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
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
K745_E762: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=745,1016
The DISTANCE action with label K745_E762 calculates the following quantities: Quantity | Description |
K745_E762.value | the DISTANCE between this pair of atoms |
K745_D855: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=745,2556
The DISTANCE action with label K745_D855 calculates the following quantities: Quantity | Description |
K745_D855.value | the DISTANCE between this pair of atoms |
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=d
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
The MATHEVAL action with label d calculates the following quantities: Quantity | Description |
d.value | an arbitrary function |
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=cmap_active.dat
# INCLUDE FILE=cmap_active.dat
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_active
CMDIST calculate the distance with respect to the provided reference contact map
... CONTACTMAP
# --- End of included input ---
The CONTACTMAP action with label cmap_active calculates the following quantities: Quantity | Description |
cmap_active.contact | By not using SUM or CMDIST each contact will be stored in a component |
cmap_active.value | the sum of all the switching function on all the distances |
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=cmap_inactive.dat
# INCLUDE FILE=cmap_inactive.dat
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_inactive
CMDIST calculate the distance with respect to the provided reference contact map
... CONTACTMAP
# --- End of included input ---
The CONTACTMAP action with label cmap_inactive calculates the following quantities: Quantity | Description |
cmap_inactive.contact | By not using SUM or CMDIST each contact will be stored in a component |
cmap_inactive.value | the sum of all the switching function on all the distances |
armsd: ALPHARMSDProbe the alpha helical content of a protein structure. 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
The ALPHARMSD action with label armsd calculates the following quantities: Quantity | Description |
armsd.struct | the vectors containing the rmsd distances between the residues and each of the reference structures |
armsd.lessthan | the number blocks of residues that have an RMSD from the secondary structure that is less than the threshold |
armsd.value | if LESS_THAN is present the RMSD distance between each residue and the ideal alpha helix |