PLUMED-NEST

Project ID: plumID:21.027
Source: D770-N771insNPG/plumed.dat
Originally used with PLUMED version: 2.4
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

MOLINFOThis command is used to provide information on the molecules that are present in your system. More details STRUCTUREa file in pdb format containing a reference structure=NPGins_active.pdb 
The MOLINFO action with label  calculates somethingWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the atoms that make up a molecule that you wish to align=1-4752
# Distances describing the two saltbridges K745(NZ):E762(CD) and K745(ΝΖ):D855(CG)
# that reflect the conformation of the aC helix
# (CVs described in Ludo's paper doi:10.1073/pnas.1221953110)
K745_E762The DISTANCE action with label K745_E762 calculates the following quantities:
 Quantity   
 Type   
 Description  
K745_E762
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=745,1016
K745_D855The DISTANCE action with label K745_D855 calculates the following quantities:
 Quantity   
 Type   
 Description  
K745_D855
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=745,2556

# Distance between the two distance
# When both saltbridges are formed, the distance between the two distances (CV)
# is close to 0. This CV is able to characterise the displacement of the fuctionally important
# E762 located in the aC helix of the N-lobe in its transition from the so-called "aC-in" to "aC-out" conformation
MATHEVALAn alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. More details ...
    LABELa label for the action so that its output can be referenced in the input to other actions=dThe MATHEVAL action with label d calculates the following quantities:
 Quantity   
 Type   
 Description  
d
scalar
an arbitrary function
    ARGthe values input to this function=K745_E762,K745_D855
    VARthe names to give each of the arguments in the function=a,b
    FUNCthe function you wish to evaluate=a-b
    PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
... MATHEVAL

# Distance from active cmap
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=cmap_active.dat
# The command:
# INCLUDE FILE=cmap_active.dat
# ensures PLUMED loads the contents of the file called cmap_active.dat
# The contents of this file are shown below (click the red comment to hide them).
The INCLUDE action with label cmap_active.dat calculates somethingCONTACTMAPCalculate 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=198,499 REFERENCE1A reference value for a given contact, by default is 0=0.23119 WEIGHT1A weight value for a given contact, by default is 1=1.0 SWITCH1The 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=0.30021 NN=6 MM=10}
ATOMS2the atoms involved in each of the contacts you wish to calculate=200,501 REFERENCE2A reference value for a given contact, by default is 0=0.88507 WEIGHT2A weight value for a given contact, by default is 1=1.0 SWITCH2The 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=0.59042 NN=6 MM=10}
ATOMS3the atoms involved in each of the contacts you wish to calculate=240,470 REFERENCE3A reference value for a given contact, by default is 0=0.33249 WEIGHT3A weight value for a given contact, by default is 1=1.0 SWITCH3The 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=0.30021 NN=6 MM=10}
ATOMS4the atoms involved in each of the contacts you wish to calculate=300,321 REFERENCE4A reference value for a given contact, by default is 0=0.73162 WEIGHT4A weight value for a given contact, by default is 1=1.0 SWITCH4The 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=0.59042 NN=6 MM=10}
ATOMS5the atoms involved in each of the contacts you wish to calculate=303,430 REFERENCE5A reference value for a given contact, by default is 0=0.24055 WEIGHT5A weight value for a given contact, by default is 1=1.0 SWITCH5The 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=0.30021 NN=6 MM=10}
ATOMS6the atoms involved in each of the contacts you wish to calculate=321,453 REFERENCE6A reference value for a given contact, by default is 0=0.73668 WEIGHT6A weight value for a given contact, by default is 1=1.0 SWITCH6The 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=0.59042 NN=6 MM=10}
ATOMS7the atoms involved in each of the contacts you wish to calculate=335,1572 REFERENCE7A reference value for a given contact, by default is 0=0.67048 WEIGHT7A weight value for a given contact, by default is 1=1.0 SWITCH7The 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=0.88063 NN=6 MM=10}
ATOMS8the atoms involved in each of the contacts you wish to calculate=342,360 REFERENCE8A reference value for a given contact, by default is 0=0.49589 WEIGHT8A weight value for a given contact, by default is 1=1.0 SWITCH8The 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=0.59042 NN=6 MM=10}
ATOMS9the atoms involved in each of the contacts you wish to calculate=390,402 REFERENCE9A reference value for a given contact, by default is 0=0.49806 WEIGHT9A weight value for a given contact, by default is 1=1.0 SWITCH9The 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=0.59042 NN=6 MM=10}
ATOMS10the atoms involved in each of the contacts you wish to calculate=501,688 REFERENCE10A reference value for a given contact, by default is 0=0.80456 WEIGHT10A weight value for a given contact, by default is 1=1.0 SWITCH10The 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=0.59042 NN=6 MM=10}
ATOMS11the atoms involved in each of the contacts you wish to calculate=520,628 REFERENCE11A reference value for a given contact, by default is 0=0.19426 WEIGHT11A weight value for a given contact, by default is 1=1.0 SWITCH11The 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=0.30021 NN=6 MM=10}
ATOMS12the atoms involved in each of the contacts you wish to calculate=520,631 REFERENCE12A reference value for a given contact, by default is 0=0.34970 WEIGHT12A weight value for a given contact, by default is 1=1.0 SWITCH12The 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=0.30021 NN=6 MM=10}
ATOMS13the atoms involved in each of the contacts you wish to calculate=523,628 REFERENCE13A reference value for a given contact, by default is 0=0.18017 WEIGHT13A weight value for a given contact, by default is 1=1.0 SWITCH13The 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=0.30021 NN=6 MM=10}
ATOMS14the atoms involved in each of the contacts you wish to calculate=523,631 REFERENCE14A reference value for a given contact, by default is 0=0.78524 WEIGHT14A weight value for a given contact, by default is 1=1.0 SWITCH14The 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=0.59042 NN=6 MM=10}
ATOMS15the atoms involved in each of the contacts you wish to calculate=553,580 REFERENCE15A reference value for a given contact, by default is 0=0.37988 WEIGHT15A weight value for a given contact, by default is 1=1.0 SWITCH15The 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=0.30021 NN=6 MM=10}
ATOMS16the atoms involved in each of the contacts you wish to calculate=669,688 REFERENCE16A reference value for a given contact, by default is 0=0.14653 WEIGHT16A weight value for a given contact, by default is 1=1.0 SWITCH16The 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=0.30021 NN=6 MM=10}
ATOMS17the atoms involved in each of the contacts you wish to calculate=686,1482 REFERENCE17A reference value for a given contact, by default is 0=0.41234 WEIGHT17A weight value for a given contact, by default is 1=1.0 SWITCH17The 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=0.30021 NN=6 MM=10}
ATOMS18the atoms involved in each of the contacts you wish to calculate=704,1482 REFERENCE18A reference value for a given contact, by default is 0=0.28375 WEIGHT18A weight value for a given contact, by default is 1=1.0 SWITCH18The 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=0.30021 NN=6 MM=10}
ATOMS19the atoms involved in each of the contacts you wish to calculate=765,789 REFERENCE19A reference value for a given contact, by default is 0=0.37773 WEIGHT19A weight value for a given contact, by default is 1=1.0 SWITCH19The 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=0.59042 NN=6 MM=10}
ATOMS20the atoms involved in each of the contacts you wish to calculate=765,960 REFERENCE20A reference value for a given contact, by default is 0=0.72143 WEIGHT20A weight value for a given contact, by default is 1=1.0 SWITCH20The 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=0.88063 NN=6 MM=10}
ATOMS21the atoms involved in each of the contacts you wish to calculate=789,833 REFERENCE21A reference value for a given contact, by default is 0=0.24833 WEIGHT21A weight value for a given contact, by default is 1=1.0 SWITCH21The 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=0.59042 NN=6 MM=10}
ATOMS22the atoms involved in each of the contacts you wish to calculate=808,828 REFERENCE22A reference value for a given contact, by default is 0=0.68876 WEIGHT22A weight value for a given contact, by default is 1=1.0 SWITCH22The 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=0.59042 NN=6 MM=10}
ATOMS23the atoms involved in each of the contacts you wish to calculate=823,1388 REFERENCE23A reference value for a given contact, by default is 0=0.46431 WEIGHT23A weight value for a given contact, by default is 1=1.0 SWITCH23The 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=0.59042 NN=6 MM=10}
ATOMS24the atoms involved in each of the contacts you wish to calculate=828,899 REFERENCE24A reference value for a given contact, by default is 0=0.93992 WEIGHT24A weight value for a given contact, by default is 1=1.0 SWITCH24The 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=0.88063 NN=6 MM=10}
ATOMS25the atoms involved in each of the contacts you wish to calculate=833,899 REFERENCE25A reference value for a given contact, by default is 0=0.93362 WEIGHT25A weight value for a given contact, by default is 1=1.0 SWITCH25The 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=0.88063 NN=6 MM=10}
ATOMS26the atoms involved in each of the contacts you wish to calculate=836,909 REFERENCE26A reference value for a given contact, by default is 0=0.68392 WEIGHT26A weight value for a given contact, by default is 1=1.0 SWITCH26The 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=0.88063 NN=6 MM=10}
ATOMS27the atoms involved in each of the contacts you wish to calculate=847,909 REFERENCE27A reference value for a given contact, by default is 0=0.85731 WEIGHT27A weight value for a given contact, by default is 1=1.0 SWITCH27The 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=1.17084 NN=6 MM=10}
ATOMS28the atoms involved in each of the contacts you wish to calculate=858,899 REFERENCE28A reference value for a given contact, by default is 0=0.97683 WEIGHT28A weight value for a given contact, by default is 1=1.0 SWITCH28The 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=0.59042 NN=6 MM=10}
ATOMS29the atoms involved in each of the contacts you wish to calculate=858,909 REFERENCE29A reference value for a given contact, by default is 0=0.87700 WEIGHT29A weight value for a given contact, by default is 1=1.0 SWITCH29The 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=0.59042 NN=6 MM=10}
ATOMS30the atoms involved in each of the contacts you wish to calculate=872,923 REFERENCE30A reference value for a given contact, by default is 0=0.94968 WEIGHT30A weight value for a given contact, by default is 1=1.0 SWITCH30The 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=0.59042 NN=6 MM=10}
ATOMS31the atoms involved in each of the contacts you wish to calculate=894,923 REFERENCE31A reference value for a given contact, by default is 0=0.90511 WEIGHT31A weight value for a given contact, by default is 1=1.0 SWITCH31The 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=0.59042 NN=6 MM=10}
ATOMS32the atoms involved in each of the contacts you wish to calculate=955,998 REFERENCE32A reference value for a given contact, by default is 0=0.39518 WEIGHT32A weight value for a given contact, by default is 1=1.0 SWITCH32The 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=0.30021 NN=6 MM=10}
ATOMS33the atoms involved in each of the contacts you wish to calculate=955,2583 REFERENCE33A reference value for a given contact, by default is 0=0.74541 WEIGHT33A weight value for a given contact, by default is 1=1.0 SWITCH33The 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=0.59042 NN=6 MM=10}
ATOMS34the atoms involved in each of the contacts you wish to calculate=977,1025 REFERENCE34A reference value for a given contact, by default is 0=0.27554 WEIGHT34A weight value for a given contact, by default is 1=1.0 SWITCH34The 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=0.30021 NN=6 MM=10}
ATOMS35the atoms involved in each of the contacts you wish to calculate=993,1035 REFERENCE35A reference value for a given contact, by default is 0=0.38135 WEIGHT35A weight value for a given contact, by default is 1=1.0 SWITCH35The 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=0.30021 NN=6 MM=10}
ATOMS36the atoms involved in each of the contacts you wish to calculate=998,2587 REFERENCE36A reference value for a given contact, by default is 0=0.93392 WEIGHT36A weight value for a given contact, by default is 1=1.0 SWITCH36The 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=0.88063 NN=6 MM=10}
ATOMS37the atoms involved in each of the contacts you wish to calculate=1005,2580 REFERENCE37A reference value for a given contact, by default is 0=0.66956 WEIGHT37A weight value for a given contact, by default is 1=1.0 SWITCH37The 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=0.59042 NN=6 MM=10}
ATOMS38the atoms involved in each of the contacts you wish to calculate=1005,2587 REFERENCE38A reference value for a given contact, by default is 0=0.88146 WEIGHT38A weight value for a given contact, by default is 1=1.0 SWITCH38The 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=0.88063 NN=6 MM=10}
ATOMS39the atoms involved in each of the contacts you wish to calculate=1010,2583 REFERENCE39A reference value for a given contact, by default is 0=0.93056 WEIGHT39A weight value for a given contact, by default is 1=1.0 SWITCH39The 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=0.59042 NN=6 MM=10}
ATOMS40the atoms involved in each of the contacts you wish to calculate=1020,1056 REFERENCE40A reference value for a given contact, by default is 0=0.30490 WEIGHT40A weight value for a given contact, by default is 1=1.0 SWITCH40The 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=0.30021 NN=6 MM=10}
ATOMS41the atoms involved in each of the contacts you wish to calculate=1020,1072 REFERENCE41A reference value for a given contact, by default is 0=0.50677 WEIGHT41A weight value for a given contact, by default is 1=1.0 SWITCH41The 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=0.30021 NN=6 MM=10}
ATOMS42the atoms involved in each of the contacts you wish to calculate=1020,2565 REFERENCE42A reference value for a given contact, by default is 0=0.90564 WEIGHT42A weight value for a given contact, by default is 1=1.0 SWITCH42The 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=0.59042 NN=6 MM=10}
ATOMS43the atoms involved in each of the contacts you wish to calculate=1056,2580 REFERENCE43A reference value for a given contact, by default is 0=0.88636 WEIGHT43A weight value for a given contact, by default is 1=1.0 SWITCH43The 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=0.59042 NN=6 MM=10}
ATOMS44the atoms involved in each of the contacts you wish to calculate=1084,1121 REFERENCE44A reference value for a given contact, by default is 0=0.68269 WEIGHT44A weight value for a given contact, by default is 1=1.0 SWITCH44The 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=0.59042 NN=6 MM=10}
ATOMS45the atoms involved in each of the contacts you wish to calculate=1084,1269 REFERENCE45A reference value for a given contact, by default is 0=0.16244 WEIGHT45A weight value for a given contact, by default is 1=1.0 SWITCH45The 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=0.30021 NN=6 MM=10}
ATOMS46the atoms involved in each of the contacts you wish to calculate=1087,1269 REFERENCE46A reference value for a given contact, by default is 0=0.20349 WEIGHT46A weight value for a given contact, by default is 1=1.0 SWITCH46The 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=0.30021 NN=6 MM=10}
ATOMS47the atoms involved in each of the contacts you wish to calculate=1094,1121 REFERENCE47A reference value for a given contact, by default is 0=0.07805 WEIGHT47A weight value for a given contact, by default is 1=1.0 SWITCH47The 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=0.30021 NN=6 MM=10}
ATOMS48the atoms involved in each of the contacts you wish to calculate=1201,1961 REFERENCE48A reference value for a given contact, by default is 0=0.73022 WEIGHT48A weight value for a given contact, by default is 1=1.0 SWITCH48The 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=0.59042 NN=6 MM=10}
ATOMS49the atoms involved in each of the contacts you wish to calculate=1201,2027 REFERENCE49A reference value for a given contact, by default is 0=0.37341 WEIGHT49A weight value for a given contact, by default is 1=1.0 SWITCH49The 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=0.30021 NN=6 MM=10}
ATOMS50the atoms involved in each of the contacts you wish to calculate=1201,2493 REFERENCE50A reference value for a given contact, by default is 0=0.86483 WEIGHT50A weight value for a given contact, by default is 1=1.0 SWITCH50The 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=0.59042 NN=6 MM=10}
ATOMS51the atoms involved in each of the contacts you wish to calculate=1213,1973 REFERENCE51A reference value for a given contact, by default is 0=0.75264 WEIGHT51A weight value for a given contact, by default is 1=1.0 SWITCH51The 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=0.59042 NN=6 MM=10}
ATOMS52the atoms involved in each of the contacts you wish to calculate=1213,2027 REFERENCE52A reference value for a given contact, by default is 0=0.24027 WEIGHT52A weight value for a given contact, by default is 1=1.0 SWITCH52The 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=0.30021 NN=6 MM=10}
ATOMS53the atoms involved in each of the contacts you wish to calculate=1234,2534 REFERENCE53A reference value for a given contact, by default is 0=0.48402 WEIGHT53A weight value for a given contact, by default is 1=1.0 SWITCH53The 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=0.30021 NN=6 MM=10}
ATOMS54the atoms involved in each of the contacts you wish to calculate=1234,2539 REFERENCE54A reference value for a given contact, by default is 0=0.82661 WEIGHT54A weight value for a given contact, by default is 1=1.0 SWITCH54The 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=0.59042 NN=6 MM=10}
ATOMS55the atoms involved in each of the contacts you wish to calculate=1240,2534 REFERENCE55A reference value for a given contact, by default is 0=0.82303 WEIGHT55A weight value for a given contact, by default is 1=1.0 SWITCH55The 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=0.59042 NN=6 MM=10}
ATOMS56the atoms involved in each of the contacts you wish to calculate=1240,2537 REFERENCE56A reference value for a given contact, by default is 0=0.47186 WEIGHT56A weight value for a given contact, by default is 1=1.0 SWITCH56The 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=0.59042 NN=6 MM=10}
ATOMS57the atoms involved in each of the contacts you wish to calculate=1264,1473 REFERENCE57A reference value for a given contact, by default is 0=0.72833 WEIGHT57A weight value for a given contact, by default is 1=1.0 SWITCH57The 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=0.59042 NN=6 MM=10}
ATOMS58the atoms involved in each of the contacts you wish to calculate=1312,1433 REFERENCE58A reference value for a given contact, by default is 0=0.81594 WEIGHT58A weight value for a given contact, by default is 1=1.0 SWITCH58The 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=0.59042 NN=6 MM=10}
ATOMS59the atoms involved in each of the contacts you wish to calculate=1361,1397 REFERENCE59A reference value for a given contact, by default is 0=0.33999 WEIGHT59A weight value for a given contact, by default is 1=1.0 SWITCH59The 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=0.30021 NN=6 MM=10}
ATOMS60the atoms involved in each of the contacts you wish to calculate=1372,1400 REFERENCE60A reference value for a given contact, by default is 0=0.80371 WEIGHT60A weight value for a given contact, by default is 1=1.0 SWITCH60The 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=0.59042 NN=6 MM=10}
ATOMS61the atoms involved in each of the contacts you wish to calculate=1521,2396 REFERENCE61A reference value for a given contact, by default is 0=0.81340 WEIGHT61A weight value for a given contact, by default is 1=1.0 SWITCH61The 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=0.59042 NN=6 MM=10}
ATOMS62the atoms involved in each of the contacts you wish to calculate=1523,1576 REFERENCE62A reference value for a given contact, by default is 0=0.17176 WEIGHT62A weight value for a given contact, by default is 1=1.0 SWITCH62The 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=0.30021 NN=6 MM=10}
ATOMS63the atoms involved in each of the contacts you wish to calculate=1523,2363 REFERENCE63A reference value for a given contact, by default is 0=0.28728 WEIGHT63A weight value for a given contact, by default is 1=1.0 SWITCH63The 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=0.30021 NN=6 MM=10}
ATOMS64the atoms involved in each of the contacts you wish to calculate=1535,1576 REFERENCE64A reference value for a given contact, by default is 0=0.20236 WEIGHT64A weight value for a given contact, by default is 1=1.0 SWITCH64The 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=0.30021 NN=6 MM=10}
ATOMS65the atoms involved in each of the contacts you wish to calculate=1569,1587 REFERENCE65A reference value for a given contact, by default is 0=0.56507 WEIGHT65A weight value for a given contact, by default is 1=1.0 SWITCH65The 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=0.59042 NN=6 MM=10}
ATOMS66the atoms involved in each of the contacts you wish to calculate=1569,1642 REFERENCE66A reference value for a given contact, by default is 0=0.46329 WEIGHT66A weight value for a given contact, by default is 1=1.0 SWITCH66The 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=0.59042 NN=6 MM=10}
ATOMS67the atoms involved in each of the contacts you wish to calculate=1611,2309 REFERENCE67A reference value for a given contact, by default is 0=0.75801 WEIGHT67A weight value for a given contact, by default is 1=1.0 SWITCH67The 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=0.59042 NN=6 MM=10}
ATOMS68the atoms involved in each of the contacts you wish to calculate=1674,1735 REFERENCE68A reference value for a given contact, by default is 0=0.35425 WEIGHT68A weight value for a given contact, by default is 1=1.0 SWITCH68The 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=0.30021 NN=6 MM=10}
ATOMS69the atoms involved in each of the contacts you wish to calculate=1752,1783 REFERENCE69A reference value for a given contact, by default is 0=0.88221 WEIGHT69A weight value for a given contact, by default is 1=1.0 SWITCH69The 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=0.59042 NN=6 MM=10}
ATOMS70the atoms involved in each of the contacts you wish to calculate=1804,1858 REFERENCE70A reference value for a given contact, by default is 0=0.84529 WEIGHT70A weight value for a given contact, by default is 1=1.0 SWITCH70The 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=0.59042 NN=6 MM=10}
ATOMS71the atoms involved in each of the contacts you wish to calculate=1807,1858 REFERENCE71A reference value for a given contact, by default is 0=0.71353 WEIGHT71A weight value for a given contact, by default is 1=1.0 SWITCH71The 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=0.59042 NN=6 MM=10}
ATOMS72the atoms involved in each of the contacts you wish to calculate=2051,4237 REFERENCE72A reference value for a given contact, by default is 0=0.25292 WEIGHT72A weight value for a given contact, by default is 1=1.0 SWITCH72The 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=0.30021 NN=6 MM=10}
ATOMS73the atoms involved in each of the contacts you wish to calculate=2086,2182 REFERENCE73A reference value for a given contact, by default is 0=0.77527 WEIGHT73A weight value for a given contact, by default is 1=1.0 SWITCH73The 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=0.59042 NN=6 MM=10}
ATOMS74the atoms involved in each of the contacts you wish to calculate=2105,2196 REFERENCE74A reference value for a given contact, by default is 0=0.16081 WEIGHT74A weight value for a given contact, by default is 1=1.0 SWITCH74The 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=0.30021 NN=6 MM=10}
ATOMS75the atoms involved in each of the contacts you wish to calculate=2105,3164 REFERENCE75A reference value for a given contact, by default is 0=0.70660 WEIGHT75A weight value for a given contact, by default is 1=1.0 SWITCH75The 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=0.59042 NN=6 MM=10}
ATOMS76the atoms involved in each of the contacts you wish to calculate=2177,2638 REFERENCE76A reference value for a given contact, by default is 0=0.97588 WEIGHT76A weight value for a given contact, by default is 1=1.0 SWITCH76The 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=0.88063 NN=6 MM=10}
ATOMS77the atoms involved in each of the contacts you wish to calculate=2177,2641 REFERENCE77A reference value for a given contact, by default is 0=0.92352 WEIGHT77A weight value for a given contact, by default is 1=1.0 SWITCH77The 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=0.59042 NN=6 MM=10}
ATOMS78the atoms involved in each of the contacts you wish to calculate=2177,2662 REFERENCE78A reference value for a given contact, by default is 0=0.97506 WEIGHT78A weight value for a given contact, by default is 1=1.0 SWITCH78The 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=0.59042 NN=6 MM=10}
ATOMS79the atoms involved in each of the contacts you wish to calculate=2177,2676 REFERENCE79A reference value for a given contact, by default is 0=0.96748 WEIGHT79A weight value for a given contact, by default is 1=1.0 SWITCH79The 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=0.59042 NN=6 MM=10}
ATOMS80the atoms involved in each of the contacts you wish to calculate=2180,2638 REFERENCE80A reference value for a given contact, by default is 0=0.87830 WEIGHT80A weight value for a given contact, by default is 1=1.0 SWITCH80The 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=0.59042 NN=6 MM=10}
ATOMS81the atoms involved in each of the contacts you wish to calculate=2180,2641 REFERENCE81A reference value for a given contact, by default is 0=0.85467 WEIGHT81A weight value for a given contact, by default is 1=1.0 SWITCH81The 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=0.59042 NN=6 MM=10}
ATOMS82the atoms involved in each of the contacts you wish to calculate=2212,2606 REFERENCE82A reference value for a given contact, by default is 0=0.77025 WEIGHT82A weight value for a given contact, by default is 1=1.0 SWITCH82The 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=0.59042 NN=6 MM=10}
ATOMS83the atoms involved in each of the contacts you wish to calculate=2212,2609 REFERENCE83A reference value for a given contact, by default is 0=0.96701 WEIGHT83A weight value for a given contact, by default is 1=1.0 SWITCH83The 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=0.59042 NN=6 MM=10}
ATOMS84the atoms involved in each of the contacts you wish to calculate=2212,2638 REFERENCE84A reference value for a given contact, by default is 0=0.93154 WEIGHT84A weight value for a given contact, by default is 1=1.0 SWITCH84The 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=0.59042 NN=6 MM=10}
ATOMS85the atoms involved in each of the contacts you wish to calculate=2215,2611 REFERENCE85A reference value for a given contact, by default is 0=0.93970 WEIGHT85A weight value for a given contact, by default is 1=1.0 SWITCH85The 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=0.59042 NN=6 MM=10}
ATOMS86the atoms involved in each of the contacts you wish to calculate=2217,2270 REFERENCE86A reference value for a given contact, by default is 0=0.80640 WEIGHT86A weight value for a given contact, by default is 1=1.0 SWITCH86The 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=0.59042 NN=6 MM=10}
ATOMS87the atoms involved in each of the contacts you wish to calculate=2229,2258 REFERENCE87A reference value for a given contact, by default is 0=0.90040 WEIGHT87A weight value for a given contact, by default is 1=1.0 SWITCH87The 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=0.59042 NN=6 MM=10}
ATOMS88the atoms involved in each of the contacts you wish to calculate=2229,2592 REFERENCE88A reference value for a given contact, by default is 0=0.82075 WEIGHT88A weight value for a given contact, by default is 1=1.0 SWITCH88The 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=0.59042 NN=6 MM=10}
ATOMS89the atoms involved in each of the contacts you wish to calculate=2229,2609 REFERENCE89A reference value for a given contact, by default is 0=0.48374 WEIGHT89A weight value for a given contact, by default is 1=1.0 SWITCH89The 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=0.30021 NN=6 MM=10}
ATOMS90the atoms involved in each of the contacts you wish to calculate=2234,2606 REFERENCE90A reference value for a given contact, by default is 0=0.94822 WEIGHT90A weight value for a given contact, by default is 1=1.0 SWITCH90The 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=0.59042 NN=6 MM=10}
ATOMS91the atoms involved in each of the contacts you wish to calculate=2258,2592 REFERENCE91A reference value for a given contact, by default is 0=0.91376 WEIGHT91A weight value for a given contact, by default is 1=1.0 SWITCH91The 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=0.59042 NN=6 MM=10}
ATOMS92the atoms involved in each of the contacts you wish to calculate=2284,2954 REFERENCE92A reference value for a given contact, by default is 0=0.65517 WEIGHT92A weight value for a given contact, by default is 1=1.0 SWITCH92The 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=0.59042 NN=6 MM=10}
ATOMS93the atoms involved in each of the contacts you wish to calculate=2345,2518 REFERENCE93A reference value for a given contact, by default is 0=0.81776 WEIGHT93A weight value for a given contact, by default is 1=1.0 SWITCH93The 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=0.59042 NN=6 MM=10}
ATOMS94the atoms involved in each of the contacts you wish to calculate=2398,2465 REFERENCE94A reference value for a given contact, by default is 0=0.90296 WEIGHT94A weight value for a given contact, by default is 1=1.0 SWITCH94The 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=0.59042 NN=6 MM=10}
ATOMS95the atoms involved in each of the contacts you wish to calculate=2515,2539 REFERENCE95A reference value for a given contact, by default is 0=0.70873 WEIGHT95A weight value for a given contact, by default is 1=1.0 SWITCH95The 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=0.59042 NN=6 MM=10}
ATOMS96the atoms involved in each of the contacts you wish to calculate=2563,2611 REFERENCE96A reference value for a given contact, by default is 0=0.92926 WEIGHT96A weight value for a given contact, by default is 1=1.0 SWITCH96The 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=0.59042 NN=6 MM=10}
ATOMS97the atoms involved in each of the contacts you wish to calculate=2565,2616 REFERENCE97A reference value for a given contact, by default is 0=0.94251 WEIGHT97A weight value for a given contact, by default is 1=1.0 SWITCH97The 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=0.88063 NN=6 MM=10}
ATOMS98the atoms involved in each of the contacts you wish to calculate=2580,2611 REFERENCE98A reference value for a given contact, by default is 0=0.97263 WEIGHT98A weight value for a given contact, by default is 1=1.0 SWITCH98The 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=0.59042 NN=6 MM=10}
ATOMS99the atoms involved in each of the contacts you wish to calculate=2580,2616 REFERENCE99A reference value for a given contact, by default is 0=0.96777 WEIGHT99A weight value for a given contact, by default is 1=1.0 SWITCH99The 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=0.59042 NN=6 MM=10}
ATOMS100the atoms involved in each of the contacts you wish to calculate=2587,2616 REFERENCE100A reference value for a given contact, by default is 0=0.87756 WEIGHT100A weight value for a given contact, by default is 1=1.0 SWITCH100The 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=0.59042 NN=6 MM=10}
ATOMS101the atoms involved in each of the contacts you wish to calculate=2660,2760 REFERENCE101A reference value for a given contact, by default is 0=0.80946 WEIGHT101A weight value for a given contact, by default is 1=1.0 SWITCH101The 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=0.88063 NN=6 MM=10}
ATOMS102the atoms involved in each of the contacts you wish to calculate=2660,2765 REFERENCE102A reference value for a given contact, by default is 0=0.46231 WEIGHT102A weight value for a given contact, by default is 1=1.0 SWITCH102The 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=0.59042 NN=6 MM=10}
ATOMS103the atoms involved in each of the contacts you wish to calculate=2662,2723 REFERENCE103A reference value for a given contact, by default is 0=0.88913 WEIGHT103A weight value for a given contact, by default is 1=1.0 SWITCH103The 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=0.59042 NN=6 MM=10}
ATOMS104the atoms involved in each of the contacts you wish to calculate=2679,2723 REFERENCE104A reference value for a given contact, by default is 0=0.56411 WEIGHT104A weight value for a given contact, by default is 1=1.0 SWITCH104The 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=0.59042 NN=6 MM=10}
ATOMS105the atoms involved in each of the contacts you wish to calculate=2723,2760 REFERENCE105A reference value for a given contact, by default is 0=0.69299 WEIGHT105A weight value for a given contact, by default is 1=1.0 SWITCH105The 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=0.59042 NN=6 MM=10}
ATOMS106the atoms involved in each of the contacts you wish to calculate=2745,3145 REFERENCE106A reference value for a given contact, by default is 0=0.96784 WEIGHT106A weight value for a given contact, by default is 1=1.0 SWITCH106The 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=0.88063 NN=6 MM=10}
ATOMS107the atoms involved in each of the contacts you wish to calculate=2745,3150 REFERENCE107A reference value for a given contact, by default is 0=0.97128 WEIGHT107A weight value for a given contact, by default is 1=1.0 SWITCH107The 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=0.88063 NN=6 MM=10}
ATOMS108the atoms involved in each of the contacts you wish to calculate=2765,3129 REFERENCE108A reference value for a given contact, by default is 0=0.87989 WEIGHT108A weight value for a given contact, by default is 1=1.0 SWITCH108The 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=0.59042 NN=6 MM=10}
ATOMS109the atoms involved in each of the contacts you wish to calculate=2765,3145 REFERENCE109A reference value for a given contact, by default is 0=0.92270 WEIGHT109A weight value for a given contact, by default is 1=1.0 SWITCH109The 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=0.59042 NN=6 MM=10}
ATOMS110the atoms involved in each of the contacts you wish to calculate=2781,3105 REFERENCE110A reference value for a given contact, by default is 0=0.91361 WEIGHT110A weight value for a given contact, by default is 1=1.0 SWITCH110The 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=0.59042 NN=6 MM=10}
ATOMS111the atoms involved in each of the contacts you wish to calculate=2781,3129 REFERENCE111A reference value for a given contact, by default is 0=0.95139 WEIGHT111A weight value for a given contact, by default is 1=1.0 SWITCH111The 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=0.59042 NN=6 MM=10}
ATOMS112the atoms involved in each of the contacts you wish to calculate=2781,3145 REFERENCE112A reference value for a given contact, by default is 0=0.92951 WEIGHT112A weight value for a given contact, by default is 1=1.0 SWITCH112The 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=0.59042 NN=6 MM=10}
ATOMS113the atoms involved in each of the contacts you wish to calculate=2784,3105 REFERENCE113A reference value for a given contact, by default is 0=0.94186 WEIGHT113A weight value for a given contact, by default is 1=1.0 SWITCH113The 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=0.59042 NN=6 MM=10}
ATOMS114the atoms involved in each of the contacts you wish to calculate=2803,3020 REFERENCE114A reference value for a given contact, by default is 0=0.82073 WEIGHT114A weight value for a given contact, by default is 1=1.0 SWITCH114The 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=1.17084 NN=6 MM=10}
ATOMS115the atoms involved in each of the contacts you wish to calculate=2803,3026 REFERENCE115A reference value for a given contact, by default is 0=0.63814 WEIGHT115A weight value for a given contact, by default is 1=1.0 SWITCH115The 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=0.88063 NN=6 MM=10}
ATOMS116the atoms involved in each of the contacts you wish to calculate=2803,3105 REFERENCE116A reference value for a given contact, by default is 0=0.95132 WEIGHT116A weight value for a given contact, by default is 1=1.0 SWITCH116The 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=0.88063 NN=6 MM=10}
ATOMS117the atoms involved in each of the contacts you wish to calculate=2803,3124 REFERENCE117A reference value for a given contact, by default is 0=0.91428 WEIGHT117A weight value for a given contact, by default is 1=1.0 SWITCH117The 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=1.17084 NN=6 MM=10}
ATOMS118the atoms involved in each of the contacts you wish to calculate=2803,3129 REFERENCE118A reference value for a given contact, by default is 0=0.82436 WEIGHT118A weight value for a given contact, by default is 1=1.0 SWITCH118The 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=0.88063 NN=6 MM=10}
ATOMS119the atoms involved in each of the contacts you wish to calculate=2808,3105 REFERENCE119A reference value for a given contact, by default is 0=0.98285 WEIGHT119A weight value for a given contact, by default is 1=1.0 SWITCH119The 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=0.88063 NN=6 MM=10}
ATOMS120the atoms involved in each of the contacts you wish to calculate=2826,3026 REFERENCE120A reference value for a given contact, by default is 0=0.84400 WEIGHT120A weight value for a given contact, by default is 1=1.0 SWITCH120The 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=1.17084 NN=6 MM=10}
ATOMS121the atoms involved in each of the contacts you wish to calculate=2883,3587 REFERENCE121A reference value for a given contact, by default is 0=0.35392 WEIGHT121A weight value for a given contact, by default is 1=1.0 SWITCH121The 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=0.88063 NN=6 MM=10}
ATOMS122the atoms involved in each of the contacts you wish to calculate=2889,2913 REFERENCE122A reference value for a given contact, by default is 0=0.79767 WEIGHT122A weight value for a given contact, by default is 1=1.0 SWITCH122The 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=0.59042 NN=6 MM=10}
ATOMS123the atoms involved in each of the contacts you wish to calculate=2913,3498 REFERENCE123A reference value for a given contact, by default is 0=0.79611 WEIGHT123A weight value for a given contact, by default is 1=1.0 SWITCH123The 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=0.59042 NN=6 MM=10}
ATOMS124the atoms involved in each of the contacts you wish to calculate=2930,3498 REFERENCE124A reference value for a given contact, by default is 0=0.63358 WEIGHT124A weight value for a given contact, by default is 1=1.0 SWITCH124The 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=0.59042 NN=6 MM=10}
ATOMS125the atoms involved in each of the contacts you wish to calculate=2954,3256 REFERENCE125A reference value for a given contact, by default is 0=0.78236 WEIGHT125A weight value for a given contact, by default is 1=1.0 SWITCH125The 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=0.59042 NN=6 MM=10}
ATOMS126the atoms involved in each of the contacts you wish to calculate=2976,3196 REFERENCE126A reference value for a given contact, by default is 0=0.28698 WEIGHT126A weight value for a given contact, by default is 1=1.0 SWITCH126The 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=0.30021 NN=6 MM=10}
ATOMS127the atoms involved in each of the contacts you wish to calculate=3005,3124 REFERENCE127A reference value for a given contact, by default is 0=0.74406 WEIGHT127A weight value for a given contact, by default is 1=1.0 SWITCH127The 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=0.59042 NN=6 MM=10}
ATOMS128the atoms involved in each of the contacts you wish to calculate=3015,3110 REFERENCE128A reference value for a given contact, by default is 0=0.18383 WEIGHT128A weight value for a given contact, by default is 1=1.0 SWITCH128The 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=0.30021 NN=6 MM=10}
ATOMS129the atoms involved in each of the contacts you wish to calculate=3015,3124 REFERENCE129A reference value for a given contact, by default is 0=0.23689 WEIGHT129A weight value for a given contact, by default is 1=1.0 SWITCH129The 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=0.30021 NN=6 MM=10}
ATOMS130the atoms involved in each of the contacts you wish to calculate=3018,3084 REFERENCE130A reference value for a given contact, by default is 0=0.83718 WEIGHT130A weight value for a given contact, by default is 1=1.0 SWITCH130The 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=0.59042 NN=6 MM=10}
ATOMS131the atoms involved in each of the contacts you wish to calculate=3026,3084 REFERENCE131A reference value for a given contact, by default is 0=0.41352 WEIGHT131A weight value for a given contact, by default is 1=1.0 SWITCH131The 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=0.30021 NN=6 MM=10}
ATOMS132the atoms involved in each of the contacts you wish to calculate=3069,3110 REFERENCE132A reference value for a given contact, by default is 0=0.15138 WEIGHT132A weight value for a given contact, by default is 1=1.0 SWITCH132The 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=0.30021 NN=6 MM=10}
ATOMS133the atoms involved in each of the contacts you wish to calculate=3159,3209 REFERENCE133A reference value for a given contact, by default is 0=0.19325 WEIGHT133A weight value for a given contact, by default is 1=1.0 SWITCH133The 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=0.30021 NN=6 MM=10}
ATOMS134the atoms involved in each of the contacts you wish to calculate=3179,3221 REFERENCE134A reference value for a given contact, by default is 0=0.87995 WEIGHT134A weight value for a given contact, by default is 1=1.0 SWITCH134The 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=0.59042 NN=6 MM=10}
ATOMS135the atoms involved in each of the contacts you wish to calculate=3193,3237 REFERENCE135A reference value for a given contact, by default is 0=0.26322 WEIGHT135A weight value for a given contact, by default is 1=1.0 SWITCH135The 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=0.30021 NN=6 MM=10}
ATOMS136the atoms involved in each of the contacts you wish to calculate=3235,4061 REFERENCE136A reference value for a given contact, by default is 0=0.86573 WEIGHT136A weight value for a given contact, by default is 1=1.0 SWITCH136The 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=0.59042 NN=6 MM=10}
ATOMS137the atoms involved in each of the contacts you wish to calculate=3291,4004 REFERENCE137A reference value for a given contact, by default is 0=0.81902 WEIGHT137A weight value for a given contact, by default is 1=1.0 SWITCH137The 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=0.59042 NN=6 MM=10}
ATOMS138the atoms involved in each of the contacts you wish to calculate=3311,3370 REFERENCE138A reference value for a given contact, by default is 0=0.26976 WEIGHT138A weight value for a given contact, by default is 1=1.0 SWITCH138The 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=0.30021 NN=6 MM=10}
ATOMS139the atoms involved in each of the contacts you wish to calculate=3365,3404 REFERENCE139A reference value for a given contact, by default is 0=0.27033 WEIGHT139A weight value for a given contact, by default is 1=1.0 SWITCH139The 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=0.30021 NN=6 MM=10}
ATOMS140the atoms involved in each of the contacts you wish to calculate=3404,3877 REFERENCE140A reference value for a given contact, by default is 0=0.78085 WEIGHT140A weight value for a given contact, by default is 1=1.0 SWITCH140The 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=0.59042 NN=6 MM=10}
ATOMS141the atoms involved in each of the contacts you wish to calculate=3490,3530 REFERENCE141A reference value for a given contact, by default is 0=0.37714 WEIGHT141A weight value for a given contact, by default is 1=1.0 SWITCH141The 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=0.30021 NN=6 MM=10}
ATOMS142the atoms involved in each of the contacts you wish to calculate=3504,3530 REFERENCE142A reference value for a given contact, by default is 0=0.68532 WEIGHT142A weight value for a given contact, by default is 1=1.0 SWITCH142The 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=0.59042 NN=6 MM=10}
ATOMS143the atoms involved in each of the contacts you wish to calculate=3525,3549 REFERENCE143A reference value for a given contact, by default is 0=0.27952 WEIGHT143A weight value for a given contact, by default is 1=1.0 SWITCH143The 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=0.30021 NN=6 MM=10}
ATOMS144the atoms involved in each of the contacts you wish to calculate=3525,3563 REFERENCE144A reference value for a given contact, by default is 0=0.25207 WEIGHT144A weight value for a given contact, by default is 1=1.0 SWITCH144The 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=0.30021 NN=6 MM=10}
ATOMS145the atoms involved in each of the contacts you wish to calculate=3613,3648 REFERENCE145A reference value for a given contact, by default is 0=0.42505 WEIGHT145A weight value for a given contact, by default is 1=1.0 SWITCH145The 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=0.30021 NN=6 MM=10}
ATOMS146the atoms involved in each of the contacts you wish to calculate=3632,3659 REFERENCE146A reference value for a given contact, by default is 0=0.28337 WEIGHT146A weight value for a given contact, by default is 1=1.0 SWITCH146The 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=0.30021 NN=6 MM=10}
ATOMS147the atoms involved in each of the contacts you wish to calculate=3712,3741 REFERENCE147A reference value for a given contact, by default is 0=0.73701 WEIGHT147A weight value for a given contact, by default is 1=1.0 SWITCH147The 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=0.59042 NN=6 MM=10}
ATOMS148the atoms involved in each of the contacts you wish to calculate=3813,3949 REFERENCE148A reference value for a given contact, by default is 0=0.71641 WEIGHT148A weight value for a given contact, by default is 1=1.0 SWITCH148The 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=0.59042 NN=6 MM=10}
ATOMS149the atoms involved in each of the contacts you wish to calculate=3853,3883 REFERENCE149A reference value for a given contact, by default is 0=0.11641 WEIGHT149A weight value for a given contact, by default is 1=1.0 SWITCH149The 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=0.30021 NN=6 MM=10}
ATOMS150the atoms involved in each of the contacts you wish to calculate=3916,3970 REFERENCE150A reference value for a given contact, by default is 0=0.43289 WEIGHT150A weight value for a given contact, by default is 1=1.0 SWITCH150The 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=0.30021 NN=6 MM=10}
ATOMS151the atoms involved in each of the contacts you wish to calculate=4018,4072 REFERENCE151A reference value for a given contact, by default is 0=0.28402 WEIGHT151A weight value for a given contact, by default is 1=1.0 SWITCH151The 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=0.30021 NN=6 MM=10}
ATOMS152the atoms involved in each of the contacts you wish to calculate=4067,4108 REFERENCE152A reference value for a given contact, by default is 0=0.83610 WEIGHT152A weight value for a given contact, by default is 1=1.0 SWITCH152The 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=0.59042 NN=6 MM=10}
ATOMS153the atoms involved in each of the contacts you wish to calculate=4096,4177 REFERENCE153A reference value for a given contact, by default is 0=0.78260 WEIGHT153A weight value for a given contact, by default is 1=1.0 SWITCH153The 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=0.59042 NN=6 MM=10}
ATOMS154the atoms involved in each of the contacts you wish to calculate=4108,4177 REFERENCE154A reference value for a given contact, by default is 0=0.68041 WEIGHT154A weight value for a given contact, by default is 1=1.0 SWITCH154The 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=0.59042 NN=6 MM=10}
ATOMS155the atoms involved in each of the contacts you wish to calculate=4139,4177 REFERENCE155A reference value for a given contact, by default is 0=0.77358 WEIGHT155A weight value for a given contact, by default is 1=1.0 SWITCH155The 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=0.59042 NN=6 MM=10}
ATOMS156the atoms involved in each of the contacts you wish to calculate=4152,4196 REFERENCE156A reference value for a given contact, by default is 0=0.76186 WEIGHT156A weight value for a given contact, by default is 1=1.0 SWITCH156The 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=0.59042 NN=6 MM=10}
ATOMS157the atoms involved in each of the contacts you wish to calculate=4235,4296 REFERENCE157A reference value for a given contact, by default is 0=0.21314 WEIGHT157A weight value for a given contact, by default is 1=1.0 SWITCH157The 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=0.30021 NN=6 MM=10}
ATOMS158the atoms involved in each of the contacts you wish to calculate=1017,745 REFERENCE158A reference value for a given contact, by default is 0=0.98705 WEIGHT158A weight value for a given contact, by default is 1=1.0 SWITCH158The 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=0.59042 NN=6 MM=10}
ATOMS159the atoms involved in each of the contacts you wish to calculate=1018,745 REFERENCE159A reference value for a given contact, by default is 0=0.99109 WEIGHT159A weight value for a given contact, by default is 1=1.0 SWITCH159The 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=0.59042 NN=6 MM=10}
ATOMS160the atoms involved in each of the contacts you wish to calculate=1018,739 REFERENCE160A reference value for a given contact, by default is 0=0.95348 WEIGHT160A weight value for a given contact, by default is 1=1.0 SWITCH160The 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=0.59042 NN=6 MM=10}
ATOMS161the atoms involved in each of the contacts you wish to calculate=200,499 REFERENCE161A reference value for a given contact, by default is 0=0.23006 WEIGHT161A weight value for a given contact, by default is 1=1.0 SWITCH161The 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=0.30021 NN=6 MM=10}
ATOMS162the atoms involved in each of the contacts you wish to calculate=242,432 REFERENCE162A reference value for a given contact, by default is 0=0.24715 WEIGHT162A weight value for a given contact, by default is 1=1.0 SWITCH162The 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=0.30021 NN=6 MM=10}
ATOMS163the atoms involved in each of the contacts you wish to calculate=300,427 REFERENCE163A reference value for a given contact, by default is 0=0.87068 WEIGHT163A weight value for a given contact, by default is 1=1.0 SWITCH163The 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=0.59042 NN=6 MM=10}
ATOMS164the atoms involved in each of the contacts you wish to calculate=342,397 REFERENCE164A reference value for a given contact, by default is 0=0.89218 WEIGHT164A weight value for a given contact, by default is 1=1.0 SWITCH164The 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=0.59042 NN=6 MM=10}
ATOMS165the atoms involved in each of the contacts you wish to calculate=342,400 REFERENCE165A reference value for a given contact, by default is 0=0.47556 WEIGHT165A weight value for a given contact, by default is 1=1.0 SWITCH165The 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=0.30021 NN=6 MM=10}
ATOMS166the atoms involved in each of the contacts you wish to calculate=342,416 REFERENCE166A reference value for a given contact, by default is 0=0.19466 WEIGHT166A weight value for a given contact, by default is 1=1.0 SWITCH166The 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=0.30021 NN=6 MM=10}
ATOMS167the atoms involved in each of the contacts you wish to calculate=342,427 REFERENCE167A reference value for a given contact, by default is 0=0.34187 WEIGHT167A weight value for a given contact, by default is 1=1.0 SWITCH167The 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=0.30021 NN=6 MM=10}
ATOMS168the atoms involved in each of the contacts you wish to calculate=345,397 REFERENCE168A reference value for a given contact, by default is 0=0.92586 WEIGHT168A weight value for a given contact, by default is 1=1.0 SWITCH168The 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=0.59042 NN=6 MM=10}
ATOMS169the atoms involved in each of the contacts you wish to calculate=345,400 REFERENCE169A reference value for a given contact, by default is 0=0.16525 WEIGHT169A weight value for a given contact, by default is 1=1.0 SWITCH169The 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=0.30021 NN=6 MM=10}
ATOMS170the atoms involved in each of the contacts you wish to calculate=360,373 REFERENCE170A reference value for a given contact, by default is 0=0.19486 WEIGHT170A weight value for a given contact, by default is 1=1.0 SWITCH170The 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=0.30021 NN=6 MM=10}
ATOMS171the atoms involved in each of the contacts you wish to calculate=360,397 REFERENCE171A reference value for a given contact, by default is 0=0.45163 WEIGHT171A weight value for a given contact, by default is 1=1.0 SWITCH171The 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=0.30021 NN=6 MM=10}
ATOMS172the atoms involved in each of the contacts you wish to calculate=365,2830 REFERENCE172A reference value for a given contact, by default is 0=0.35137 WEIGHT172A weight value for a given contact, by default is 1=1.0 SWITCH172The 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=1.17084 NN=6 MM=10}
ATOMS173the atoms involved in each of the contacts you wish to calculate=365,2833 REFERENCE173A reference value for a given contact, by default is 0=0.22964 WEIGHT173A weight value for a given contact, by default is 1=1.0 SWITCH173The 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=0.88063 NN=6 MM=10}
ATOMS174the atoms involved in each of the contacts you wish to calculate=390,765 REFERENCE174A reference value for a given contact, by default is 0=0.86338 WEIGHT174A weight value for a given contact, by default is 1=1.0 SWITCH174The 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=0.59042 NN=6 MM=10}
ATOMS175the atoms involved in each of the contacts you wish to calculate=390,768 REFERENCE175A reference value for a given contact, by default is 0=0.29661 WEIGHT175A weight value for a given contact, by default is 1=1.0 SWITCH175The 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=0.30021 NN=6 MM=10}
ATOMS176the atoms involved in each of the contacts you wish to calculate=393,765 REFERENCE176A reference value for a given contact, by default is 0=0.59315 WEIGHT176A weight value for a given contact, by default is 1=1.0 SWITCH176The 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=0.30021 NN=6 MM=10}
ATOMS177the atoms involved in each of the contacts you wish to calculate=393,768 REFERENCE177A reference value for a given contact, by default is 0=0.18902 WEIGHT177A weight value for a given contact, by default is 1=1.0 SWITCH177The 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=0.30021 NN=6 MM=10}
ATOMS178the atoms involved in each of the contacts you wish to calculate=411,755 REFERENCE178A reference value for a given contact, by default is 0=0.31201 WEIGHT178A weight value for a given contact, by default is 1=1.0 SWITCH178The 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=0.30021 NN=6 MM=10}
ATOMS179the atoms involved in each of the contacts you wish to calculate=411,765 REFERENCE179A reference value for a given contact, by default is 0=0.45627 WEIGHT179A weight value for a given contact, by default is 1=1.0 SWITCH179The 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=0.30021 NN=6 MM=10}
ATOMS180the atoms involved in each of the contacts you wish to calculate=414,731 REFERENCE180A reference value for a given contact, by default is 0=0.21277 WEIGHT180A weight value for a given contact, by default is 1=1.0 SWITCH180The 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=0.30021 NN=6 MM=10}
ATOMS181the atoms involved in each of the contacts you wish to calculate=448,714 REFERENCE181A reference value for a given contact, by default is 0=0.75812 WEIGHT181A weight value for a given contact, by default is 1=1.0 SWITCH181The 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=0.59042 NN=6 MM=10}
ATOMS182the atoms involved in each of the contacts you wish to calculate=520,633 REFERENCE182A reference value for a given contact, by default is 0=0.88217 WEIGHT182A weight value for a given contact, by default is 1=1.0 SWITCH182The 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=0.59042 NN=6 MM=10}
ATOMS183the atoms involved in each of the contacts you wish to calculate=547,590 REFERENCE183A reference value for a given contact, by default is 0=0.56727 WEIGHT183A weight value for a given contact, by default is 1=1.0 SWITCH183The 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=0.59042 NN=6 MM=10}
ATOMS184the atoms involved in each of the contacts you wish to calculate=580,628 REFERENCE184A reference value for a given contact, by default is 0=0.87667 WEIGHT184A weight value for a given contact, by default is 1=1.0 SWITCH184The 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=0.59042 NN=6 MM=10}
ATOMS185the atoms involved in each of the contacts you wish to calculate=590,628 REFERENCE185A reference value for a given contact, by default is 0=0.67532 WEIGHT185A weight value for a given contact, by default is 1=1.0 SWITCH185The 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=0.59042 NN=6 MM=10}
ATOMS186the atoms involved in each of the contacts you wish to calculate=683,1482 REFERENCE186A reference value for a given contact, by default is 0=0.77462 WEIGHT186A weight value for a given contact, by default is 1=1.0 SWITCH186The 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=0.59042 NN=6 MM=10}
ATOMS187the atoms involved in each of the contacts you wish to calculate=683,1485 REFERENCE187A reference value for a given contact, by default is 0=0.82640 WEIGHT187A weight value for a given contact, by default is 1=1.0 SWITCH187The 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=0.59042 NN=6 MM=10}
ATOMS188the atoms involved in each of the contacts you wish to calculate=688,1482 REFERENCE188A reference value for a given contact, by default is 0=0.41466 WEIGHT188A weight value for a given contact, by default is 1=1.0 SWITCH188The 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=0.30021 NN=6 MM=10}
ATOMS189the atoms involved in each of the contacts you wish to calculate=753,1416 REFERENCE189A reference value for a given contact, by default is 0=0.70284 WEIGHT189A weight value for a given contact, by default is 1=1.0 SWITCH189The 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=0.59042 NN=6 MM=10}
ATOMS190the atoms involved in each of the contacts you wish to calculate=770,1413 REFERENCE190A reference value for a given contact, by default is 0=0.09081 WEIGHT190A weight value for a given contact, by default is 1=1.0 SWITCH190The 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=0.30021 NN=6 MM=10}
ATOMS191the atoms involved in each of the contacts you wish to calculate=784,1413 REFERENCE191A reference value for a given contact, by default is 0=0.58999 WEIGHT191A weight value for a given contact, by default is 1=1.0 SWITCH191The 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=0.59042 NN=6 MM=10}
ATOMS192the atoms involved in each of the contacts you wish to calculate=808,847 REFERENCE192A reference value for a given contact, by default is 0=0.15957 WEIGHT192A weight value for a given contact, by default is 1=1.0 SWITCH192The 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=0.59042 NN=6 MM=10}
ATOMS193the atoms involved in each of the contacts you wish to calculate=811,1383 REFERENCE193A reference value for a given contact, by default is 0=0.12145 WEIGHT193A weight value for a given contact, by default is 1=1.0 SWITCH193The 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=0.30021 NN=6 MM=10}
ATOMS194the atoms involved in each of the contacts you wish to calculate=847,2660 REFERENCE194A reference value for a given contact, by default is 0=0.00847 WEIGHT194A weight value for a given contact, by default is 1=1.0 SWITCH194The 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=0.88063 NN=6 MM=10}
ATOMS195the atoms involved in each of the contacts you wish to calculate=847,2676 REFERENCE195A reference value for a given contact, by default is 0=0.00693 WEIGHT195A weight value for a given contact, by default is 1=1.0 SWITCH195The 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=0.88063 NN=6 MM=10}
ATOMS196the atoms involved in each of the contacts you wish to calculate=850,2676 REFERENCE196A reference value for a given contact, by default is 0=0.03143 WEIGHT196A weight value for a given contact, by default is 1=1.0 SWITCH196The 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=1.17084 NN=6 MM=10}
ATOMS197the atoms involved in each of the contacts you wish to calculate=852,894 REFERENCE197A reference value for a given contact, by default is 0=0.65282 WEIGHT197A weight value for a given contact, by default is 1=1.0 SWITCH197The 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=0.59042 NN=6 MM=10}
ATOMS198the atoms involved in each of the contacts you wish to calculate=858,894 REFERENCE198A reference value for a given contact, by default is 0=0.13676 WEIGHT198A weight value for a given contact, by default is 1=1.0 SWITCH198The 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=0.30021 NN=6 MM=10}
ATOMS199the atoms involved in each of the contacts you wish to calculate=877,945 REFERENCE199A reference value for a given contact, by default is 0=0.36027 WEIGHT199A weight value for a given contact, by default is 1=1.0 SWITCH199The 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=0.59042 NN=6 MM=10}
ATOMS200the atoms involved in each of the contacts you wish to calculate=904,921 REFERENCE200A reference value for a given contact, by default is 0=0.70422 WEIGHT200A weight value for a given contact, by default is 1=1.0 SWITCH200The 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=0.59042 NN=6 MM=10}
ATOMS201the atoms involved in each of the contacts you wish to calculate=909,1372 REFERENCE201A reference value for a given contact, by default is 0=0.21799 WEIGHT201A weight value for a given contact, by default is 1=1.0 SWITCH201The 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=0.59042 NN=6 MM=10}
ATOMS202the atoms involved in each of the contacts you wish to calculate=918,960 REFERENCE202A reference value for a given contact, by default is 0=0.45967 WEIGHT202A weight value for a given contact, by default is 1=1.0 SWITCH202The 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=0.30021 NN=6 MM=10}
ATOMS203the atoms involved in each of the contacts you wish to calculate=918,979 REFERENCE203A reference value for a given contact, by default is 0=0.20372 WEIGHT203A weight value for a given contact, by default is 1=1.0 SWITCH203The 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=0.30021 NN=6 MM=10}
ATOMS204the atoms involved in each of the contacts you wish to calculate=996,1035 REFERENCE204A reference value for a given contact, by default is 0=0.83251 WEIGHT204A weight value for a given contact, by default is 1=1.0 SWITCH204The 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=0.59042 NN=6 MM=10}
ATOMS205the atoms involved in each of the contacts you wish to calculate=1005,1035 REFERENCE205A reference value for a given contact, by default is 0=0.33718 WEIGHT205A weight value for a given contact, by default is 1=1.0 SWITCH205The 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=0.30021 NN=6 MM=10}
ATOMS206the atoms involved in each of the contacts you wish to calculate=1033,1089 REFERENCE206A reference value for a given contact, by default is 0=0.22163 WEIGHT206A weight value for a given contact, by default is 1=1.0 SWITCH206The 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=0.30021 NN=6 MM=10}
ATOMS207the atoms involved in each of the contacts you wish to calculate=1110,1245 REFERENCE207A reference value for a given contact, by default is 0=0.33095 WEIGHT207A weight value for a given contact, by default is 1=1.0 SWITCH207The 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=0.59042 NN=6 MM=10}
ATOMS208the atoms involved in each of the contacts you wish to calculate=1121,1182 REFERENCE208A reference value for a given contact, by default is 0=0.85539 WEIGHT208A weight value for a given contact, by default is 1=1.0 SWITCH208The 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=0.88063 NN=6 MM=10}
ATOMS209the atoms involved in each of the contacts you wish to calculate=1121,1229 REFERENCE209A reference value for a given contact, by default is 0=0.35686 WEIGHT209A weight value for a given contact, by default is 1=1.0 SWITCH209The 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=0.59042 NN=6 MM=10}
ATOMS210the atoms involved in each of the contacts you wish to calculate=1196,2493 REFERENCE210A reference value for a given contact, by default is 0=0.20045 WEIGHT210A weight value for a given contact, by default is 1=1.0 SWITCH210The 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=0.30021 NN=6 MM=10}
ATOMS211the atoms involved in each of the contacts you wish to calculate=1234,2537 REFERENCE211A reference value for a given contact, by default is 0=0.13894 WEIGHT211A weight value for a given contact, by default is 1=1.0 SWITCH211The 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=0.30021 NN=6 MM=10}
ATOMS212the atoms involved in each of the contacts you wish to calculate=1264,1468 REFERENCE212A reference value for a given contact, by default is 0=0.74087 WEIGHT212A weight value for a given contact, by default is 1=1.0 SWITCH212The 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=0.59042 NN=6 MM=10}
ATOMS213the atoms involved in each of the contacts you wish to calculate=1269,1309 REFERENCE213A reference value for a given contact, by default is 0=0.71455 WEIGHT213A weight value for a given contact, by default is 1=1.0 SWITCH213The 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=0.59042 NN=6 MM=10}
ATOMS214the atoms involved in each of the contacts you wish to calculate=1339,1397 REFERENCE214A reference value for a given contact, by default is 0=0.23039 WEIGHT214A weight value for a given contact, by default is 1=1.0 SWITCH214The 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=0.30021 NN=6 MM=10}
ATOMS215the atoms involved in each of the contacts you wish to calculate=1342,1397 REFERENCE215A reference value for a given contact, by default is 0=0.11349 WEIGHT215A weight value for a given contact, by default is 1=1.0 SWITCH215The 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=0.30021 NN=6 MM=10}
ATOMS216the atoms involved in each of the contacts you wish to calculate=1342,1400 REFERENCE216A reference value for a given contact, by default is 0=0.84769 WEIGHT216A weight value for a given contact, by default is 1=1.0 SWITCH216The 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=0.59042 NN=6 MM=10}
ATOMS217the atoms involved in each of the contacts you wish to calculate=1523,2396 REFERENCE217A reference value for a given contact, by default is 0=0.86375 WEIGHT217A weight value for a given contact, by default is 1=1.0 SWITCH217The 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=0.59042 NN=6 MM=10}
ATOMS218the atoms involved in each of the contacts you wish to calculate=1554,2382 REFERENCE218A reference value for a given contact, by default is 0=0.23772 WEIGHT218A weight value for a given contact, by default is 1=1.0 SWITCH218The 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=0.30021 NN=6 MM=10}
ATOMS219the atoms involved in each of the contacts you wish to calculate=1576,2382 REFERENCE219A reference value for a given contact, by default is 0=0.23094 WEIGHT219A weight value for a given contact, by default is 1=1.0 SWITCH219The 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=0.30021 NN=6 MM=10}
ATOMS220the atoms involved in each of the contacts you wish to calculate=1611,2299 REFERENCE220A reference value for a given contact, by default is 0=0.33334 WEIGHT220A weight value for a given contact, by default is 1=1.0 SWITCH220The 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=0.30021 NN=6 MM=10}
ATOMS221the atoms involved in each of the contacts you wish to calculate=1611,2304 REFERENCE221A reference value for a given contact, by default is 0=0.38113 WEIGHT221A weight value for a given contact, by default is 1=1.0 SWITCH221The 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=0.30021 NN=6 MM=10}
ATOMS222the atoms involved in each of the contacts you wish to calculate=1640,1703 REFERENCE222A reference value for a given contact, by default is 0=0.65271 WEIGHT222A weight value for a given contact, by default is 1=1.0 SWITCH222The 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=0.59042 NN=6 MM=10}
ATOMS223the atoms involved in each of the contacts you wish to calculate=1658,1703 REFERENCE223A reference value for a given contact, by default is 0=0.22840 WEIGHT223A weight value for a given contact, by default is 1=1.0 SWITCH223The 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=0.30021 NN=6 MM=10}
ATOMS224the atoms involved in each of the contacts you wish to calculate=1674,1733 REFERENCE224A reference value for a given contact, by default is 0=0.42245 WEIGHT224A weight value for a given contact, by default is 1=1.0 SWITCH224The 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=0.30021 NN=6 MM=10}
ATOMS225the atoms involved in each of the contacts you wish to calculate=1677,3450 REFERENCE225A reference value for a given contact, by default is 0=0.26048 WEIGHT225A weight value for a given contact, by default is 1=1.0 SWITCH225The 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=0.30021 NN=6 MM=10}
ATOMS226the atoms involved in each of the contacts you wish to calculate=1730,1755 REFERENCE226A reference value for a given contact, by default is 0=0.29062 WEIGHT226A weight value for a given contact, by default is 1=1.0 SWITCH226The 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=0.30021 NN=6 MM=10}
ATOMS227the atoms involved in each of the contacts you wish to calculate=1730,1769 REFERENCE227A reference value for a given contact, by default is 0=0.76872 WEIGHT227A weight value for a given contact, by default is 1=1.0 SWITCH227The 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=0.59042 NN=6 MM=10}
ATOMS228the atoms involved in each of the contacts you wish to calculate=1783,1837 REFERENCE228A reference value for a given contact, by default is 0=0.55081 WEIGHT228A weight value for a given contact, by default is 1=1.0 SWITCH228The 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=0.59042 NN=6 MM=10}
ATOMS229the atoms involved in each of the contacts you wish to calculate=1835,1896 REFERENCE229A reference value for a given contact, by default is 0=0.86871 WEIGHT229A weight value for a given contact, by default is 1=1.0 SWITCH229The 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=0.59042 NN=6 MM=10}
ATOMS230the atoms involved in each of the contacts you wish to calculate=1853,1910 REFERENCE230A reference value for a given contact, by default is 0=0.40438 WEIGHT230A weight value for a given contact, by default is 1=1.0 SWITCH230The 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=0.30021 NN=6 MM=10}
ATOMS231the atoms involved in each of the contacts you wish to calculate=1858,3399 REFERENCE231A reference value for a given contact, by default is 0=0.49603 WEIGHT231A weight value for a given contact, by default is 1=1.0 SWITCH231The 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=0.59042 NN=6 MM=10}
ATOMS232the atoms involved in each of the contacts you wish to calculate=1875,1934 REFERENCE232A reference value for a given contact, by default is 0=0.21846 WEIGHT232A weight value for a given contact, by default is 1=1.0 SWITCH232The 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=0.30021 NN=6 MM=10}
ATOMS233the atoms involved in each of the contacts you wish to calculate=2002,4237 REFERENCE233A reference value for a given contact, by default is 0=0.22398 WEIGHT233A weight value for a given contact, by default is 1=1.0 SWITCH233The 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=0.30021 NN=6 MM=10}
ATOMS234the atoms involved in each of the contacts you wish to calculate=2002,4252 REFERENCE234A reference value for a given contact, by default is 0=0.83972 WEIGHT234A weight value for a given contact, by default is 1=1.0 SWITCH234The 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=0.59042 NN=6 MM=10}
ATOMS235the atoms involved in each of the contacts you wish to calculate=2053,4237 REFERENCE235A reference value for a given contact, by default is 0=0.25459 WEIGHT235A weight value for a given contact, by default is 1=1.0 SWITCH235The 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=0.30021 NN=6 MM=10}
ATOMS236the atoms involved in each of the contacts you wish to calculate=2083,2122 REFERENCE236A reference value for a given contact, by default is 0=0.39724 WEIGHT236A weight value for a given contact, by default is 1=1.0 SWITCH236The 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=0.30021 NN=6 MM=10}
ATOMS237the atoms involved in each of the contacts you wish to calculate=2088,3164 REFERENCE237A reference value for a given contact, by default is 0=0.68907 WEIGHT237A weight value for a given contact, by default is 1=1.0 SWITCH237The 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=0.88063 NN=6 MM=10}
ATOMS238the atoms involved in each of the contacts you wish to calculate=2102,2134 REFERENCE238A reference value for a given contact, by default is 0=0.47459 WEIGHT238A weight value for a given contact, by default is 1=1.0 SWITCH238The 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=0.30021 NN=6 MM=10}
ATOMS239the atoms involved in each of the contacts you wish to calculate=2102,2182 REFERENCE239A reference value for a given contact, by default is 0=0.28620 WEIGHT239A weight value for a given contact, by default is 1=1.0 SWITCH239The 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=0.30021 NN=6 MM=10}
ATOMS240the atoms involved in each of the contacts you wish to calculate=2107,4237 REFERENCE240A reference value for a given contact, by default is 0=0.63676 WEIGHT240A weight value for a given contact, by default is 1=1.0 SWITCH240The 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=0.59042 NN=6 MM=10}
ATOMS241the atoms involved in each of the contacts you wish to calculate=2196,3164 REFERENCE241A reference value for a given contact, by default is 0=0.56560 WEIGHT241A weight value for a given contact, by default is 1=1.0 SWITCH241The 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=0.59042 NN=6 MM=10}
ATOMS242the atoms involved in each of the contacts you wish to calculate=2215,2565 REFERENCE242A reference value for a given contact, by default is 0=0.34888 WEIGHT242A weight value for a given contact, by default is 1=1.0 SWITCH242The 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=0.59042 NN=6 MM=10}
ATOMS243the atoms involved in each of the contacts you wish to calculate=2229,2560 REFERENCE243A reference value for a given contact, by default is 0=0.79381 WEIGHT243A weight value for a given contact, by default is 1=1.0 SWITCH243The 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=0.59042 NN=6 MM=10}
ATOMS244the atoms involved in each of the contacts you wish to calculate=2229,2563 REFERENCE244A reference value for a given contact, by default is 0=0.67006 WEIGHT244A weight value for a given contact, by default is 1=1.0 SWITCH244The 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=0.59042 NN=6 MM=10}
ATOMS245the atoms involved in each of the contacts you wish to calculate=2234,2611 REFERENCE245A reference value for a given contact, by default is 0=0.72908 WEIGHT245A weight value for a given contact, by default is 1=1.0 SWITCH245The 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=0.59042 NN=6 MM=10}
ATOMS246the atoms involved in each of the contacts you wish to calculate=2253,2611 REFERENCE246A reference value for a given contact, by default is 0=0.32654 WEIGHT246A weight value for a given contact, by default is 1=1.0 SWITCH246The 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=0.59042 NN=6 MM=10}
ATOMS247the atoms involved in each of the contacts you wish to calculate=2265,2333 REFERENCE247A reference value for a given contact, by default is 0=0.36825 WEIGHT247A weight value for a given contact, by default is 1=1.0 SWITCH247The 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=0.30021 NN=6 MM=10}
ATOMS248the atoms involved in each of the contacts you wish to calculate=2299,3370 REFERENCE248A reference value for a given contact, by default is 0=0.31668 WEIGHT248A weight value for a given contact, by default is 1=1.0 SWITCH248The 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=0.30021 NN=6 MM=10}
ATOMS249the atoms involved in each of the contacts you wish to calculate=2560,2592 REFERENCE249A reference value for a given contact, by default is 0=0.08094 WEIGHT249A weight value for a given contact, by default is 1=1.0 SWITCH249The 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=0.30021 NN=6 MM=10}
ATOMS250the atoms involved in each of the contacts you wish to calculate=2587,2621 REFERENCE250A reference value for a given contact, by default is 0=0.46447 WEIGHT250A weight value for a given contact, by default is 1=1.0 SWITCH250The 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=0.59042 NN=6 MM=10}
ATOMS251the atoms involved in each of the contacts you wish to calculate=2606,2643 REFERENCE251A reference value for a given contact, by default is 0=0.16890 WEIGHT251A weight value for a given contact, by default is 1=1.0 SWITCH251The 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=0.59042 NN=6 MM=10}
ATOMS252the atoms involved in each of the contacts you wish to calculate=2611,2688 REFERENCE252A reference value for a given contact, by default is 0=0.05707 WEIGHT252A weight value for a given contact, by default is 1=1.0 SWITCH252The 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=0.88063 NN=6 MM=10}
ATOMS253the atoms involved in each of the contacts you wish to calculate=2616,2662 REFERENCE253A reference value for a given contact, by default is 0=0.12529 WEIGHT253A weight value for a given contact, by default is 1=1.0 SWITCH253The 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=0.59042 NN=6 MM=10}
ATOMS254the atoms involved in each of the contacts you wish to calculate=2616,2688 REFERENCE254A reference value for a given contact, by default is 0=0.01458 WEIGHT254A weight value for a given contact, by default is 1=1.0 SWITCH254The 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=0.59042 NN=6 MM=10}
ATOMS255the atoms involved in each of the contacts you wish to calculate=2662,2688 REFERENCE255A reference value for a given contact, by default is 0=0.24885 WEIGHT255A weight value for a given contact, by default is 1=1.0 SWITCH255The 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=0.59042 NN=6 MM=10}
ATOMS256the atoms involved in each of the contacts you wish to calculate=2683,2713 REFERENCE256A reference value for a given contact, by default is 0=0.32315 WEIGHT256A weight value for a given contact, by default is 1=1.0 SWITCH256The 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=0.30021 NN=6 MM=10}
ATOMS257the atoms involved in each of the contacts you wish to calculate=2688,2837 REFERENCE257A reference value for a given contact, by default is 0=0.11912 WEIGHT257A weight value for a given contact, by default is 1=1.0 SWITCH257The 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=1.75126 NN=6 MM=10}
ATOMS258the atoms involved in each of the contacts you wish to calculate=2693,2837 REFERENCE258A reference value for a given contact, by default is 0=0.16413 WEIGHT258A weight value for a given contact, by default is 1=1.0 SWITCH258The 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=1.75126 NN=6 MM=10}
ATOMS259the atoms involved in each of the contacts you wish to calculate=2745,2781 REFERENCE259A reference value for a given contact, by default is 0=0.26299 WEIGHT259A weight value for a given contact, by default is 1=1.0 SWITCH259The 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=0.59042 NN=6 MM=10}
ATOMS260the atoms involved in each of the contacts you wish to calculate=2808,2837 REFERENCE260A reference value for a given contact, by default is 0=0.14369 WEIGHT260A weight value for a given contact, by default is 1=1.0 SWITCH260The 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=0.59042 NN=6 MM=10}
ATOMS261the atoms involved in each of the contacts you wish to calculate=2875,2894 REFERENCE261A reference value for a given contact, by default is 0=0.19736 WEIGHT261A weight value for a given contact, by default is 1=1.0 SWITCH261The 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=0.30021 NN=6 MM=10}
ATOMS262the atoms involved in each of the contacts you wish to calculate=2889,2935 REFERENCE262A reference value for a given contact, by default is 0=0.31934 WEIGHT262A weight value for a given contact, by default is 1=1.0 SWITCH262The 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=0.30021 NN=6 MM=10}
ATOMS263the atoms involved in each of the contacts you wish to calculate=2892,2959 REFERENCE263A reference value for a given contact, by default is 0=0.86923 WEIGHT263A weight value for a given contact, by default is 1=1.0 SWITCH263The 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=0.59042 NN=6 MM=10}
ATOMS264the atoms involved in each of the contacts you wish to calculate=2908,2959 REFERENCE264A reference value for a given contact, by default is 0=0.44445 WEIGHT264A weight value for a given contact, by default is 1=1.0 SWITCH264The 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=0.30021 NN=6 MM=10}
ATOMS265the atoms involved in each of the contacts you wish to calculate=2908,2971 REFERENCE265A reference value for a given contact, by default is 0=0.29201 WEIGHT265A weight value for a given contact, by default is 1=1.0 SWITCH265The 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=0.30021 NN=6 MM=10}
ATOMS266the atoms involved in each of the contacts you wish to calculate=2976,3198 REFERENCE266A reference value for a given contact, by default is 0=0.29655 WEIGHT266A weight value for a given contact, by default is 1=1.0 SWITCH266The 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=0.30021 NN=6 MM=10}
ATOMS267the atoms involved in each of the contacts you wish to calculate=2984,3031 REFERENCE267A reference value for a given contact, by default is 0=0.80103 WEIGHT267A weight value for a given contact, by default is 1=1.0 SWITCH267The 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=0.59042 NN=6 MM=10}
ATOMS268the atoms involved in each of the contacts you wish to calculate=3000,3031 REFERENCE268A reference value for a given contact, by default is 0=0.27530 WEIGHT268A weight value for a given contact, by default is 1=1.0 SWITCH268The 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=0.30021 NN=6 MM=10}
ATOMS269the atoms involved in each of the contacts you wish to calculate=3018,3124 REFERENCE269A reference value for a given contact, by default is 0=0.54436 WEIGHT269A weight value for a given contact, by default is 1=1.0 SWITCH269The 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=0.30021 NN=6 MM=10}
ATOMS270the atoms involved in each of the contacts you wish to calculate=3193,4149 REFERENCE270A reference value for a given contact, by default is 0=0.70597 WEIGHT270A weight value for a given contact, by default is 1=1.0 SWITCH270The 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=0.59042 NN=6 MM=10}
ATOMS271the atoms involved in each of the contacts you wish to calculate=3291,4018 REFERENCE271A reference value for a given contact, by default is 0=0.82069 WEIGHT271A weight value for a given contact, by default is 1=1.0 SWITCH271The 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=0.59042 NN=6 MM=10}
ATOMS272the atoms involved in each of the contacts you wish to calculate=3404,3833 REFERENCE272A reference value for a given contact, by default is 0=0.38453 WEIGHT272A weight value for a given contact, by default is 1=1.0 SWITCH272The 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=0.30021 NN=6 MM=10}
ATOMS273the atoms involved in each of the contacts you wish to calculate=3473,3525 REFERENCE273A reference value for a given contact, by default is 0=0.66722 WEIGHT273A weight value for a given contact, by default is 1=1.0 SWITCH273The 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=0.59042 NN=6 MM=10}
ATOMS274the atoms involved in each of the contacts you wish to calculate=3577,3603 REFERENCE274A reference value for a given contact, by default is 0=0.28691 WEIGHT274A weight value for a given contact, by default is 1=1.0 SWITCH274The 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=0.30021 NN=6 MM=10}
ATOMS275the atoms involved in each of the contacts you wish to calculate=3643,3697 REFERENCE275A reference value for a given contact, by default is 0=0.19785 WEIGHT275A weight value for a given contact, by default is 1=1.0 SWITCH275The 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=0.30021 NN=6 MM=10}
ATOMS276the atoms involved in each of the contacts you wish to calculate=3654,3712 REFERENCE276A reference value for a given contact, by default is 0=0.14279 WEIGHT276A weight value for a given contact, by default is 1=1.0 SWITCH276The 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=0.30021 NN=6 MM=10}
ATOMS277the atoms involved in each of the contacts you wish to calculate=3659,3741 REFERENCE277A reference value for a given contact, by default is 0=0.76807 WEIGHT277A weight value for a given contact, by default is 1=1.0 SWITCH277The 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=0.59042 NN=6 MM=10}
ATOMS278the atoms involved in each of the contacts you wish to calculate=3659,3751 REFERENCE278A reference value for a given contact, by default is 0=0.67881 WEIGHT278A weight value for a given contact, by default is 1=1.0 SWITCH278The 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=0.59042 NN=6 MM=10}
ATOMS279the atoms involved in each of the contacts you wish to calculate=3676,3751 REFERENCE279A reference value for a given contact, by default is 0=0.30158 WEIGHT279A weight value for a given contact, by default is 1=1.0 SWITCH279The 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=0.30021 NN=6 MM=10}
ATOMS280the atoms involved in each of the contacts you wish to calculate=3900,3949 REFERENCE280A reference value for a given contact, by default is 0=0.20911 WEIGHT280A weight value for a given contact, by default is 1=1.0 SWITCH280The 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=0.30021 NN=6 MM=10}
ATOMS281the atoms involved in each of the contacts you wish to calculate=3968,4023 REFERENCE281A reference value for a given contact, by default is 0=0.81921 WEIGHT281A weight value for a given contact, by default is 1=1.0 SWITCH281The 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=0.59042 NN=6 MM=10}
ATOMS282the atoms involved in each of the contacts you wish to calculate=4056,4096 REFERENCE282A reference value for a given contact, by default is 0=0.36896 WEIGHT282A weight value for a given contact, by default is 1=1.0 SWITCH282The 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=0.30021 NN=6 MM=10}
ATOMS283the atoms involved in each of the contacts you wish to calculate=4096,4166 REFERENCE283A reference value for a given contact, by default is 0=0.34588 WEIGHT283A weight value for a given contact, by default is 1=1.0 SWITCH283The 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=0.30021 NN=6 MM=10}
ATOMS284the atoms involved in each of the contacts you wish to calculate=4139,4166 REFERENCE284A reference value for a given contact, by default is 0=0.39980 WEIGHT284A weight value for a given contact, by default is 1=1.0 SWITCH284The 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=0.30021 NN=6 MM=10}
ATOMS285the atoms involved in each of the contacts you wish to calculate=2768,863 REFERENCE285A reference value for a given contact, by default is 0=0.02232 WEIGHT285A weight value for a given contact, by default is 1=1.0 SWITCH285The 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=0.88063 NN=6 MM=10}
ATOMS286the atoms involved in each of the contacts you wish to calculate=2769,866 REFERENCE286A reference value for a given contact, by default is 0=0.03230 WEIGHT286A weight value for a given contact, by default is 1=1.0 SWITCH286The 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=0.88063 NN=6 MM=10}
ATOMS287the atoms involved in each of the contacts you wish to calculate=2771,860 REFERENCE287A reference value for a given contact, by default is 0=0.03332 WEIGHT287A weight value for a given contact, by default is 1=1.0 SWITCH287The 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=0.88063 NN=6 MM=10}
ATOMS288the atoms involved in each of the contacts you wish to calculate=2771,857 REFERENCE288A reference value for a given contact, by default is 0=0.03910 WEIGHT288A weight value for a given contact, by default is 1=1.0 SWITCH288The 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=0.88063 NN=6 MM=10}
ATOMS289the atoms involved in each of the contacts you wish to calculate=2774,846 REFERENCE289A reference value for a given contact, by default is 0=0.03272 WEIGHT289A weight value for a given contact, by default is 1=1.0 SWITCH289The 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=0.88063 NN=6 MM=10}
ATOMS290the atoms involved in each of the contacts you wish to calculate=2774,850 REFERENCE290A reference value for a given contact, by default is 0=0.04878 WEIGHT290A weight value for a given contact, by default is 1=1.0 SWITCH290The 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=0.88063 NN=6 MM=10}
ATOMS291the atoms involved in each of the contacts you wish to calculate=2774,840 REFERENCE291A reference value for a given contact, by default is 0=0.08566 WEIGHT291A weight value for a given contact, by default is 1=1.0 SWITCH291The 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=1.17084 NN=6 MM=10}
ATOMS292the atoms involved in each of the contacts you wish to calculate=2774,833 REFERENCE292A reference value for a given contact, by default is 0=0.02547 WEIGHT292A weight value for a given contact, by default is 1=1.0 SWITCH292The 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=0.88063 NN=6 MM=10}
ATOMS293the atoms involved in each of the contacts you wish to calculate=2776,860 REFERENCE293A reference value for a given contact, by default is 0=0.03192 WEIGHT293A weight value for a given contact, by default is 1=1.0 SWITCH293The 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=0.88063 NN=6 MM=10}
ATOMS294the atoms involved in each of the contacts you wish to calculate=1016,889 REFERENCE294A reference value for a given contact, by default is 0=0.02327 WEIGHT294A weight value for a given contact, by default is 1=3.0 SWITCH294The 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=0.59042 NN=6 MM=10}
ATOMS295the atoms involved in each of the contacts you wish to calculate=2633,1016 REFERENCE295A reference value for a given contact, by default is 0=0.20395 WEIGHT295A weight value for a given contact, by default is 1=3.0 SWITCH295The 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=0.59042 NN=6 MM=10}
ATOMS296the atoms involved in each of the contacts you wish to calculate=2704,2245 REFERENCE296A reference value for a given contact, by default is 0=0.02828 WEIGHT296A weight value for a given contact, by default is 1=3.0 SWITCH296The 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=0.88063 NN=6 MM=10}
ATOMS297the atoms involved in each of the contacts you wish to calculate=2719,889 REFERENCE297A reference value for a given contact, by default is 0=0.06515 WEIGHT297A weight value for a given contact, by default is 1=3.0 SWITCH297The 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=1.17084 NN=6 MM=10}
ATOMS298the atoms involved in each of the contacts you wish to calculate=2719,2633 REFERENCE298A reference value for a given contact, by default is 0=0.39245 WEIGHT298A weight value for a given contact, by default is 1=3.0 SWITCH298The 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=1.17084 NN=6 MM=10}
ATOMS299the atoms involved in each of the contacts you wish to calculate=3097,2704 REFERENCE299A reference value for a given contact, by default is 0=0.10232 WEIGHT299A weight value for a given contact, by default is 1=3.0 SWITCH299The 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=1.46105 NN=6 MM=10}
ATOMS300the atoms involved in each of the contacts you wish to calculate=819,254 REFERENCE300A reference value for a given contact, by default is 0=0.59625 WEIGHT300A weight value for a given contact, by default is 1=3.0 SWITCH300The 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=1.46105 NN=6 MM=10}
ATOMS301the atoms involved in each of the contacts you wish to calculate=951,889 REFERENCE301A reference value for a given contact, by default is 0=0.22280 WEIGHT301A weight value for a given contact, by default is 1=3.0 SWITCH301The 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=0.59042 NN=6 MM=10}
ATOMS302the atoms involved in each of the contacts you wish to calculate=951,800 REFERENCE302A reference value for a given contact, by default is 0=0.79142 WEIGHT302A weight value for a given contact, by default is 1=3.0 SWITCH302The 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=1.46105 NN=6 MM=10}
ATOMS303the atoms involved in each of the contacts you wish to calculate=1001,935 REFERENCE303A reference value for a given contact, by default is 0=0.28462 WEIGHT303A weight value for a given contact, by default is 1=3.0 SWITCH303The 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=0.30021 NN=6 MM=10}
ATOMS304the atoms involved in each of the contacts you wish to calculate=2740,2113 REFERENCE304A reference value for a given contact, by default is 0=0.72702 WEIGHT304A weight value for a given contact, by default is 1=3.0 SWITCH304The 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=1.46105 NN=6 MM=10}
ATOMS305the atoms involved in each of the contacts you wish to calculate=1129,1256 REFERENCE305A reference value for a given contact, by default is 0=0.61925 WEIGHT305A weight value for a given contact, by default is 1=3.0 SWITCH305The 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=0.59042 NN=6 MM=10}
ATOMS306the atoms involved in each of the contacts you wish to calculate=1133,1162 REFERENCE306A reference value for a given contact, by default is 0=0.98667 WEIGHT306A weight value for a given contact, by default is 1=1.0 SWITCH306The 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=0.59042 NN=6 MM=10}
LABELa label for the action so that its output can be referenced in the input to other actions=cmap_activeThe CONTACTMAP action with label cmap_active calculates the following quantities:
 Quantity   
 Type   
 Description  
cmap_active
scalar
the sum of all the switching function on all the distances
CMDIST calculate the distance with respect to the provided reference contact map
... CONTACTMAP
# --- End of included input --- 
# Distance form inactive cmap
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=cmap_inactive.dat
# The command:
# INCLUDE FILE=cmap_inactive.dat
# ensures PLUMED loads the contents of the file called cmap_inactive.dat
# The contents of this file are shown below (click the red comment to hide them).
The INCLUDE action with label cmap_inactive.dat calculates somethingCONTACTMAPCalculate 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=198,499 REFERENCE1A reference value for a given contact, by default is 0=0.19477 WEIGHT1A weight value for a given contact, by default is 1=1.0 SWITCH1The 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=0.30021 NN=6 MM=10}
ATOMS2the atoms involved in each of the contacts you wish to calculate=200,501 REFERENCE2A reference value for a given contact, by default is 0=0.82187 WEIGHT2A weight value for a given contact, by default is 1=1.0 SWITCH2The 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=0.59042 NN=6 MM=10}
ATOMS3the atoms involved in each of the contacts you wish to calculate=240,470 REFERENCE3A reference value for a given contact, by default is 0=0.29332 WEIGHT3A weight value for a given contact, by default is 1=1.0 SWITCH3The 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=0.30021 NN=6 MM=10}
ATOMS4the atoms involved in each of the contacts you wish to calculate=300,321 REFERENCE4A reference value for a given contact, by default is 0=0.68202 WEIGHT4A weight value for a given contact, by default is 1=1.0 SWITCH4The 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=0.59042 NN=6 MM=10}
ATOMS5the atoms involved in each of the contacts you wish to calculate=303,430 REFERENCE5A reference value for a given contact, by default is 0=0.23475 WEIGHT5A weight value for a given contact, by default is 1=1.0 SWITCH5The 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=0.30021 NN=6 MM=10}
ATOMS6the atoms involved in each of the contacts you wish to calculate=321,453 REFERENCE6A reference value for a given contact, by default is 0=0.65706 WEIGHT6A weight value for a given contact, by default is 1=1.0 SWITCH6The 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=0.59042 NN=6 MM=10}
ATOMS7the atoms involved in each of the contacts you wish to calculate=335,1572 REFERENCE7A reference value for a given contact, by default is 0=0.46176 WEIGHT7A weight value for a given contact, by default is 1=1.0 SWITCH7The 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=0.88063 NN=6 MM=10}
ATOMS8the atoms involved in each of the contacts you wish to calculate=342,360 REFERENCE8A reference value for a given contact, by default is 0=0.53931 WEIGHT8A weight value for a given contact, by default is 1=1.0 SWITCH8The 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=0.59042 NN=6 MM=10}
ATOMS9the atoms involved in each of the contacts you wish to calculate=390,402 REFERENCE9A reference value for a given contact, by default is 0=0.32354 WEIGHT9A weight value for a given contact, by default is 1=1.0 SWITCH9The 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=0.59042 NN=6 MM=10}
ATOMS10the atoms involved in each of the contacts you wish to calculate=501,688 REFERENCE10A reference value for a given contact, by default is 0=0.88091 WEIGHT10A weight value for a given contact, by default is 1=1.0 SWITCH10The 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=0.59042 NN=6 MM=10}
ATOMS11the atoms involved in each of the contacts you wish to calculate=520,628 REFERENCE11A reference value for a given contact, by default is 0=0.25793 WEIGHT11A weight value for a given contact, by default is 1=1.0 SWITCH11The 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=0.30021 NN=6 MM=10}
ATOMS12the atoms involved in each of the contacts you wish to calculate=520,631 REFERENCE12A reference value for a given contact, by default is 0=0.36305 WEIGHT12A weight value for a given contact, by default is 1=1.0 SWITCH12The 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=0.30021 NN=6 MM=10}
ATOMS13the atoms involved in each of the contacts you wish to calculate=523,628 REFERENCE13A reference value for a given contact, by default is 0=0.34964 WEIGHT13A weight value for a given contact, by default is 1=1.0 SWITCH13The 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=0.30021 NN=6 MM=10}
ATOMS14the atoms involved in each of the contacts you wish to calculate=523,631 REFERENCE14A reference value for a given contact, by default is 0=0.76648 WEIGHT14A weight value for a given contact, by default is 1=1.0 SWITCH14The 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=0.59042 NN=6 MM=10}
ATOMS15the atoms involved in each of the contacts you wish to calculate=553,580 REFERENCE15A reference value for a given contact, by default is 0=0.29621 WEIGHT15A weight value for a given contact, by default is 1=1.0 SWITCH15The 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=0.30021 NN=6 MM=10}
ATOMS16the atoms involved in each of the contacts you wish to calculate=669,688 REFERENCE16A reference value for a given contact, by default is 0=0.38112 WEIGHT16A weight value for a given contact, by default is 1=1.0 SWITCH16The 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=0.30021 NN=6 MM=10}
ATOMS17the atoms involved in each of the contacts you wish to calculate=686,1482 REFERENCE17A reference value for a given contact, by default is 0=0.25898 WEIGHT17A weight value for a given contact, by default is 1=1.0 SWITCH17The 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=0.30021 NN=6 MM=10}
ATOMS18the atoms involved in each of the contacts you wish to calculate=704,1482 REFERENCE18A reference value for a given contact, by default is 0=0.40398 WEIGHT18A weight value for a given contact, by default is 1=1.0 SWITCH18The 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=0.30021 NN=6 MM=10}
ATOMS19the atoms involved in each of the contacts you wish to calculate=765,789 REFERENCE19A reference value for a given contact, by default is 0=0.64805 WEIGHT19A weight value for a given contact, by default is 1=1.0 SWITCH19The 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=0.59042 NN=6 MM=10}
ATOMS20the atoms involved in each of the contacts you wish to calculate=765,960 REFERENCE20A reference value for a given contact, by default is 0=0.19012 WEIGHT20A weight value for a given contact, by default is 1=1.0 SWITCH20The 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=0.88063 NN=6 MM=10}
ATOMS21the atoms involved in each of the contacts you wish to calculate=789,833 REFERENCE21A reference value for a given contact, by default is 0=0.38085 WEIGHT21A weight value for a given contact, by default is 1=1.0 SWITCH21The 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=0.59042 NN=6 MM=10}
ATOMS22the atoms involved in each of the contacts you wish to calculate=808,828 REFERENCE22A reference value for a given contact, by default is 0=0.60057 WEIGHT22A weight value for a given contact, by default is 1=1.0 SWITCH22The 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=0.59042 NN=6 MM=10}
ATOMS23the atoms involved in each of the contacts you wish to calculate=823,1388 REFERENCE23A reference value for a given contact, by default is 0=0.37469 WEIGHT23A weight value for a given contact, by default is 1=1.0 SWITCH23The 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=0.59042 NN=6 MM=10}
ATOMS24the atoms involved in each of the contacts you wish to calculate=828,899 REFERENCE24A reference value for a given contact, by default is 0=0.22317 WEIGHT24A weight value for a given contact, by default is 1=1.0 SWITCH24The 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=0.88063 NN=6 MM=10}
ATOMS25the atoms involved in each of the contacts you wish to calculate=833,899 REFERENCE25A reference value for a given contact, by default is 0=0.27322 WEIGHT25A weight value for a given contact, by default is 1=1.0 SWITCH25The 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=0.88063 NN=6 MM=10}
ATOMS26the atoms involved in each of the contacts you wish to calculate=836,909 REFERENCE26A reference value for a given contact, by default is 0=0.21442 WEIGHT26A weight value for a given contact, by default is 1=1.0 SWITCH26The 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=0.88063 NN=6 MM=10}
ATOMS27the atoms involved in each of the contacts you wish to calculate=847,909 REFERENCE27A reference value for a given contact, by default is 0=0.46358 WEIGHT27A weight value for a given contact, by default is 1=1.0 SWITCH27The 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=1.17084 NN=6 MM=10}
ATOMS28the atoms involved in each of the contacts you wish to calculate=858,899 REFERENCE28A reference value for a given contact, by default is 0=0.26031 WEIGHT28A weight value for a given contact, by default is 1=1.0 SWITCH28The 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=0.59042 NN=6 MM=10}
ATOMS29the atoms involved in each of the contacts you wish to calculate=858,909 REFERENCE29A reference value for a given contact, by default is 0=0.14565 WEIGHT29A weight value for a given contact, by default is 1=1.0 SWITCH29The 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=0.59042 NN=6 MM=10}
ATOMS30the atoms involved in each of the contacts you wish to calculate=872,923 REFERENCE30A reference value for a given contact, by default is 0=0.10178 WEIGHT30A weight value for a given contact, by default is 1=1.0 SWITCH30The 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=0.59042 NN=6 MM=10}
ATOMS31the atoms involved in each of the contacts you wish to calculate=894,923 REFERENCE31A reference value for a given contact, by default is 0=0.27506 WEIGHT31A weight value for a given contact, by default is 1=1.0 SWITCH31The 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=0.59042 NN=6 MM=10}
ATOMS32the atoms involved in each of the contacts you wish to calculate=955,998 REFERENCE32A reference value for a given contact, by default is 0=0.42979 WEIGHT32A weight value for a given contact, by default is 1=1.0 SWITCH32The 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=0.30021 NN=6 MM=10}
ATOMS33the atoms involved in each of the contacts you wish to calculate=955,2583 REFERENCE33A reference value for a given contact, by default is 0=0.10079 WEIGHT33A weight value for a given contact, by default is 1=1.0 SWITCH33The 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=0.59042 NN=6 MM=10}
ATOMS34the atoms involved in each of the contacts you wish to calculate=977,1025 REFERENCE34A reference value for a given contact, by default is 0=0.24531 WEIGHT34A weight value for a given contact, by default is 1=1.0 SWITCH34The 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=0.30021 NN=6 MM=10}
ATOMS35the atoms involved in each of the contacts you wish to calculate=993,1035 REFERENCE35A reference value for a given contact, by default is 0=0.30893 WEIGHT35A weight value for a given contact, by default is 1=1.0 SWITCH35The 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=0.30021 NN=6 MM=10}
ATOMS36the atoms involved in each of the contacts you wish to calculate=998,2587 REFERENCE36A reference value for a given contact, by default is 0=0.28835 WEIGHT36A weight value for a given contact, by default is 1=1.0 SWITCH36The 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=0.88063 NN=6 MM=10}
ATOMS37the atoms involved in each of the contacts you wish to calculate=1005,2580 REFERENCE37A reference value for a given contact, by default is 0=0.09148 WEIGHT37A weight value for a given contact, by default is 1=1.0 SWITCH37The 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=0.59042 NN=6 MM=10}
ATOMS38the atoms involved in each of the contacts you wish to calculate=1005,2587 REFERENCE38A reference value for a given contact, by default is 0=0.46956 WEIGHT38A weight value for a given contact, by default is 1=1.0 SWITCH38The 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=0.88063 NN=6 MM=10}
ATOMS39the atoms involved in each of the contacts you wish to calculate=1010,2583 REFERENCE39A reference value for a given contact, by default is 0=0.46876 WEIGHT39A weight value for a given contact, by default is 1=1.0 SWITCH39The 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=0.59042 NN=6 MM=10}
ATOMS40the atoms involved in each of the contacts you wish to calculate=1020,1056 REFERENCE40A reference value for a given contact, by default is 0=0.33358 WEIGHT40A weight value for a given contact, by default is 1=1.0 SWITCH40The 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=0.30021 NN=6 MM=10}
ATOMS41the atoms involved in each of the contacts you wish to calculate=1020,1072 REFERENCE41A reference value for a given contact, by default is 0=0.30196 WEIGHT41A weight value for a given contact, by default is 1=1.0 SWITCH41The 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=0.30021 NN=6 MM=10}
ATOMS42the atoms involved in each of the contacts you wish to calculate=1020,2565 REFERENCE42A reference value for a given contact, by default is 0=0.19117 WEIGHT42A weight value for a given contact, by default is 1=1.0 SWITCH42The 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=0.59042 NN=6 MM=10}
ATOMS43the atoms involved in each of the contacts you wish to calculate=1056,2580 REFERENCE43A reference value for a given contact, by default is 0=0.25607 WEIGHT43A weight value for a given contact, by default is 1=1.0 SWITCH43The 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=0.59042 NN=6 MM=10}
ATOMS44the atoms involved in each of the contacts you wish to calculate=1084,1121 REFERENCE44A reference value for a given contact, by default is 0=0.83874 WEIGHT44A weight value for a given contact, by default is 1=1.0 SWITCH44The 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=0.59042 NN=6 MM=10}
ATOMS45the atoms involved in each of the contacts you wish to calculate=1084,1269 REFERENCE45A reference value for a given contact, by default is 0=0.34164 WEIGHT45A weight value for a given contact, by default is 1=1.0 SWITCH45The 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=0.30021 NN=6 MM=10}
ATOMS46the atoms involved in each of the contacts you wish to calculate=1087,1269 REFERENCE46A reference value for a given contact, by default is 0=0.24262 WEIGHT46A weight value for a given contact, by default is 1=1.0 SWITCH46The 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=0.30021 NN=6 MM=10}
ATOMS47the atoms involved in each of the contacts you wish to calculate=1094,1121 REFERENCE47A reference value for a given contact, by default is 0=0.38540 WEIGHT47A weight value for a given contact, by default is 1=1.0 SWITCH47The 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=0.30021 NN=6 MM=10}
ATOMS48the atoms involved in each of the contacts you wish to calculate=1201,1961 REFERENCE48A reference value for a given contact, by default is 0=0.57081 WEIGHT48A weight value for a given contact, by default is 1=1.0 SWITCH48The 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=0.59042 NN=6 MM=10}
ATOMS49the atoms involved in each of the contacts you wish to calculate=1201,2027 REFERENCE49A reference value for a given contact, by default is 0=0.34419 WEIGHT49A weight value for a given contact, by default is 1=1.0 SWITCH49The 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=0.30021 NN=6 MM=10}
ATOMS50the atoms involved in each of the contacts you wish to calculate=1201,2493 REFERENCE50A reference value for a given contact, by default is 0=0.73504 WEIGHT50A weight value for a given contact, by default is 1=1.0 SWITCH50The 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=0.59042 NN=6 MM=10}
ATOMS51the atoms involved in each of the contacts you wish to calculate=1213,1973 REFERENCE51A reference value for a given contact, by default is 0=0.72698 WEIGHT51A weight value for a given contact, by default is 1=1.0 SWITCH51The 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=0.59042 NN=6 MM=10}
ATOMS52the atoms involved in each of the contacts you wish to calculate=1213,2027 REFERENCE52A reference value for a given contact, by default is 0=0.20111 WEIGHT52A weight value for a given contact, by default is 1=1.0 SWITCH52The 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=0.30021 NN=6 MM=10}
ATOMS53the atoms involved in each of the contacts you wish to calculate=1234,2534 REFERENCE53A reference value for a given contact, by default is 0=0.36844 WEIGHT53A weight value for a given contact, by default is 1=1.0 SWITCH53The 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=0.30021 NN=6 MM=10}
ATOMS54the atoms involved in each of the contacts you wish to calculate=1234,2539 REFERENCE54A reference value for a given contact, by default is 0=0.85596 WEIGHT54A weight value for a given contact, by default is 1=1.0 SWITCH54The 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=0.59042 NN=6 MM=10}
ATOMS55the atoms involved in each of the contacts you wish to calculate=1240,2534 REFERENCE55A reference value for a given contact, by default is 0=0.81237 WEIGHT55A weight value for a given contact, by default is 1=1.0 SWITCH55The 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=0.59042 NN=6 MM=10}
ATOMS56the atoms involved in each of the contacts you wish to calculate=1240,2537 REFERENCE56A reference value for a given contact, by default is 0=0.60304 WEIGHT56A weight value for a given contact, by default is 1=1.0 SWITCH56The 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=0.59042 NN=6 MM=10}
ATOMS57the atoms involved in each of the contacts you wish to calculate=1264,1473 REFERENCE57A reference value for a given contact, by default is 0=0.90591 WEIGHT57A weight value for a given contact, by default is 1=1.0 SWITCH57The 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=0.59042 NN=6 MM=10}
ATOMS58the atoms involved in each of the contacts you wish to calculate=1312,1433 REFERENCE58A reference value for a given contact, by default is 0=0.78160 WEIGHT58A weight value for a given contact, by default is 1=1.0 SWITCH58The 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=0.59042 NN=6 MM=10}
ATOMS59the atoms involved in each of the contacts you wish to calculate=1361,1397 REFERENCE59A reference value for a given contact, by default is 0=0.36089 WEIGHT59A weight value for a given contact, by default is 1=1.0 SWITCH59The 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=0.30021 NN=6 MM=10}
ATOMS60the atoms involved in each of the contacts you wish to calculate=1372,1400 REFERENCE60A reference value for a given contact, by default is 0=0.60498 WEIGHT60A weight value for a given contact, by default is 1=1.0 SWITCH60The 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=0.59042 NN=6 MM=10}
ATOMS61the atoms involved in each of the contacts you wish to calculate=1521,2396 REFERENCE61A reference value for a given contact, by default is 0=0.56552 WEIGHT61A weight value for a given contact, by default is 1=1.0 SWITCH61The 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=0.59042 NN=6 MM=10}
ATOMS62the atoms involved in each of the contacts you wish to calculate=1523,1576 REFERENCE62A reference value for a given contact, by default is 0=0.19671 WEIGHT62A weight value for a given contact, by default is 1=1.0 SWITCH62The 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=0.30021 NN=6 MM=10}
ATOMS63the atoms involved in each of the contacts you wish to calculate=1523,2363 REFERENCE63A reference value for a given contact, by default is 0=0.23925 WEIGHT63A weight value for a given contact, by default is 1=1.0 SWITCH63The 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=0.30021 NN=6 MM=10}
ATOMS64the atoms involved in each of the contacts you wish to calculate=1535,1576 REFERENCE64A reference value for a given contact, by default is 0=0.16528 WEIGHT64A weight value for a given contact, by default is 1=1.0 SWITCH64The 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=0.30021 NN=6 MM=10}
ATOMS65the atoms involved in each of the contacts you wish to calculate=1569,1587 REFERENCE65A reference value for a given contact, by default is 0=0.59177 WEIGHT65A weight value for a given contact, by default is 1=1.0 SWITCH65The 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=0.59042 NN=6 MM=10}
ATOMS66the atoms involved in each of the contacts you wish to calculate=1569,1642 REFERENCE66A reference value for a given contact, by default is 0=0.39379 WEIGHT66A weight value for a given contact, by default is 1=1.0 SWITCH66The 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=0.59042 NN=6 MM=10}
ATOMS67the atoms involved in each of the contacts you wish to calculate=1611,2309 REFERENCE67A reference value for a given contact, by default is 0=0.81477 WEIGHT67A weight value for a given contact, by default is 1=1.0 SWITCH67The 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=0.59042 NN=6 MM=10}
ATOMS68the atoms involved in each of the contacts you wish to calculate=1674,1735 REFERENCE68A reference value for a given contact, by default is 0=0.14655 WEIGHT68A weight value for a given contact, by default is 1=1.0 SWITCH68The 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=0.30021 NN=6 MM=10}
ATOMS69the atoms involved in each of the contacts you wish to calculate=1752,1783 REFERENCE69A reference value for a given contact, by default is 0=0.39069 WEIGHT69A weight value for a given contact, by default is 1=1.0 SWITCH69The 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=0.59042 NN=6 MM=10}
ATOMS70the atoms involved in each of the contacts you wish to calculate=1804,1858 REFERENCE70A reference value for a given contact, by default is 0=0.82473 WEIGHT70A weight value for a given contact, by default is 1=1.0 SWITCH70The 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=0.59042 NN=6 MM=10}
ATOMS71the atoms involved in each of the contacts you wish to calculate=1807,1858 REFERENCE71A reference value for a given contact, by default is 0=0.84407 WEIGHT71A weight value for a given contact, by default is 1=1.0 SWITCH71The 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=0.59042 NN=6 MM=10}
ATOMS72the atoms involved in each of the contacts you wish to calculate=2051,4237 REFERENCE72A reference value for a given contact, by default is 0=0.32885 WEIGHT72A weight value for a given contact, by default is 1=1.0 SWITCH72The 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=0.30021 NN=6 MM=10}
ATOMS73the atoms involved in each of the contacts you wish to calculate=2086,2182 REFERENCE73A reference value for a given contact, by default is 0=0.89453 WEIGHT73A weight value for a given contact, by default is 1=1.0 SWITCH73The 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=0.59042 NN=6 MM=10}
ATOMS74the atoms involved in each of the contacts you wish to calculate=2105,2196 REFERENCE74A reference value for a given contact, by default is 0=0.22979 WEIGHT74A weight value for a given contact, by default is 1=1.0 SWITCH74The 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=0.30021 NN=6 MM=10}
ATOMS75the atoms involved in each of the contacts you wish to calculate=2105,3164 REFERENCE75A reference value for a given contact, by default is 0=0.72287 WEIGHT75A weight value for a given contact, by default is 1=1.0 SWITCH75The 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=0.59042 NN=6 MM=10}
ATOMS76the atoms involved in each of the contacts you wish to calculate=2177,2638 REFERENCE76A reference value for a given contact, by default is 0=0.17509 WEIGHT76A weight value for a given contact, by default is 1=1.0 SWITCH76The 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=0.88063 NN=6 MM=10}
ATOMS77the atoms involved in each of the contacts you wish to calculate=2177,2641 REFERENCE77A reference value for a given contact, by default is 0=0.02620 WEIGHT77A weight value for a given contact, by default is 1=1.0 SWITCH77The 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=0.59042 NN=6 MM=10}
ATOMS78the atoms involved in each of the contacts you wish to calculate=2177,2662 REFERENCE78A reference value for a given contact, by default is 0=0.01382 WEIGHT78A weight value for a given contact, by default is 1=1.0 SWITCH78The 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=0.59042 NN=6 MM=10}
ATOMS79the atoms involved in each of the contacts you wish to calculate=2177,2676 REFERENCE79A reference value for a given contact, by default is 0=0.01187 WEIGHT79A weight value for a given contact, by default is 1=1.0 SWITCH79The 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=0.59042 NN=6 MM=10}
ATOMS80the atoms involved in each of the contacts you wish to calculate=2180,2638 REFERENCE80A reference value for a given contact, by default is 0=0.04643 WEIGHT80A weight value for a given contact, by default is 1=1.0 SWITCH80The 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=0.59042 NN=6 MM=10}
ATOMS81the atoms involved in each of the contacts you wish to calculate=2180,2641 REFERENCE81A reference value for a given contact, by default is 0=0.03525 WEIGHT81A weight value for a given contact, by default is 1=1.0 SWITCH81The 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=0.59042 NN=6 MM=10}
ATOMS82the atoms involved in each of the contacts you wish to calculate=2212,2606 REFERENCE82A reference value for a given contact, by default is 0=0.15784 WEIGHT82A weight value for a given contact, by default is 1=1.0 SWITCH82The 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=0.59042 NN=6 MM=10}
ATOMS83the atoms involved in each of the contacts you wish to calculate=2212,2609 REFERENCE83A reference value for a given contact, by default is 0=0.28476 WEIGHT83A weight value for a given contact, by default is 1=1.0 SWITCH83The 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=0.59042 NN=6 MM=10}
ATOMS84the atoms involved in each of the contacts you wish to calculate=2212,2638 REFERENCE84A reference value for a given contact, by default is 0=0.14530 WEIGHT84A weight value for a given contact, by default is 1=1.0 SWITCH84The 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=0.59042 NN=6 MM=10}
ATOMS85the atoms involved in each of the contacts you wish to calculate=2215,2611 REFERENCE85A reference value for a given contact, by default is 0=0.48809 WEIGHT85A weight value for a given contact, by default is 1=1.0 SWITCH85The 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=0.59042 NN=6 MM=10}
ATOMS86the atoms involved in each of the contacts you wish to calculate=2217,2270 REFERENCE86A reference value for a given contact, by default is 0=0.70609 WEIGHT86A weight value for a given contact, by default is 1=1.0 SWITCH86The 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=0.59042 NN=6 MM=10}
ATOMS87the atoms involved in each of the contacts you wish to calculate=2229,2258 REFERENCE87A reference value for a given contact, by default is 0=0.79690 WEIGHT87A weight value for a given contact, by default is 1=1.0 SWITCH87The 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=0.59042 NN=6 MM=10}
ATOMS88the atoms involved in each of the contacts you wish to calculate=2229,2592 REFERENCE88A reference value for a given contact, by default is 0=0.43039 WEIGHT88A weight value for a given contact, by default is 1=1.0 SWITCH88The 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=0.59042 NN=6 MM=10}
ATOMS89the atoms involved in each of the contacts you wish to calculate=2229,2609 REFERENCE89A reference value for a given contact, by default is 0=0.11438 WEIGHT89A weight value for a given contact, by default is 1=1.0 SWITCH89The 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=0.30021 NN=6 MM=10}
ATOMS90the atoms involved in each of the contacts you wish to calculate=2234,2606 REFERENCE90A reference value for a given contact, by default is 0=0.26552 WEIGHT90A weight value for a given contact, by default is 1=1.0 SWITCH90The 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=0.59042 NN=6 MM=10}
ATOMS91the atoms involved in each of the contacts you wish to calculate=2258,2592 REFERENCE91A reference value for a given contact, by default is 0=0.49215 WEIGHT91A weight value for a given contact, by default is 1=1.0 SWITCH91The 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=0.59042 NN=6 MM=10}
ATOMS92the atoms involved in each of the contacts you wish to calculate=2284,2954 REFERENCE92A reference value for a given contact, by default is 0=0.69115 WEIGHT92A weight value for a given contact, by default is 1=1.0 SWITCH92The 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=0.59042 NN=6 MM=10}
ATOMS93the atoms involved in each of the contacts you wish to calculate=2345,2518 REFERENCE93A reference value for a given contact, by default is 0=0.86906 WEIGHT93A weight value for a given contact, by default is 1=1.0 SWITCH93The 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=0.59042 NN=6 MM=10}
ATOMS94the atoms involved in each of the contacts you wish to calculate=2398,2465 REFERENCE94A reference value for a given contact, by default is 0=0.51553 WEIGHT94A weight value for a given contact, by default is 1=1.0 SWITCH94The 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=0.59042 NN=6 MM=10}
ATOMS95the atoms involved in each of the contacts you wish to calculate=2515,2539 REFERENCE95A reference value for a given contact, by default is 0=0.78265 WEIGHT95A weight value for a given contact, by default is 1=1.0 SWITCH95The 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=0.59042 NN=6 MM=10}
ATOMS96the atoms involved in each of the contacts you wish to calculate=2563,2611 REFERENCE96A reference value for a given contact, by default is 0=0.31969 WEIGHT96A weight value for a given contact, by default is 1=1.0 SWITCH96The 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=0.59042 NN=6 MM=10}
ATOMS97the atoms involved in each of the contacts you wish to calculate=2565,2616 REFERENCE97A reference value for a given contact, by default is 0=0.35057 WEIGHT97A weight value for a given contact, by default is 1=1.0 SWITCH97The 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=0.88063 NN=6 MM=10}
ATOMS98the atoms involved in each of the contacts you wish to calculate=2580,2611 REFERENCE98A reference value for a given contact, by default is 0=0.27572 WEIGHT98A weight value for a given contact, by default is 1=1.0 SWITCH98The 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=0.59042 NN=6 MM=10}
ATOMS99the atoms involved in each of the contacts you wish to calculate=2580,2616 REFERENCE99A reference value for a given contact, by default is 0=0.15858 WEIGHT99A weight value for a given contact, by default is 1=1.0 SWITCH99The 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=0.59042 NN=6 MM=10}
ATOMS100the atoms involved in each of the contacts you wish to calculate=2587,2616 REFERENCE100A reference value for a given contact, by default is 0=0.78874 WEIGHT100A weight value for a given contact, by default is 1=1.0 SWITCH100The 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=0.59042 NN=6 MM=10}
ATOMS101the atoms involved in each of the contacts you wish to calculate=2660,2760 REFERENCE101A reference value for a given contact, by default is 0=0.22866 WEIGHT101A weight value for a given contact, by default is 1=1.0 SWITCH101The 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=0.88063 NN=6 MM=10}
ATOMS102the atoms involved in each of the contacts you wish to calculate=2660,2765 REFERENCE102A reference value for a given contact, by default is 0=0.22784 WEIGHT102A weight value for a given contact, by default is 1=1.0 SWITCH102The 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=0.59042 NN=6 MM=10}
ATOMS103the atoms involved in each of the contacts you wish to calculate=2662,2723 REFERENCE103A reference value for a given contact, by default is 0=0.12844 WEIGHT103A weight value for a given contact, by default is 1=1.0 SWITCH103The 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=0.59042 NN=6 MM=10}
ATOMS104the atoms involved in each of the contacts you wish to calculate=2679,2723 REFERENCE104A reference value for a given contact, by default is 0=0.59776 WEIGHT104A weight value for a given contact, by default is 1=1.0 SWITCH104The 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=0.59042 NN=6 MM=10}
ATOMS105the atoms involved in each of the contacts you wish to calculate=2723,2760 REFERENCE105A reference value for a given contact, by default is 0=0.62102 WEIGHT105A weight value for a given contact, by default is 1=1.0 SWITCH105The 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=0.59042 NN=6 MM=10}
ATOMS106the atoms involved in each of the contacts you wish to calculate=2745,3145 REFERENCE106A reference value for a given contact, by default is 0=0.14768 WEIGHT106A weight value for a given contact, by default is 1=1.0 SWITCH106The 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=0.88063 NN=6 MM=10}
ATOMS107the atoms involved in each of the contacts you wish to calculate=2745,3150 REFERENCE107A reference value for a given contact, by default is 0=0.07435 WEIGHT107A weight value for a given contact, by default is 1=1.0 SWITCH107The 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=0.88063 NN=6 MM=10}
ATOMS108the atoms involved in each of the contacts you wish to calculate=2765,3129 REFERENCE108A reference value for a given contact, by default is 0=0.03342 WEIGHT108A weight value for a given contact, by default is 1=1.0 SWITCH108The 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=0.59042 NN=6 MM=10}
ATOMS109the atoms involved in each of the contacts you wish to calculate=2765,3145 REFERENCE109A reference value for a given contact, by default is 0=0.02063 WEIGHT109A weight value for a given contact, by default is 1=1.0 SWITCH109The 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=0.59042 NN=6 MM=10}
ATOMS110the atoms involved in each of the contacts you wish to calculate=2781,3105 REFERENCE110A reference value for a given contact, by default is 0=0.12153 WEIGHT110A weight value for a given contact, by default is 1=1.0 SWITCH110The 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=0.59042 NN=6 MM=10}
ATOMS111the atoms involved in each of the contacts you wish to calculate=2781,3129 REFERENCE111A reference value for a given contact, by default is 0=0.04228 WEIGHT111A weight value for a given contact, by default is 1=1.0 SWITCH111The 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=0.59042 NN=6 MM=10}
ATOMS112the atoms involved in each of the contacts you wish to calculate=2781,3145 REFERENCE112A reference value for a given contact, by default is 0=0.02329 WEIGHT112A weight value for a given contact, by default is 1=1.0 SWITCH112The 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=0.59042 NN=6 MM=10}
ATOMS113the atoms involved in each of the contacts you wish to calculate=2784,3105 REFERENCE113A reference value for a given contact, by default is 0=0.05357 WEIGHT113A weight value for a given contact, by default is 1=1.0 SWITCH113The 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=0.59042 NN=6 MM=10}
ATOMS114the atoms involved in each of the contacts you wish to calculate=2803,3020 REFERENCE114A reference value for a given contact, by default is 0=0.28057 WEIGHT114A weight value for a given contact, by default is 1=1.0 SWITCH114The 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=1.17084 NN=6 MM=10}
ATOMS115the atoms involved in each of the contacts you wish to calculate=2803,3026 REFERENCE115A reference value for a given contact, by default is 0=0.17971 WEIGHT115A weight value for a given contact, by default is 1=1.0 SWITCH115The 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=0.88063 NN=6 MM=10}
ATOMS116the atoms involved in each of the contacts you wish to calculate=2803,3105 REFERENCE116A reference value for a given contact, by default is 0=0.17037 WEIGHT116A weight value for a given contact, by default is 1=1.0 SWITCH116The 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=0.88063 NN=6 MM=10}
ATOMS117the atoms involved in each of the contacts you wish to calculate=2803,3124 REFERENCE117A reference value for a given contact, by default is 0=0.24364 WEIGHT117A weight value for a given contact, by default is 1=1.0 SWITCH117The 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=1.17084 NN=6 MM=10}
ATOMS118the atoms involved in each of the contacts you wish to calculate=2803,3129 REFERENCE118A reference value for a given contact, by default is 0=0.10737 WEIGHT118A weight value for a given contact, by default is 1=1.0 SWITCH118The 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=0.88063 NN=6 MM=10}
ATOMS119the atoms involved in each of the contacts you wish to calculate=2808,3105 REFERENCE119A reference value for a given contact, by default is 0=0.11014 WEIGHT119A weight value for a given contact, by default is 1=1.0 SWITCH119The 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=0.88063 NN=6 MM=10}
ATOMS120the atoms involved in each of the contacts you wish to calculate=2826,3026 REFERENCE120A reference value for a given contact, by default is 0=0.25772 WEIGHT120A weight value for a given contact, by default is 1=1.0 SWITCH120The 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=1.17084 NN=6 MM=10}
ATOMS121the atoms involved in each of the contacts you wish to calculate=2883,3587 REFERENCE121A reference value for a given contact, by default is 0=0.39678 WEIGHT121A weight value for a given contact, by default is 1=1.0 SWITCH121The 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=0.88063 NN=6 MM=10}
ATOMS122the atoms involved in each of the contacts you wish to calculate=2889,2913 REFERENCE122A reference value for a given contact, by default is 0=0.80942 WEIGHT122A weight value for a given contact, by default is 1=1.0 SWITCH122The 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=0.59042 NN=6 MM=10}
ATOMS123the atoms involved in each of the contacts you wish to calculate=2913,3498 REFERENCE123A reference value for a given contact, by default is 0=0.88622 WEIGHT123A weight value for a given contact, by default is 1=1.0 SWITCH123The 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=0.59042 NN=6 MM=10}
ATOMS124the atoms involved in each of the contacts you wish to calculate=2930,3498 REFERENCE124A reference value for a given contact, by default is 0=0.70784 WEIGHT124A weight value for a given contact, by default is 1=1.0 SWITCH124The 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=0.59042 NN=6 MM=10}
ATOMS125the atoms involved in each of the contacts you wish to calculate=2954,3256 REFERENCE125A reference value for a given contact, by default is 0=0.89550 WEIGHT125A weight value for a given contact, by default is 1=1.0 SWITCH125The 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=0.59042 NN=6 MM=10}
ATOMS126the atoms involved in each of the contacts you wish to calculate=2976,3196 REFERENCE126A reference value for a given contact, by default is 0=0.16936 WEIGHT126A weight value for a given contact, by default is 1=1.0 SWITCH126The 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=0.30021 NN=6 MM=10}
ATOMS127the atoms involved in each of the contacts you wish to calculate=3005,3124 REFERENCE127A reference value for a given contact, by default is 0=0.79504 WEIGHT127A weight value for a given contact, by default is 1=1.0 SWITCH127The 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=0.59042 NN=6 MM=10}
ATOMS128the atoms involved in each of the contacts you wish to calculate=3015,3110 REFERENCE128A reference value for a given contact, by default is 0=0.33168 WEIGHT128A weight value for a given contact, by default is 1=1.0 SWITCH128The 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=0.30021 NN=6 MM=10}
ATOMS129the atoms involved in each of the contacts you wish to calculate=3015,3124 REFERENCE129A reference value for a given contact, by default is 0=0.34342 WEIGHT129A weight value for a given contact, by default is 1=1.0 SWITCH129The 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=0.30021 NN=6 MM=10}
ATOMS130the atoms involved in each of the contacts you wish to calculate=3018,3084 REFERENCE130A reference value for a given contact, by default is 0=0.84086 WEIGHT130A weight value for a given contact, by default is 1=1.0 SWITCH130The 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=0.59042 NN=6 MM=10}
ATOMS131the atoms involved in each of the contacts you wish to calculate=3026,3084 REFERENCE131A reference value for a given contact, by default is 0=0.43254 WEIGHT131A weight value for a given contact, by default is 1=1.0 SWITCH131The 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=0.30021 NN=6 MM=10}
ATOMS132the atoms involved in each of the contacts you wish to calculate=3069,3110 REFERENCE132A reference value for a given contact, by default is 0=0.23720 WEIGHT132A weight value for a given contact, by default is 1=1.0 SWITCH132The 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=0.30021 NN=6 MM=10}
ATOMS133the atoms involved in each of the contacts you wish to calculate=3159,3209 REFERENCE133A reference value for a given contact, by default is 0=0.21219 WEIGHT133A weight value for a given contact, by default is 1=1.0 SWITCH133The 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=0.30021 NN=6 MM=10}
ATOMS134the atoms involved in each of the contacts you wish to calculate=3179,3221 REFERENCE134A reference value for a given contact, by default is 0=0.81272 WEIGHT134A weight value for a given contact, by default is 1=1.0 SWITCH134The 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=0.59042 NN=6 MM=10}
ATOMS135the atoms involved in each of the contacts you wish to calculate=3193,3237 REFERENCE135A reference value for a given contact, by default is 0=0.22442 WEIGHT135A weight value for a given contact, by default is 1=1.0 SWITCH135The 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=0.30021 NN=6 MM=10}
ATOMS136the atoms involved in each of the contacts you wish to calculate=3235,4061 REFERENCE136A reference value for a given contact, by default is 0=0.83713 WEIGHT136A weight value for a given contact, by default is 1=1.0 SWITCH136The 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=0.59042 NN=6 MM=10}
ATOMS137the atoms involved in each of the contacts you wish to calculate=3291,4004 REFERENCE137A reference value for a given contact, by default is 0=0.81622 WEIGHT137A weight value for a given contact, by default is 1=1.0 SWITCH137The 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=0.59042 NN=6 MM=10}
ATOMS138the atoms involved in each of the contacts you wish to calculate=3311,3370 REFERENCE138A reference value for a given contact, by default is 0=0.38082 WEIGHT138A weight value for a given contact, by default is 1=1.0 SWITCH138The 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=0.30021 NN=6 MM=10}
ATOMS139the atoms involved in each of the contacts you wish to calculate=3365,3404 REFERENCE139A reference value for a given contact, by default is 0=0.34954 WEIGHT139A weight value for a given contact, by default is 1=1.0 SWITCH139The 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=0.30021 NN=6 MM=10}
ATOMS140the atoms involved in each of the contacts you wish to calculate=3404,3877 REFERENCE140A reference value for a given contact, by default is 0=0.59022 WEIGHT140A weight value for a given contact, by default is 1=1.0 SWITCH140The 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=0.59042 NN=6 MM=10}
ATOMS141the atoms involved in each of the contacts you wish to calculate=3490,3530 REFERENCE141A reference value for a given contact, by default is 0=0.33777 WEIGHT141A weight value for a given contact, by default is 1=1.0 SWITCH141The 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=0.30021 NN=6 MM=10}
ATOMS142the atoms involved in each of the contacts you wish to calculate=3504,3530 REFERENCE142A reference value for a given contact, by default is 0=0.79742 WEIGHT142A weight value for a given contact, by default is 1=1.0 SWITCH142The 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=0.59042 NN=6 MM=10}
ATOMS143the atoms involved in each of the contacts you wish to calculate=3525,3549 REFERENCE143A reference value for a given contact, by default is 0=0.48141 WEIGHT143A weight value for a given contact, by default is 1=1.0 SWITCH143The 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=0.30021 NN=6 MM=10}
ATOMS144the atoms involved in each of the contacts you wish to calculate=3525,3563 REFERENCE144A reference value for a given contact, by default is 0=0.35683 WEIGHT144A weight value for a given contact, by default is 1=1.0 SWITCH144The 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=0.30021 NN=6 MM=10}
ATOMS145the atoms involved in each of the contacts you wish to calculate=3613,3648 REFERENCE145A reference value for a given contact, by default is 0=0.30122 WEIGHT145A weight value for a given contact, by default is 1=1.0 SWITCH145The 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=0.30021 NN=6 MM=10}
ATOMS146the atoms involved in each of the contacts you wish to calculate=3632,3659 REFERENCE146A reference value for a given contact, by default is 0=0.31375 WEIGHT146A weight value for a given contact, by default is 1=1.0 SWITCH146The 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=0.30021 NN=6 MM=10}
ATOMS147the atoms involved in each of the contacts you wish to calculate=3712,3741 REFERENCE147A reference value for a given contact, by default is 0=0.73793 WEIGHT147A weight value for a given contact, by default is 1=1.0 SWITCH147The 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=0.59042 NN=6 MM=10}
ATOMS148the atoms involved in each of the contacts you wish to calculate=3813,3949 REFERENCE148A reference value for a given contact, by default is 0=0.92565 WEIGHT148A weight value for a given contact, by default is 1=1.0 SWITCH148The 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=0.59042 NN=6 MM=10}
ATOMS149the atoms involved in each of the contacts you wish to calculate=3853,3883 REFERENCE149A reference value for a given contact, by default is 0=0.32419 WEIGHT149A weight value for a given contact, by default is 1=1.0 SWITCH149The 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=0.30021 NN=6 MM=10}
ATOMS150the atoms involved in each of the contacts you wish to calculate=3916,3970 REFERENCE150A reference value for a given contact, by default is 0=0.34800 WEIGHT150A weight value for a given contact, by default is 1=1.0 SWITCH150The 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=0.30021 NN=6 MM=10}
ATOMS151the atoms involved in each of the contacts you wish to calculate=4018,4072 REFERENCE151A reference value for a given contact, by default is 0=0.33908 WEIGHT151A weight value for a given contact, by default is 1=1.0 SWITCH151The 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=0.30021 NN=6 MM=10}
ATOMS152the atoms involved in each of the contacts you wish to calculate=4067,4108 REFERENCE152A reference value for a given contact, by default is 0=0.80391 WEIGHT152A weight value for a given contact, by default is 1=1.0 SWITCH152The 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=0.59042 NN=6 MM=10}
ATOMS153the atoms involved in each of the contacts you wish to calculate=4096,4177 REFERENCE153A reference value for a given contact, by default is 0=0.67081 WEIGHT153A weight value for a given contact, by default is 1=1.0 SWITCH153The 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=0.59042 NN=6 MM=10}
ATOMS154the atoms involved in each of the contacts you wish to calculate=4108,4177 REFERENCE154A reference value for a given contact, by default is 0=0.69077 WEIGHT154A weight value for a given contact, by default is 1=1.0 SWITCH154The 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=0.59042 NN=6 MM=10}
ATOMS155the atoms involved in each of the contacts you wish to calculate=4139,4177 REFERENCE155A reference value for a given contact, by default is 0=0.83697 WEIGHT155A weight value for a given contact, by default is 1=1.0 SWITCH155The 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=0.59042 NN=6 MM=10}
ATOMS156the atoms involved in each of the contacts you wish to calculate=4152,4196 REFERENCE156A reference value for a given contact, by default is 0=0.73808 WEIGHT156A weight value for a given contact, by default is 1=1.0 SWITCH156The 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=0.59042 NN=6 MM=10}
ATOMS157the atoms involved in each of the contacts you wish to calculate=4235,4296 REFERENCE157A reference value for a given contact, by default is 0=0.25580 WEIGHT157A weight value for a given contact, by default is 1=1.0 SWITCH157The 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=0.30021 NN=6 MM=10}
ATOMS158the atoms involved in each of the contacts you wish to calculate=1017,745 REFERENCE158A reference value for a given contact, by default is 0=0.03876 WEIGHT158A weight value for a given contact, by default is 1=1.0 SWITCH158The 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=0.59042 NN=6 MM=10}
ATOMS159the atoms involved in each of the contacts you wish to calculate=1018,745 REFERENCE159A reference value for a given contact, by default is 0=0.04192 WEIGHT159A weight value for a given contact, by default is 1=1.0 SWITCH159The 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=0.59042 NN=6 MM=10}
ATOMS160the atoms involved in each of the contacts you wish to calculate=1018,739 REFERENCE160A reference value for a given contact, by default is 0=0.04891 WEIGHT160A weight value for a given contact, by default is 1=1.0 SWITCH160The 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=0.59042 NN=6 MM=10}
ATOMS161the atoms involved in each of the contacts you wish to calculate=200,499 REFERENCE161A reference value for a given contact, by default is 0=0.23969 WEIGHT161A weight value for a given contact, by default is 1=1.0 SWITCH161The 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=0.30021 NN=6 MM=10}
ATOMS162the atoms involved in each of the contacts you wish to calculate=242,432 REFERENCE162A reference value for a given contact, by default is 0=0.21857 WEIGHT162A weight value for a given contact, by default is 1=1.0 SWITCH162The 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=0.30021 NN=6 MM=10}
ATOMS163the atoms involved in each of the contacts you wish to calculate=300,427 REFERENCE163A reference value for a given contact, by default is 0=0.84223 WEIGHT163A weight value for a given contact, by default is 1=1.0 SWITCH163The 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=0.59042 NN=6 MM=10}
ATOMS164the atoms involved in each of the contacts you wish to calculate=342,397 REFERENCE164A reference value for a given contact, by default is 0=0.74326 WEIGHT164A weight value for a given contact, by default is 1=1.0 SWITCH164The 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=0.59042 NN=6 MM=10}
ATOMS165the atoms involved in each of the contacts you wish to calculate=342,400 REFERENCE165A reference value for a given contact, by default is 0=0.29721 WEIGHT165A weight value for a given contact, by default is 1=1.0 SWITCH165The 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=0.30021 NN=6 MM=10}
ATOMS166the atoms involved in each of the contacts you wish to calculate=342,416 REFERENCE166A reference value for a given contact, by default is 0=0.26957 WEIGHT166A weight value for a given contact, by default is 1=1.0 SWITCH166The 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=0.30021 NN=6 MM=10}
ATOMS167the atoms involved in each of the contacts you wish to calculate=342,427 REFERENCE167A reference value for a given contact, by default is 0=0.33249 WEIGHT167A weight value for a given contact, by default is 1=1.0 SWITCH167The 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=0.30021 NN=6 MM=10}
ATOMS168the atoms involved in each of the contacts you wish to calculate=345,397 REFERENCE168A reference value for a given contact, by default is 0=0.73776 WEIGHT168A weight value for a given contact, by default is 1=1.0 SWITCH168The 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=0.59042 NN=6 MM=10}
ATOMS169the atoms involved in each of the contacts you wish to calculate=345,400 REFERENCE169A reference value for a given contact, by default is 0=0.21571 WEIGHT169A weight value for a given contact, by default is 1=1.0 SWITCH169The 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=0.30021 NN=6 MM=10}
ATOMS170the atoms involved in each of the contacts you wish to calculate=360,373 REFERENCE170A reference value for a given contact, by default is 0=0.27195 WEIGHT170A weight value for a given contact, by default is 1=1.0 SWITCH170The 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=0.30021 NN=6 MM=10}
ATOMS171the atoms involved in each of the contacts you wish to calculate=360,397 REFERENCE171A reference value for a given contact, by default is 0=0.46136 WEIGHT171A weight value for a given contact, by default is 1=1.0 SWITCH171The 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=0.30021 NN=6 MM=10}
ATOMS172the atoms involved in each of the contacts you wish to calculate=365,2830 REFERENCE172A reference value for a given contact, by default is 0=0.84617 WEIGHT172A weight value for a given contact, by default is 1=1.0 SWITCH172The 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=1.17084 NN=6 MM=10}
ATOMS173the atoms involved in each of the contacts you wish to calculate=365,2833 REFERENCE173A reference value for a given contact, by default is 0=0.84406 WEIGHT173A weight value for a given contact, by default is 1=1.0 SWITCH173The 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=0.88063 NN=6 MM=10}
ATOMS174the atoms involved in each of the contacts you wish to calculate=390,765 REFERENCE174A reference value for a given contact, by default is 0=0.85458 WEIGHT174A weight value for a given contact, by default is 1=1.0 SWITCH174The 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=0.59042 NN=6 MM=10}
ATOMS175the atoms involved in each of the contacts you wish to calculate=390,768 REFERENCE175A reference value for a given contact, by default is 0=0.42586 WEIGHT175A weight value for a given contact, by default is 1=1.0 SWITCH175The 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=0.30021 NN=6 MM=10}
ATOMS176the atoms involved in each of the contacts you wish to calculate=393,765 REFERENCE176A reference value for a given contact, by default is 0=0.55777 WEIGHT176A weight value for a given contact, by default is 1=1.0 SWITCH176The 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=0.30021 NN=6 MM=10}
ATOMS177the atoms involved in each of the contacts you wish to calculate=393,768 REFERENCE177A reference value for a given contact, by default is 0=0.29863 WEIGHT177A weight value for a given contact, by default is 1=1.0 SWITCH177The 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=0.30021 NN=6 MM=10}
ATOMS178the atoms involved in each of the contacts you wish to calculate=411,755 REFERENCE178A reference value for a given contact, by default is 0=0.20366 WEIGHT178A weight value for a given contact, by default is 1=1.0 SWITCH178The 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=0.30021 NN=6 MM=10}
ATOMS179the atoms involved in each of the contacts you wish to calculate=411,765 REFERENCE179A reference value for a given contact, by default is 0=0.30938 WEIGHT179A weight value for a given contact, by default is 1=1.0 SWITCH179The 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=0.30021 NN=6 MM=10}
ATOMS180the atoms involved in each of the contacts you wish to calculate=414,731 REFERENCE180A reference value for a given contact, by default is 0=0.20453 WEIGHT180A weight value for a given contact, by default is 1=1.0 SWITCH180The 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=0.30021 NN=6 MM=10}
ATOMS181the atoms involved in each of the contacts you wish to calculate=448,714 REFERENCE181A reference value for a given contact, by default is 0=0.78222 WEIGHT181A weight value for a given contact, by default is 1=1.0 SWITCH181The 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=0.59042 NN=6 MM=10}
ATOMS182the atoms involved in each of the contacts you wish to calculate=520,633 REFERENCE182A reference value for a given contact, by default is 0=0.80957 WEIGHT182A weight value for a given contact, by default is 1=1.0 SWITCH182The 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=0.59042 NN=6 MM=10}
ATOMS183the atoms involved in each of the contacts you wish to calculate=547,590 REFERENCE183A reference value for a given contact, by default is 0=0.74992 WEIGHT183A weight value for a given contact, by default is 1=1.0 SWITCH183The 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=0.59042 NN=6 MM=10}
ATOMS184the atoms involved in each of the contacts you wish to calculate=580,628 REFERENCE184A reference value for a given contact, by default is 0=0.56233 WEIGHT184A weight value for a given contact, by default is 1=1.0 SWITCH184The 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=0.59042 NN=6 MM=10}
ATOMS185the atoms involved in each of the contacts you wish to calculate=590,628 REFERENCE185A reference value for a given contact, by default is 0=0.88095 WEIGHT185A weight value for a given contact, by default is 1=1.0 SWITCH185The 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=0.59042 NN=6 MM=10}
ATOMS186the atoms involved in each of the contacts you wish to calculate=683,1482 REFERENCE186A reference value for a given contact, by default is 0=0.67992 WEIGHT186A weight value for a given contact, by default is 1=1.0 SWITCH186The 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=0.59042 NN=6 MM=10}
ATOMS187the atoms involved in each of the contacts you wish to calculate=683,1485 REFERENCE187A reference value for a given contact, by default is 0=0.68501 WEIGHT187A weight value for a given contact, by default is 1=1.0 SWITCH187The 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=0.59042 NN=6 MM=10}
ATOMS188the atoms involved in each of the contacts you wish to calculate=688,1482 REFERENCE188A reference value for a given contact, by default is 0=0.20827 WEIGHT188A weight value for a given contact, by default is 1=1.0 SWITCH188The 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=0.30021 NN=6 MM=10}
ATOMS189the atoms involved in each of the contacts you wish to calculate=753,1416 REFERENCE189A reference value for a given contact, by default is 0=0.86816 WEIGHT189A weight value for a given contact, by default is 1=1.0 SWITCH189The 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=0.59042 NN=6 MM=10}
ATOMS190the atoms involved in each of the contacts you wish to calculate=770,1413 REFERENCE190A reference value for a given contact, by default is 0=0.36316 WEIGHT190A weight value for a given contact, by default is 1=1.0 SWITCH190The 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=0.30021 NN=6 MM=10}
ATOMS191the atoms involved in each of the contacts you wish to calculate=784,1413 REFERENCE191A reference value for a given contact, by default is 0=0.90594 WEIGHT191A weight value for a given contact, by default is 1=1.0 SWITCH191The 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=0.59042 NN=6 MM=10}
ATOMS192the atoms involved in each of the contacts you wish to calculate=808,847 REFERENCE192A reference value for a given contact, by default is 0=0.51810 WEIGHT192A weight value for a given contact, by default is 1=1.0 SWITCH192The 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=0.59042 NN=6 MM=10}
ATOMS193the atoms involved in each of the contacts you wish to calculate=811,1383 REFERENCE193A reference value for a given contact, by default is 0=0.33106 WEIGHT193A weight value for a given contact, by default is 1=1.0 SWITCH193The 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=0.30021 NN=6 MM=10}
ATOMS194the atoms involved in each of the contacts you wish to calculate=847,2660 REFERENCE194A reference value for a given contact, by default is 0=0.98057 WEIGHT194A weight value for a given contact, by default is 1=1.0 SWITCH194The 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=0.88063 NN=6 MM=10}
ATOMS195the atoms involved in each of the contacts you wish to calculate=847,2676 REFERENCE195A reference value for a given contact, by default is 0=0.98717 WEIGHT195A weight value for a given contact, by default is 1=1.0 SWITCH195The 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=0.88063 NN=6 MM=10}
ATOMS196the atoms involved in each of the contacts you wish to calculate=850,2676 REFERENCE196A reference value for a given contact, by default is 0=0.99143 WEIGHT196A weight value for a given contact, by default is 1=1.0 SWITCH196The 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=1.17084 NN=6 MM=10}
ATOMS197the atoms involved in each of the contacts you wish to calculate=852,894 REFERENCE197A reference value for a given contact, by default is 0=0.79927 WEIGHT197A weight value for a given contact, by default is 1=1.0 SWITCH197The 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=0.59042 NN=6 MM=10}
ATOMS198the atoms involved in each of the contacts you wish to calculate=858,894 REFERENCE198A reference value for a given contact, by default is 0=0.29787 WEIGHT198A weight value for a given contact, by default is 1=1.0 SWITCH198The 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=0.30021 NN=6 MM=10}
ATOMS199the atoms involved in each of the contacts you wish to calculate=877,945 REFERENCE199A reference value for a given contact, by default is 0=0.91490 WEIGHT199A weight value for a given contact, by default is 1=1.0 SWITCH199The 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=0.59042 NN=6 MM=10}
ATOMS200the atoms involved in each of the contacts you wish to calculate=904,921 REFERENCE200A reference value for a given contact, by default is 0=0.92374 WEIGHT200A weight value for a given contact, by default is 1=1.0 SWITCH200The 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=0.59042 NN=6 MM=10}
ATOMS201the atoms involved in each of the contacts you wish to calculate=909,1372 REFERENCE201A reference value for a given contact, by default is 0=0.59865 WEIGHT201A weight value for a given contact, by default is 1=1.0 SWITCH201The 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=0.59042 NN=6 MM=10}
ATOMS202the atoms involved in each of the contacts you wish to calculate=918,960 REFERENCE202A reference value for a given contact, by default is 0=0.34511 WEIGHT202A weight value for a given contact, by default is 1=1.0 SWITCH202The 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=0.30021 NN=6 MM=10}
ATOMS203the atoms involved in each of the contacts you wish to calculate=918,979 REFERENCE203A reference value for a given contact, by default is 0=0.44527 WEIGHT203A weight value for a given contact, by default is 1=1.0 SWITCH203The 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=0.30021 NN=6 MM=10}
ATOMS204the atoms involved in each of the contacts you wish to calculate=996,1035 REFERENCE204A reference value for a given contact, by default is 0=0.83414 WEIGHT204A weight value for a given contact, by default is 1=1.0 SWITCH204The 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=0.59042 NN=6 MM=10}
ATOMS205the atoms involved in each of the contacts you wish to calculate=1005,1035 REFERENCE205A reference value for a given contact, by default is 0=0.27053 WEIGHT205A weight value for a given contact, by default is 1=1.0 SWITCH205The 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=0.30021 NN=6 MM=10}
ATOMS206the atoms involved in each of the contacts you wish to calculate=1033,1089 REFERENCE206A reference value for a given contact, by default is 0=0.21173 WEIGHT206A weight value for a given contact, by default is 1=1.0 SWITCH206The 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=0.30021 NN=6 MM=10}
ATOMS207the atoms involved in each of the contacts you wish to calculate=1110,1245 REFERENCE207A reference value for a given contact, by default is 0=0.57627 WEIGHT207A weight value for a given contact, by default is 1=1.0 SWITCH207The 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=0.59042 NN=6 MM=10}
ATOMS208the atoms involved in each of the contacts you wish to calculate=1121,1182 REFERENCE208A reference value for a given contact, by default is 0=0.36802 WEIGHT208A weight value for a given contact, by default is 1=1.0 SWITCH208The 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=0.88063 NN=6 MM=10}
ATOMS209the atoms involved in each of the contacts you wish to calculate=1121,1229 REFERENCE209A reference value for a given contact, by default is 0=0.72726 WEIGHT209A weight value for a given contact, by default is 1=1.0 SWITCH209The 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=0.59042 NN=6 MM=10}
ATOMS210the atoms involved in each of the contacts you wish to calculate=1196,2493 REFERENCE210A reference value for a given contact, by default is 0=0.29118 WEIGHT210A weight value for a given contact, by default is 1=1.0 SWITCH210The 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=0.30021 NN=6 MM=10}
ATOMS211the atoms involved in each of the contacts you wish to calculate=1234,2537 REFERENCE211A reference value for a given contact, by default is 0=0.23985 WEIGHT211A weight value for a given contact, by default is 1=1.0 SWITCH211The 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=0.30021 NN=6 MM=10}
ATOMS212the atoms involved in each of the contacts you wish to calculate=1264,1468 REFERENCE212A reference value for a given contact, by default is 0=0.83429 WEIGHT212A weight value for a given contact, by default is 1=1.0 SWITCH212The 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=0.59042 NN=6 MM=10}
ATOMS213the atoms involved in each of the contacts you wish to calculate=1269,1309 REFERENCE213A reference value for a given contact, by default is 0=0.77013 WEIGHT213A weight value for a given contact, by default is 1=1.0 SWITCH213The 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=0.59042 NN=6 MM=10}
ATOMS214the atoms involved in each of the contacts you wish to calculate=1339,1397 REFERENCE214A reference value for a given contact, by default is 0=0.28428 WEIGHT214A weight value for a given contact, by default is 1=1.0 SWITCH214The 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=0.30021 NN=6 MM=10}
ATOMS215the atoms involved in each of the contacts you wish to calculate=1342,1397 REFERENCE215A reference value for a given contact, by default is 0=0.33630 WEIGHT215A weight value for a given contact, by default is 1=1.0 SWITCH215The 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=0.30021 NN=6 MM=10}
ATOMS216the atoms involved in each of the contacts you wish to calculate=1342,1400 REFERENCE216A reference value for a given contact, by default is 0=0.81432 WEIGHT216A weight value for a given contact, by default is 1=1.0 SWITCH216The 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=0.59042 NN=6 MM=10}
ATOMS217the atoms involved in each of the contacts you wish to calculate=1523,2396 REFERENCE217A reference value for a given contact, by default is 0=0.60265 WEIGHT217A weight value for a given contact, by default is 1=1.0 SWITCH217The 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=0.59042 NN=6 MM=10}
ATOMS218the atoms involved in each of the contacts you wish to calculate=1554,2382 REFERENCE218A reference value for a given contact, by default is 0=0.15621 WEIGHT218A weight value for a given contact, by default is 1=1.0 SWITCH218The 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=0.30021 NN=6 MM=10}
ATOMS219the atoms involved in each of the contacts you wish to calculate=1576,2382 REFERENCE219A reference value for a given contact, by default is 0=0.19244 WEIGHT219A weight value for a given contact, by default is 1=1.0 SWITCH219The 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=0.30021 NN=6 MM=10}
ATOMS220the atoms involved in each of the contacts you wish to calculate=1611,2299 REFERENCE220A reference value for a given contact, by default is 0=0.36564 WEIGHT220A weight value for a given contact, by default is 1=1.0 SWITCH220The 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=0.30021 NN=6 MM=10}
ATOMS221the atoms involved in each of the contacts you wish to calculate=1611,2304 REFERENCE221A reference value for a given contact, by default is 0=0.43738 WEIGHT221A weight value for a given contact, by default is 1=1.0 SWITCH221The 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=0.30021 NN=6 MM=10}
ATOMS222the atoms involved in each of the contacts you wish to calculate=1640,1703 REFERENCE222A reference value for a given contact, by default is 0=0.79198 WEIGHT222A weight value for a given contact, by default is 1=1.0 SWITCH222The 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=0.59042 NN=6 MM=10}
ATOMS223the atoms involved in each of the contacts you wish to calculate=1658,1703 REFERENCE223A reference value for a given contact, by default is 0=0.35560 WEIGHT223A weight value for a given contact, by default is 1=1.0 SWITCH223The 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=0.30021 NN=6 MM=10}
ATOMS224the atoms involved in each of the contacts you wish to calculate=1674,1733 REFERENCE224A reference value for a given contact, by default is 0=0.32170 WEIGHT224A weight value for a given contact, by default is 1=1.0 SWITCH224The 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=0.30021 NN=6 MM=10}
ATOMS225the atoms involved in each of the contacts you wish to calculate=1677,3450 REFERENCE225A reference value for a given contact, by default is 0=0.24030 WEIGHT225A weight value for a given contact, by default is 1=1.0 SWITCH225The 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=0.30021 NN=6 MM=10}
ATOMS226the atoms involved in each of the contacts you wish to calculate=1730,1755 REFERENCE226A reference value for a given contact, by default is 0=0.22341 WEIGHT226A weight value for a given contact, by default is 1=1.0 SWITCH226The 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=0.30021 NN=6 MM=10}
ATOMS227the atoms involved in each of the contacts you wish to calculate=1730,1769 REFERENCE227A reference value for a given contact, by default is 0=0.76938 WEIGHT227A weight value for a given contact, by default is 1=1.0 SWITCH227The 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=0.59042 NN=6 MM=10}
ATOMS228the atoms involved in each of the contacts you wish to calculate=1783,1837 REFERENCE228A reference value for a given contact, by default is 0=0.80039 WEIGHT228A weight value for a given contact, by default is 1=1.0 SWITCH228The 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=0.59042 NN=6 MM=10}
ATOMS229the atoms involved in each of the contacts you wish to calculate=1835,1896 REFERENCE229A reference value for a given contact, by default is 0=0.79203 WEIGHT229A weight value for a given contact, by default is 1=1.0 SWITCH229The 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=0.59042 NN=6 MM=10}
ATOMS230the atoms involved in each of the contacts you wish to calculate=1853,1910 REFERENCE230A reference value for a given contact, by default is 0=0.55837 WEIGHT230A weight value for a given contact, by default is 1=1.0 SWITCH230The 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=0.30021 NN=6 MM=10}
ATOMS231the atoms involved in each of the contacts you wish to calculate=1858,3399 REFERENCE231A reference value for a given contact, by default is 0=0.55721 WEIGHT231A weight value for a given contact, by default is 1=1.0 SWITCH231The 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=0.59042 NN=6 MM=10}
ATOMS232the atoms involved in each of the contacts you wish to calculate=1875,1934 REFERENCE232A reference value for a given contact, by default is 0=0.20613 WEIGHT232A weight value for a given contact, by default is 1=1.0 SWITCH232The 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=0.30021 NN=6 MM=10}
ATOMS233the atoms involved in each of the contacts you wish to calculate=2002,4237 REFERENCE233A reference value for a given contact, by default is 0=0.28773 WEIGHT233A weight value for a given contact, by default is 1=1.0 SWITCH233The 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=0.30021 NN=6 MM=10}
ATOMS234the atoms involved in each of the contacts you wish to calculate=2002,4252 REFERENCE234A reference value for a given contact, by default is 0=0.83950 WEIGHT234A weight value for a given contact, by default is 1=1.0 SWITCH234The 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=0.59042 NN=6 MM=10}
ATOMS235the atoms involved in each of the contacts you wish to calculate=2053,4237 REFERENCE235A reference value for a given contact, by default is 0=0.34074 WEIGHT235A weight value for a given contact, by default is 1=1.0 SWITCH235The 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=0.30021 NN=6 MM=10}
ATOMS236the atoms involved in each of the contacts you wish to calculate=2083,2122 REFERENCE236A reference value for a given contact, by default is 0=0.33924 WEIGHT236A weight value for a given contact, by default is 1=1.0 SWITCH236The 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=0.30021 NN=6 MM=10}
ATOMS237the atoms involved in each of the contacts you wish to calculate=2088,3164 REFERENCE237A reference value for a given contact, by default is 0=0.68763 WEIGHT237A weight value for a given contact, by default is 1=1.0 SWITCH237The 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=0.88063 NN=6 MM=10}
ATOMS238the atoms involved in each of the contacts you wish to calculate=2102,2134 REFERENCE238A reference value for a given contact, by default is 0=0.41107 WEIGHT238A weight value for a given contact, by default is 1=1.0 SWITCH238The 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=0.30021 NN=6 MM=10}
ATOMS239the atoms involved in each of the contacts you wish to calculate=2102,2182 REFERENCE239A reference value for a given contact, by default is 0=0.42115 WEIGHT239A weight value for a given contact, by default is 1=1.0 SWITCH239The 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=0.30021 NN=6 MM=10}
ATOMS240the atoms involved in each of the contacts you wish to calculate=2107,4237 REFERENCE240A reference value for a given contact, by default is 0=0.71400 WEIGHT240A weight value for a given contact, by default is 1=1.0 SWITCH240The 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=0.59042 NN=6 MM=10}
ATOMS241the atoms involved in each of the contacts you wish to calculate=2196,3164 REFERENCE241A reference value for a given contact, by default is 0=0.59402 WEIGHT241A weight value for a given contact, by default is 1=1.0 SWITCH241The 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=0.59042 NN=6 MM=10}
ATOMS242the atoms involved in each of the contacts you wish to calculate=2215,2565 REFERENCE242A reference value for a given contact, by default is 0=0.70219 WEIGHT242A weight value for a given contact, by default is 1=1.0 SWITCH242The 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=0.59042 NN=6 MM=10}
ATOMS243the atoms involved in each of the contacts you wish to calculate=2229,2560 REFERENCE243A reference value for a given contact, by default is 0=0.76269 WEIGHT243A weight value for a given contact, by default is 1=1.0 SWITCH243The 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=0.59042 NN=6 MM=10}
ATOMS244the atoms involved in each of the contacts you wish to calculate=2229,2563 REFERENCE244A reference value for a given contact, by default is 0=0.74561 WEIGHT244A weight value for a given contact, by default is 1=1.0 SWITCH244The 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=0.59042 NN=6 MM=10}
ATOMS245the atoms involved in each of the contacts you wish to calculate=2234,2611 REFERENCE245A reference value for a given contact, by default is 0=0.92099 WEIGHT245A weight value for a given contact, by default is 1=1.0 SWITCH245The 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=0.59042 NN=6 MM=10}
ATOMS246the atoms involved in each of the contacts you wish to calculate=2253,2611 REFERENCE246A reference value for a given contact, by default is 0=0.87604 WEIGHT246A weight value for a given contact, by default is 1=1.0 SWITCH246The 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=0.59042 NN=6 MM=10}
ATOMS247the atoms involved in each of the contacts you wish to calculate=2265,2333 REFERENCE247A reference value for a given contact, by default is 0=0.36987 WEIGHT247A weight value for a given contact, by default is 1=1.0 SWITCH247The 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=0.30021 NN=6 MM=10}
ATOMS248the atoms involved in each of the contacts you wish to calculate=2299,3370 REFERENCE248A reference value for a given contact, by default is 0=0.32259 WEIGHT248A weight value for a given contact, by default is 1=1.0 SWITCH248The 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=0.30021 NN=6 MM=10}
ATOMS249the atoms involved in each of the contacts you wish to calculate=2560,2592 REFERENCE249A reference value for a given contact, by default is 0=0.40457 WEIGHT249A weight value for a given contact, by default is 1=1.0 SWITCH249The 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=0.30021 NN=6 MM=10}
ATOMS250the atoms involved in each of the contacts you wish to calculate=2587,2621 REFERENCE250A reference value for a given contact, by default is 0=0.96771 WEIGHT250A weight value for a given contact, by default is 1=1.0 SWITCH250The 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=0.59042 NN=6 MM=10}
ATOMS251the atoms involved in each of the contacts you wish to calculate=2606,2643 REFERENCE251A reference value for a given contact, by default is 0=0.96620 WEIGHT251A weight value for a given contact, by default is 1=1.0 SWITCH251The 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=0.59042 NN=6 MM=10}
ATOMS252the atoms involved in each of the contacts you wish to calculate=2611,2688 REFERENCE252A reference value for a given contact, by default is 0=0.98758 WEIGHT252A weight value for a given contact, by default is 1=1.0 SWITCH252The 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=0.88063 NN=6 MM=10}
ATOMS253the atoms involved in each of the contacts you wish to calculate=2616,2662 REFERENCE253A reference value for a given contact, by default is 0=0.96037 WEIGHT253A weight value for a given contact, by default is 1=1.0 SWITCH253The 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=0.59042 NN=6 MM=10}
ATOMS254the atoms involved in each of the contacts you wish to calculate=2616,2688 REFERENCE254A reference value for a given contact, by default is 0=0.97890 WEIGHT254A weight value for a given contact, by default is 1=1.0 SWITCH254The 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=0.59042 NN=6 MM=10}
ATOMS255the atoms involved in each of the contacts you wish to calculate=2662,2688 REFERENCE255A reference value for a given contact, by default is 0=0.72964 WEIGHT255A weight value for a given contact, by default is 1=1.0 SWITCH255The 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=0.59042 NN=6 MM=10}
ATOMS256the atoms involved in each of the contacts you wish to calculate=2683,2713 REFERENCE256A reference value for a given contact, by default is 0=0.38708 WEIGHT256A weight value for a given contact, by default is 1=1.0 SWITCH256The 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=0.30021 NN=6 MM=10}
ATOMS257the atoms involved in each of the contacts you wish to calculate=2688,2837 REFERENCE257A reference value for a given contact, by default is 0=0.93934 WEIGHT257A weight value for a given contact, by default is 1=1.0 SWITCH257The 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=1.75126 NN=6 MM=10}
ATOMS258the atoms involved in each of the contacts you wish to calculate=2693,2837 REFERENCE258A reference value for a given contact, by default is 0=0.89051 WEIGHT258A weight value for a given contact, by default is 1=1.0 SWITCH258The 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=1.75126 NN=6 MM=10}
ATOMS259the atoms involved in each of the contacts you wish to calculate=2745,2781 REFERENCE259A reference value for a given contact, by default is 0=0.79764 WEIGHT259A weight value for a given contact, by default is 1=1.0 SWITCH259The 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=0.59042 NN=6 MM=10}
ATOMS260the atoms involved in each of the contacts you wish to calculate=2808,2837 REFERENCE260A reference value for a given contact, by default is 0=0.58321 WEIGHT260A weight value for a given contact, by default is 1=1.0 SWITCH260The 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=0.59042 NN=6 MM=10}
ATOMS261the atoms involved in each of the contacts you wish to calculate=2875,2894 REFERENCE261A reference value for a given contact, by default is 0=0.21422 WEIGHT261A weight value for a given contact, by default is 1=1.0 SWITCH261The 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=0.30021 NN=6 MM=10}
ATOMS262the atoms involved in each of the contacts you wish to calculate=2889,2935 REFERENCE262A reference value for a given contact, by default is 0=0.36486 WEIGHT262A weight value for a given contact, by default is 1=1.0 SWITCH262The 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=0.30021 NN=6 MM=10}
ATOMS263the atoms involved in each of the contacts you wish to calculate=2892,2959 REFERENCE263A reference value for a given contact, by default is 0=0.79612 WEIGHT263A weight value for a given contact, by default is 1=1.0 SWITCH263The 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=0.59042 NN=6 MM=10}
ATOMS264the atoms involved in each of the contacts you wish to calculate=2908,2959 REFERENCE264A reference value for a given contact, by default is 0=0.23536 WEIGHT264A weight value for a given contact, by default is 1=1.0 SWITCH264The 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=0.30021 NN=6 MM=10}
ATOMS265the atoms involved in each of the contacts you wish to calculate=2908,2971 REFERENCE265A reference value for a given contact, by default is 0=0.28425 WEIGHT265A weight value for a given contact, by default is 1=1.0 SWITCH265The 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=0.30021 NN=6 MM=10}
ATOMS266the atoms involved in each of the contacts you wish to calculate=2976,3198 REFERENCE266A reference value for a given contact, by default is 0=0.12081 WEIGHT266A weight value for a given contact, by default is 1=1.0 SWITCH266The 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=0.30021 NN=6 MM=10}
ATOMS267the atoms involved in each of the contacts you wish to calculate=2984,3031 REFERENCE267A reference value for a given contact, by default is 0=0.81495 WEIGHT267A weight value for a given contact, by default is 1=1.0 SWITCH267The 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=0.59042 NN=6 MM=10}
ATOMS268the atoms involved in each of the contacts you wish to calculate=3000,3031 REFERENCE268A reference value for a given contact, by default is 0=0.23257 WEIGHT268A weight value for a given contact, by default is 1=1.0 SWITCH268The 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=0.30021 NN=6 MM=10}
ATOMS269the atoms involved in each of the contacts you wish to calculate=3018,3124 REFERENCE269A reference value for a given contact, by default is 0=0.48744 WEIGHT269A weight value for a given contact, by default is 1=1.0 SWITCH269The 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=0.30021 NN=6 MM=10}
ATOMS270the atoms involved in each of the contacts you wish to calculate=3193,4149 REFERENCE270A reference value for a given contact, by default is 0=0.75966 WEIGHT270A weight value for a given contact, by default is 1=1.0 SWITCH270The 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=0.59042 NN=6 MM=10}
ATOMS271the atoms involved in each of the contacts you wish to calculate=3291,4018 REFERENCE271A reference value for a given contact, by default is 0=0.80410 WEIGHT271A weight value for a given contact, by default is 1=1.0 SWITCH271The 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=0.59042 NN=6 MM=10}
ATOMS272the atoms involved in each of the contacts you wish to calculate=3404,3833 REFERENCE272A reference value for a given contact, by default is 0=0.34406 WEIGHT272A weight value for a given contact, by default is 1=1.0 SWITCH272The 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=0.30021 NN=6 MM=10}
ATOMS273the atoms involved in each of the contacts you wish to calculate=3473,3525 REFERENCE273A reference value for a given contact, by default is 0=0.51114 WEIGHT273A weight value for a given contact, by default is 1=1.0 SWITCH273The 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=0.59042 NN=6 MM=10}
ATOMS274the atoms involved in each of the contacts you wish to calculate=3577,3603 REFERENCE274A reference value for a given contact, by default is 0=0.38033 WEIGHT274A weight value for a given contact, by default is 1=1.0 SWITCH274The 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=0.30021 NN=6 MM=10}
ATOMS275the atoms involved in each of the contacts you wish to calculate=3643,3697 REFERENCE275A reference value for a given contact, by default is 0=0.32528 WEIGHT275A weight value for a given contact, by default is 1=1.0 SWITCH275The 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=0.30021 NN=6 MM=10}
ATOMS276the atoms involved in each of the contacts you wish to calculate=3654,3712 REFERENCE276A reference value for a given contact, by default is 0=0.45461 WEIGHT276A weight value for a given contact, by default is 1=1.0 SWITCH276The 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=0.30021 NN=6 MM=10}
ATOMS277the atoms involved in each of the contacts you wish to calculate=3659,3741 REFERENCE277A reference value for a given contact, by default is 0=0.78507 WEIGHT277A weight value for a given contact, by default is 1=1.0 SWITCH277The 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=0.59042 NN=6 MM=10}
ATOMS278the atoms involved in each of the contacts you wish to calculate=3659,3751 REFERENCE278A reference value for a given contact, by default is 0=0.65687 WEIGHT278A weight value for a given contact, by default is 1=1.0 SWITCH278The 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=0.59042 NN=6 MM=10}
ATOMS279the atoms involved in each of the contacts you wish to calculate=3676,3751 REFERENCE279A reference value for a given contact, by default is 0=0.23194 WEIGHT279A weight value for a given contact, by default is 1=1.0 SWITCH279The 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=0.30021 NN=6 MM=10}
ATOMS280the atoms involved in each of the contacts you wish to calculate=3900,3949 REFERENCE280A reference value for a given contact, by default is 0=0.17926 WEIGHT280A weight value for a given contact, by default is 1=1.0 SWITCH280The 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=0.30021 NN=6 MM=10}
ATOMS281the atoms involved in each of the contacts you wish to calculate=3968,4023 REFERENCE281A reference value for a given contact, by default is 0=0.85255 WEIGHT281A weight value for a given contact, by default is 1=1.0 SWITCH281The 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=0.59042 NN=6 MM=10}
ATOMS282the atoms involved in each of the contacts you wish to calculate=4056,4096 REFERENCE282A reference value for a given contact, by default is 0=0.37756 WEIGHT282A weight value for a given contact, by default is 1=1.0 SWITCH282The 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=0.30021 NN=6 MM=10}
ATOMS283the atoms involved in each of the contacts you wish to calculate=4096,4166 REFERENCE283A reference value for a given contact, by default is 0=0.17250 WEIGHT283A weight value for a given contact, by default is 1=1.0 SWITCH283The 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=0.30021 NN=6 MM=10}
ATOMS284the atoms involved in each of the contacts you wish to calculate=4139,4166 REFERENCE284A reference value for a given contact, by default is 0=0.35399 WEIGHT284A weight value for a given contact, by default is 1=1.0 SWITCH284The 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=0.30021 NN=6 MM=10}
ATOMS285the atoms involved in each of the contacts you wish to calculate=2768,863 REFERENCE285A reference value for a given contact, by default is 0=0.99661 WEIGHT285A weight value for a given contact, by default is 1=1.0 SWITCH285The 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=0.88063 NN=6 MM=10}
ATOMS286the atoms involved in each of the contacts you wish to calculate=2769,866 REFERENCE286A reference value for a given contact, by default is 0=0.99009 WEIGHT286A weight value for a given contact, by default is 1=1.0 SWITCH286The 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=0.88063 NN=6 MM=10}
ATOMS287the atoms involved in each of the contacts you wish to calculate=2771,860 REFERENCE287A reference value for a given contact, by default is 0=0.97178 WEIGHT287A weight value for a given contact, by default is 1=1.0 SWITCH287The 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=0.88063 NN=6 MM=10}
ATOMS288the atoms involved in each of the contacts you wish to calculate=2771,857 REFERENCE288A reference value for a given contact, by default is 0=0.92094 WEIGHT288A weight value for a given contact, by default is 1=1.0 SWITCH288The 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=0.88063 NN=6 MM=10}
ATOMS289the atoms involved in each of the contacts you wish to calculate=2774,846 REFERENCE289A reference value for a given contact, by default is 0=0.97173 WEIGHT289A weight value for a given contact, by default is 1=1.0 SWITCH289The 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=0.88063 NN=6 MM=10}
ATOMS290the atoms involved in each of the contacts you wish to calculate=2774,850 REFERENCE290A reference value for a given contact, by default is 0=0.93093 WEIGHT290A weight value for a given contact, by default is 1=1.0 SWITCH290The 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=0.88063 NN=6 MM=10}
ATOMS291the atoms involved in each of the contacts you wish to calculate=2774,840 REFERENCE291A reference value for a given contact, by default is 0=0.92964 WEIGHT291A weight value for a given contact, by default is 1=1.0 SWITCH291The 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=1.17084 NN=6 MM=10}
ATOMS292the atoms involved in each of the contacts you wish to calculate=2774,833 REFERENCE292A reference value for a given contact, by default is 0=0.99197 WEIGHT292A weight value for a given contact, by default is 1=1.0 SWITCH292The 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=0.88063 NN=6 MM=10}
ATOMS293the atoms involved in each of the contacts you wish to calculate=2776,860 REFERENCE293A reference value for a given contact, by default is 0=0.98908 WEIGHT293A weight value for a given contact, by default is 1=1.0 SWITCH293The 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=0.88063 NN=6 MM=10}
ATOMS294the atoms involved in each of the contacts you wish to calculate=1016,889 REFERENCE294A reference value for a given contact, by default is 0=0.97136 WEIGHT294A weight value for a given contact, by default is 1=3.0 SWITCH294The 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=0.59042 NN=6 MM=10}
ATOMS295the atoms involved in each of the contacts you wish to calculate=2633,1016 REFERENCE295A reference value for a given contact, by default is 0=0.63002 WEIGHT295A weight value for a given contact, by default is 1=3.0 SWITCH295The 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=0.59042 NN=6 MM=10}
ATOMS296the atoms involved in each of the contacts you wish to calculate=2704,2245 REFERENCE296A reference value for a given contact, by default is 0=0.99496 WEIGHT296A weight value for a given contact, by default is 1=3.0 SWITCH296The 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=0.88063 NN=6 MM=10}
ATOMS297the atoms involved in each of the contacts you wish to calculate=2719,889 REFERENCE297A reference value for a given contact, by default is 0=0.94385 WEIGHT297A weight value for a given contact, by default is 1=3.0 SWITCH297The 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=1.17084 NN=6 MM=10}
ATOMS298the atoms involved in each of the contacts you wish to calculate=2719,2633 REFERENCE298A reference value for a given contact, by default is 0=0.77374 WEIGHT298A weight value for a given contact, by default is 1=3.0 SWITCH298The 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=1.17084 NN=6 MM=10}
ATOMS299the atoms involved in each of the contacts you wish to calculate=3097,2704 REFERENCE299A reference value for a given contact, by default is 0=0.94080 WEIGHT299A weight value for a given contact, by default is 1=3.0 SWITCH299The 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=1.46105 NN=6 MM=10}
ATOMS300the atoms involved in each of the contacts you wish to calculate=819,254 REFERENCE300A reference value for a given contact, by default is 0=0.64378 WEIGHT300A weight value for a given contact, by default is 1=3.0 SWITCH300The 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=1.46105 NN=6 MM=10}
ATOMS301the atoms involved in each of the contacts you wish to calculate=951,889 REFERENCE301A reference value for a given contact, by default is 0=0.60321 WEIGHT301A weight value for a given contact, by default is 1=3.0 SWITCH301The 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=0.59042 NN=6 MM=10}
ATOMS302the atoms involved in each of the contacts you wish to calculate=951,800 REFERENCE302A reference value for a given contact, by default is 0=0.25087 WEIGHT302A weight value for a given contact, by default is 1=3.0 SWITCH302The 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=1.46105 NN=6 MM=10}
ATOMS303the atoms involved in each of the contacts you wish to calculate=1001,935 REFERENCE303A reference value for a given contact, by default is 0=0.37679 WEIGHT303A weight value for a given contact, by default is 1=3.0 SWITCH303The 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=0.30021 NN=6 MM=10}
ATOMS304the atoms involved in each of the contacts you wish to calculate=2740,2113 REFERENCE304A reference value for a given contact, by default is 0=0.32684 WEIGHT304A weight value for a given contact, by default is 1=3.0 SWITCH304The 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=1.46105 NN=6 MM=10}
ATOMS305the atoms involved in each of the contacts you wish to calculate=1129,1256 REFERENCE305A reference value for a given contact, by default is 0=0.52319 WEIGHT305A weight value for a given contact, by default is 1=3.0 SWITCH305The 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=0.59042 NN=6 MM=10}
ATOMS306the atoms involved in each of the contacts you wish to calculate=1133,1162 REFERENCE306A reference value for a given contact, by default is 0=0.23453 WEIGHT306A weight value for a given contact, by default is 1=1.0 SWITCH306The 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=0.59042 NN=6 MM=10}
LABELa label for the action so that its output can be referenced in the input to other actions=cmap_inactiveThe CONTACTMAP action with label cmap_inactive calculates the following quantities:
 Quantity   
 Type   
 Description  
cmap_inactive
scalar
the sum of all the switching function on all the distances
CMDIST calculate the distance with respect to the provided reference contact map
... CONTACTMAP
# --- End of included input --- 
# Monitor the helical content of the aC-helix to probe 
# its intrisically disordered nature in the monomeric form
armsdThe ALPHARMSD action with label armsd calculates the following quantities:
 Quantity   
 Type   
 Description  
armsd
scalar
if LESS_THAN is present the RMSD distance between each residue and the ideal alpha helix.  If LESS_THAN is not present the number of residue segments where the structure is similar to an alpha helix: ALPHARMSDProbe the alpha helical content of a protein structure. This action is a shortcut. More details RESIDUESthis command is used to specify the set of residues that could conceivably form part of the secondary structure=751-773 TYPE the manner in which RMSD alignment is performed=DRMSD R_0The r_0 parameter of the switching function=0.08 D_0 The d_0 parameter of the switching function=0.0 NN The n parameter of the switching function=8 MM The m parameter of the switching function=12
# PLUMED interprets the command:
# armsd: ALPHARMSD RESIDUES=751-773 TYPE=DRMSD R_0=0.08 D_0=0.0 NN=8 MM=12
# as follows (Click the red comment above to revert to the short version of the input):
armsd_rmsdThe SECONDARY_STRUCTURE_RMSD action with label armsd_rmsd calculates the following quantities:
 Quantity   
 Type   
 Description  
armsd_rmsd
vector
a vector containing the rmsd distance between each of the residue segments and the reference structure: SECONDARY_STRUCTURE_RMSDCalclulate the distance between segments of a protein and a reference structure of interest More details BONDLENGTHthe length to use for bonds=0.17 ATOMSthis is the full list of atoms that we are investigating=834,836,838,846,847,848,850,852,857,858,859,869,866,871,872,873,875,877,893,894,895,897,899,903,904,905,907,909,917,918,919,921,923,939,940,941,943,945,954,955,956,958,960,973,974,975,977,979,992,993,994,996,998,1004,1005,1006,1008,1010,1019,1020,1021,1023,1025,1029,1030,1031,1033,1035,1050,1051,1052,1054,1056,1066,1067,1068,1070,1072,1083,1084,1085,1087,1089,1093,1094,1095,1097,1099,1104,1105,1106,1108,1110,1120,1121,1122,1124,1126,1132,1133,1134,1136,1138,1146,1147,1148,1158,1155,1160,1161,1162,1164,1166,1167,1168 TYPE the manner in which RMSD alignment is performed=DRMSD SEGMENT1this is the lists of atoms in the segment that are being considered=0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29 SEGMENT2this is the lists of atoms in the segment that are being considered=5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34 SEGMENT3this is the lists of atoms in the segment that are being considered=10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39 SEGMENT4this is the lists of atoms in the segment that are being considered=15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44 SEGMENT5this is the lists of atoms in the segment that are being considered=20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49 STRUCTURE1the reference structure=0.733,0.519,5.298,1.763,0.81,4.301,3.166,0.543,4.881,1.527,-0.045,3.053,1.646,0.436,1.928,1.18,-1.312,3.254,0.924,-2.203,2.126,0.65,-3.626,2.626,-0.239,-1.711,1.261,-0.19,-1.815,0.032,-1.28,-1.172,1.891,-2.416,-0.661,1.127,-3.548,-0.217,2.056,-1.964,0.529,0.276,-2.364,0.659,-0.88,-1.13,1.391,0.856,-0.62,2.565,0.148,0.228,3.439,1.077,0.231,2.129,-1.032,0.179,2.733,-2.099,1.028,1.084,-0.833,1.872,0.593,-1.919,2.85,-0.462,-1.397,1.02,0.02,-3.049,1.317,0.227,-4.224,-0.051,-0.684,-2.696,-0.927,-1.261,-3.713,-1.933,-2.219,-3.074,-1.663,-0.171,-4.475,-1.916,-0.296,-5.673     # Action input conctinues with 13 further SEGMENTn keywords, 
armsd_ltThe LESS_THAN action with label armsd_lt calculates the following quantities:
 Quantity   
 Type   
 Description  
armsd_lt
vector
the vector obtained by doing an element-wise application of a function that is one if the input is less than a threshold to the input vectors: LESS_THANUse a switching function to determine how many of the input variables are less than a certain cutoff. More details ARGthe values input to this function=armsd_rmsd SWITCHThis keyword is used if you want to employ an alternative to the continuous swiching function defined above={RATIONAL R_0=0.08 D_0=0.0 NN=8 MM=12}
armsdThe SUM action with label armsd calculates the following quantities:
 Quantity   
 Type   
 Description  
armsd
scalar
the sum of all the elements in the input vector: SUMCalculate the sum of the arguments More details ARGthe values input to this function=armsd_lt PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
# --- End of included input ---