241 REFERENCE208A reference value for a given contact, by default is 0=1.   
ATOMS209the atoms involved in each of the contacts you wish to calculate=K242,D241 REFERENCE209A reference value for a given contact, by default is 0=0.93 
ATOMS210the atoms involved in each of the contacts you wish to calculate=P243,D241 REFERENCE210A reference value for a given contact, by default is 0=0.95 
ATOMS211the atoms involved in each of the contacts you wish to calculate=H244,D241 REFERENCE211A reference value for a given contact, by default is 0=0.44 
ATOMS212the atoms involved in each of the contacts you wish to calculate=N245,D241 REFERENCE212A reference value for a given contact, by default is 0=0.16 
ATOMS213the atoms involved in each of the contacts you wish to calculate=I246,D241 REFERENCE213A reference value for a given contact, by default is 0=0.06 
ATOMS214the atoms involved in each of the contacts you wish to calculate=F247,D241 REFERENCE214A reference value for a given contact, by default is 0=0.14 
ATOMS215the atoms involved in each of the contacts you wish to calculate=K248,D241 REFERENCE215A reference value for a given contact, by default is 0=0.31 
ATOMS216the atoms involved in each of the contacts you wish to calculate=R249,D241 REFERENCE216A reference value for a given contact, by default is 0=0.94
ATOMS217the atoms involved in each of the contacts you wish to calculate=V238,K242 REFERENCE217A reference value for a given contact, by default is 0=0.12 
ATOMS218the atoms involved in each of the contacts you wish to calculate=L239,K242 REFERENCE218A reference value for a given contact, by default is 0=0.34 
ATOMS219the atoms involved in each of the contacts you wish to calculate=K240,K242 REFERENCE219A reference value for a given contact, by default is 0=0.49 
ATOMS220the atoms involved in each of the contacts you wish to calculate=D241,K242 REFERENCE220A reference value for a given contact, by default is 0=0.93 
ATOMS221the atoms involved in each of the contacts you wish to calculate=K242,K242 REFERENCE221A reference value for a given contact, by default is 0=1.   
ATOMS222the atoms involved in each of the contacts you wish to calculate=P243,K242 REFERENCE222A reference value for a given contact, by default is 0=0.99 
ATOMS223the atoms involved in each of the contacts you wish to calculate=H244,K242 REFERENCE223A reference value for a given contact, by default is 0=0.77 
ATOMS224the atoms involved in each of the contacts you wish to calculate=N245,K242 REFERENCE224A reference value for a given contact, by default is 0=0.62 
ATOMS225the atoms involved in each of the contacts you wish to calculate=I246,K242 REFERENCE225A reference value for a given contact, by default is 0=0.15 
ATOMS226the atoms involved in each of the contacts you wish to calculate=F247,K242 REFERENCE226A reference value for a given contact, by default is 0=0.17 
ATOMS227the atoms involved in each of the contacts you wish to calculate=K248,K242 REFERENCE227A reference value for a given contact, by default is 0=0.18 
ATOMS228the atoms involved in each of the contacts you wish to calculate=R249,K242 REFERENCE228A reference value for a given contact, by default is 0=0.41
ATOMS229the atoms involved in each of the contacts you wish to calculate=V238,P243 REFERENCE229A reference value for a given contact, by default is 0=0.05 
ATOMS230the atoms involved in each of the contacts you wish to calculate=L239,P243 REFERENCE230A reference value for a given contact, by default is 0=0.15 
ATOMS231the atoms involved in each of the contacts you wish to calculate=K240,P243 REFERENCE231A reference value for a given contact, by default is 0=0.32 
ATOMS232the atoms involved in each of the contacts you wish to calculate=D241,P243 REFERENCE232A reference value for a given contact, by default is 0=0.95 
ATOMS233the atoms involved in each of the contacts you wish to calculate=K242,P243 REFERENCE233A reference value for a given contact, by default is 0=0.99 
ATOMS234the atoms involved in each of the contacts you wish to calculate=P243,P243 REFERENCE234A reference value for a given contact, by default is 0=1.   
ATOMS235the atoms involved in each of the contacts you wish to calculate=H244,P243 REFERENCE235A reference value for a given contact, by default is 0=0.92 
ATOMS236the atoms involved in each of the contacts you wish to calculate=N245,P243 REFERENCE236A reference value for a given contact, by default is 0=0.84 
ATOMS237the atoms involved in each of the contacts you wish to calculate=I246,P243 REFERENCE237A reference value for a given contact, by default is 0=0.36 
ATOMS238the atoms involved in each of the contacts you wish to calculate=F247,P243 REFERENCE238A reference value for a given contact, by default is 0=0.41 
ATOMS239the atoms involved in each of the contacts you wish to calculate=K248,P243 REFERENCE239A reference value for a given contact, by default is 0=0.72 
ATOMS240the atoms involved in each of the contacts you wish to calculate=R249,P243 REFERENCE240A reference value for a given contact, by default is 0=0.71
ATOMS241the atoms involved in each of the contacts you wish to calculate=V238,H244 REFERENCE241A reference value for a given contact, by default is 0=0.01 
ATOMS242the atoms involved in each of the contacts you wish to calculate=L239,H244 REFERENCE242A reference value for a given contact, by default is 0=0.06 
ATOMS243the atoms involved in each of the contacts you wish to calculate=K240,H244 REFERENCE243A reference value for a given contact, by default is 0=0.05 
ATOMS244the atoms involved in each of the contacts you wish to calculate=D241,H244 REFERENCE244A reference value for a given contact, by default is 0=0.44 
ATOMS245the atoms involved in each of the contacts you wish to calculate=K242,H244 REFERENCE245A reference value for a given contact, by default is 0=0.77 
ATOMS246the atoms involved in each of the contacts you wish to calculate=P243,H244 REFERENCE246A reference value for a given contact, by default is 0=0.92 
ATOMS247the atoms involved in each of the contacts you wish to calculate=H244,H244 REFERENCE247A reference value for a given contact, by default is 0=1.   
ATOMS248the atoms involved in each of the contacts you wish to calculate=N245,H244 REFERENCE248A reference value for a given contact, by default is 0=0.99 
ATOMS249the atoms involved in each of the contacts you wish to calculate=I246,H244 REFERENCE249A reference value for a given contact, by default is 0=0.96 
ATOMS250the atoms involved in each of the contacts you wish to calculate=F247,H244 REFERENCE250A reference value for a given contact, by default is 0=0.98 
ATOMS251the atoms involved in each of the contacts you wish to calculate=K248,H244 REFERENCE251A reference value for a given contact, by default is 0=0.73 
ATOMS252the atoms involved in each of the contacts you wish to calculate=R249,H244 REFERENCE252A reference value for a given contact, by default is 0=0.65
ATOMS253the atoms involved in each of the contacts you wish to calculate=V238,N245 REFERENCE253A reference value for a given contact, by default is 0=0.01 
ATOMS254the atoms involved in each of the contacts you wish to calculate=L239,N245 REFERENCE254A reference value for a given contact, by default is 0=0.02 
ATOMS255the atoms involved in each of the contacts you wish to calculate=K240,N245 REFERENCE255A reference value for a given contact, by default is 0=0.02 
ATOMS256the atoms involved in each of the contacts you wish to calculate=D241,N245 REFERENCE256A reference value for a given contact, by default is 0=0.16 
ATOMS257the atoms involved in each of the contacts you wish to calculate=K242,N245 REFERENCE257A reference value for a given contact, by default is 0=0.62 
ATOMS258the atoms involved in each of the contacts you wish to calculate=P243,N245 REFERENCE258A reference value for a given contact, by default is 0=0.84 
ATOMS259the atoms involved in each of the contacts you wish to calculate=H244,N245 REFERENCE259A reference value for a given contact, by default is 0=0.99 
ATOMS260the atoms involved in each of the contacts you wish to calculate=N245,N245 REFERENCE260A reference value for a given contact, by default is 0=1.   
ATOMS261the atoms involved in each of the contacts you wish to calculate=I246,N245 REFERENCE261A reference value for a given contact, by default is 0=0.98 
ATOMS262the atoms involved in each of the contacts you wish to calculate=F247,N245 REFERENCE262A reference value for a given contact, by default is 0=0.79 
ATOMS263the atoms involved in each of the contacts you wish to calculate=K248,N245 REFERENCE263A reference value for a given contact, by default is 0=0.5  
ATOMS264the atoms involved in each of the contacts you wish to calculate=R249,N245 REFERENCE264A reference value for a given contact, by default is 0=0.17
ATOMS265the atoms involved in each of the contacts you wish to calculate=V238,I246 REFERENCE265A reference value for a given contact, by default is 0=0.   
ATOMS266the atoms involved in each of the contacts you wish to calculate=L239,I246 REFERENCE266A reference value for a given contact, by default is 0=0.01 
ATOMS267the atoms involved in each of the contacts you wish to calculate=K240,I246 REFERENCE267A reference value for a given contact, by default is 0=0.01 
ATOMS268the atoms involved in each of the contacts you wish to calculate=D241,I246 REFERENCE268A reference value for a given contact, by default is 0=0.06 
ATOMS269the atoms involved in each of the contacts you wish to calculate=K242,I246 REFERENCE269A reference value for a given contact, by default is 0=0.15 
ATOMS270the atoms involved in each of the contacts you wish to calculate=P243,I246 REFERENCE270A reference value for a given contact, by default is 0=0.36 
ATOMS271the atoms involved in each of the contacts you wish to calculate=H244,I246 REFERENCE271A reference value for a given contact, by default is 0=0.96 
ATOMS272the atoms involved in each of the contacts you wish to calculate=N245,I246 REFERENCE272A reference value for a given contact, by default is 0=0.98 
ATOMS273the atoms involved in each of the contacts you wish to calculate=I246,I246 REFERENCE273A reference value for a given contact, by default is 0=1.   
ATOMS274the atoms involved in each of the contacts you wish to calculate=F247,I246 REFERENCE274A reference value for a given contact, by default is 0=0.99 
ATOMS275the atoms involved in each of the contacts you wish to calculate=K248,I246 REFERENCE275A reference value for a given contact, by default is 0=0.61 
ATOMS276the atoms involved in each of the contacts you wish to calculate=R249,I246 REFERENCE276A reference value for a given contact, by default is 0=0.15
ATOMS277the atoms involved in each of the contacts you wish to calculate=V238,F247 REFERENCE277A reference value for a given contact, by default is 0=0.01 
ATOMS278the atoms involved in each of the contacts you wish to calculate=L239,F247 REFERENCE278A reference value for a given contact, by default is 0=0.02 
ATOMS279the atoms involved in each of the contacts you wish to calculate=K240,F247 REFERENCE279A reference value for a given contact, by default is 0=0.02 
ATOMS280the atoms involved in each of the contacts you wish to calculate=D241,F247 REFERENCE280A reference value for a given contact, by default is 0=0.14 
ATOMS281the atoms involved in each of the contacts you wish to calculate=K242,F247 REFERENCE281A reference value for a given contact, by default is 0=0.17 
ATOMS282the atoms involved in each of the contacts you wish to calculate=P243,F247 REFERENCE282A reference value for a given contact, by default is 0=0.41 
ATOMS283the atoms involved in each of the contacts you wish to calculate=H244,F247 REFERENCE283A reference value for a given contact, by default is 0=0.98 
ATOMS284the atoms involved in each of the contacts you wish to calculate=N245,F247 REFERENCE284A reference value for a given contact, by default is 0=0.79 
ATOMS285the atoms involved in each of the contacts you wish to calculate=I246,F247 REFERENCE285A reference value for a given contact, by default is 0=0.99 
ATOMS286the atoms involved in each of the contacts you wish to calculate=F247,F247 REFERENCE286A reference value for a given contact, by default is 0=1.   
ATOMS287the atoms involved in each of the contacts you wish to calculate=K248,F247 REFERENCE287A reference value for a given contact, by default is 0=0.84 
ATOMS288the atoms involved in each of the contacts you wish to calculate=R249,F247 REFERENCE288A reference value for a given contact, by default is 0=0.56
ATOMS289the atoms involved in each of the contacts you wish to calculate=V238,K248 REFERENCE289A reference value for a given contact, by default is 0=0.01 
ATOMS290the atoms involved in each of the contacts you wish to calculate=L239,K248 REFERENCE290A reference value for a given contact, by default is 0=0.02 
ATOMS291the atoms involved in each of the contacts you wish to calculate=K240,K248 REFERENCE291A reference value for a given contact, by default is 0=0.04 
ATOMS292the atoms involved in each of the contacts you wish to calculate=D241,K248 REFERENCE292A reference value for a given contact, by default is 0=0.31 
ATOMS293the atoms involved in each of the contacts you wish to calculate=K242,K248 REFERENCE293A reference value for a given contact, by default is 0=0.18 
ATOMS294the atoms involved in each of the contacts you wish to calculate=P243,K248 REFERENCE294A reference value for a given contact, by default is 0=0.72 
ATOMS295the atoms involved in each of the contacts you wish to calculate=H244,K248 REFERENCE295A reference value for a given contact, by default is 0=0.73 
ATOMS296the atoms involved in each of the contacts you wish to calculate=N245,K248 REFERENCE296A reference value for a given contact, by default is 0=0.5  
ATOMS297the atoms involved in each of the contacts you wish to calculate=I246,K248 REFERENCE297A reference value for a given contact, by default is 0=0.61 
ATOMS298the atoms involved in each of the contacts you wish to calculate=F247,K248 REFERENCE298A reference value for a given contact, by default is 0=0.84 
ATOMS299the atoms involved in each of the contacts you wish to calculate=K248,K248 REFERENCE299A reference value for a given contact, by default is 0=1.   
ATOMS300the atoms involved in each of the contacts you wish to calculate=R249,K248 REFERENCE300A reference value for a given contact, by default is 0=0.75
ATOMS301the atoms involved in each of the contacts you wish to calculate=V238,R249 REFERENCE301A reference value for a given contact, by default is 0=0.06 
ATOMS302the atoms involved in each of the contacts you wish to calculate=L239,R249 REFERENCE302A reference value for a given contact, by default is 0=0.34 
ATOMS303the atoms involved in each of the contacts you wish to calculate=K240,R249 REFERENCE303A reference value for a given contact, by default is 0=0.25 
ATOMS304the atoms involved in each of the contacts you wish to calculate=D241,R249 REFERENCE304A reference value for a given contact, by default is 0=0.94 
ATOMS305the atoms involved in each of the contacts you wish to calculate=K242,R249 REFERENCE305A reference value for a given contact, by default is 0=0.41 
ATOMS306the atoms involved in each of the contacts you wish to calculate=P243,R249 REFERENCE306A reference value for a given contact, by default is 0=0.71 
ATOMS307the atoms involved in each of the contacts you wish to calculate=H244,R249 REFERENCE307A reference value for a given contact, by default is 0=0.65 
ATOMS308the atoms involved in each of the contacts you wish to calculate=N245,R249 REFERENCE308A reference value for a given contact, by default is 0=0.17 
ATOMS309the atoms involved in each of the contacts you wish to calculate=I246,R249 REFERENCE309A reference value for a given contact, by default is 0=0.15 
ATOMS310the atoms involved in each of the contacts you wish to calculate=F247,R249 REFERENCE310A reference value for a given contact, by default is 0=0.56 
ATOMS311the atoms involved in each of the contacts you wish to calculate=K248,R249 REFERENCE311A reference value for a given contact, by default is 0=0.75 
ATOMS312the atoms involved in each of the contacts you wish to calculate=R249,R249 REFERENCE312A reference value for a given contact, by default is 0=1.


SWITCHThe switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=1}
LABELa label for the action so that its output can be referenced in the input to other actions=contact
... CONTACTMAP

PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=contact.* FILEthe name of the file on which to output these quantities=contact_map