PLUMED-NEST

Project ID: plumID:25.023
Source: dimer/bias_2/plumed.dat
Originally used with PLUMED version: 2.8
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes

RESTARTActivate restart. More details
The RESTART action with label  calculates somethingrmsda: RMSDCalculate the RMSD with respect to a reference structure. More details REFERENCEa file in pdb format containing the reference structure and the atoms involved in the CV=prot_ref_a.pdb TYPE the manner in which RMSD alignment is performed=OPTIMAL
The RMSD action with label rmsda calculates the following quantities:
 Quantity   
 Description  
rmsda.value
the RMSD distance between the instaneous structure and the reference structure/s that were inputrmsdb: RMSDCalculate the RMSD with respect to a reference structure. More details REFERENCEa file in pdb format containing the reference structure and the atoms involved in the CV=prot_ref_b.pdb TYPE the manner in which RMSD alignment is performed=OPTIMAL
The RMSD action with label rmsdb calculates the following quantities:
 Quantity   
 Description  
rmsdb.value
the RMSD distance between the instaneous structure and the reference structure/s that were inputsumrmsdint: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=rmsda,rmsdb VARthe names to give each of the arguments in the function=ax,bx FUNCthe function you wish to evaluate=sqrt(ax*ax+bx*bx) PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO

The CUSTOM action with label sumrmsdint calculates the following quantities:
 Quantity   
 Description  
sumrmsdint.value
an arbitrary functioncmap: CONTACTMAPCalculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details ...
   ATOMS1the atoms involved in each of the contacts you wish to calculate=1,1198 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=0.2 D_0=0.6436} WEIGHT1A weight value for a given contact, by default is 1=0.00325733
   ATOMS2the atoms involved in each of the contacts you wish to calculate=5,1202 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=0.2 D_0=0.5463} WEIGHT2A weight value for a given contact, by default is 1=0.00325733
   ATOMS3the atoms involved in each of the contacts you wish to calculate=8,1205 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=0.2 D_0=0.5207} WEIGHT3A weight value for a given contact, by default is 1=0.00325733
   ATOMS4the atoms involved in each of the contacts you wish to calculate=9,1206 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=0.2 D_0=0.5222} WEIGHT4A weight value for a given contact, by default is 1=0.00325733
   ATOMS5the atoms involved in each of the contacts you wish to calculate=10,1207 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=0.2 D_0=0.5032} WEIGHT5A weight value for a given contact, by default is 1=0.00325733
   ATOMS6the atoms involved in each of the contacts you wish to calculate=12,1209 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=0.2 D_0=0.4933} WEIGHT6A weight value for a given contact, by default is 1=0.00325733
   ATOMS7the atoms involved in each of the contacts you wish to calculate=19,1216 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=0.2 D_0=0.4803} WEIGHT7A weight value for a given contact, by default is 1=0.00325733
   ATOMS8the atoms involved in each of the contacts you wish to calculate=20,1217 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=0.2 D_0=0.4805} WEIGHT8A weight value for a given contact, by default is 1=0.00325733
   ATOMS9the atoms involved in each of the contacts you wish to calculate=21,1218 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=0.2 D_0=0.4732} WEIGHT9A weight value for a given contact, by default is 1=0.00325733
   ATOMS10the atoms involved in each of the contacts you wish to calculate=23,1220 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=0.2 D_0=0.4719} WEIGHT10A weight value for a given contact, by default is 1=0.00325733
   ATOMS11the atoms involved in each of the contacts you wish to calculate=35,1232 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=0.2 D_0=0.4773} WEIGHT11A weight value for a given contact, by default is 1=0.00325733
   ATOMS12the atoms involved in each of the contacts you wish to calculate=36,1233 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=0.2 D_0=0.4767} WEIGHT12A weight value for a given contact, by default is 1=0.00325733
   ATOMS13the atoms involved in each of the contacts you wish to calculate=37,1234 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=0.2 D_0=0.4785} WEIGHT13A weight value for a given contact, by default is 1=0.00325733
   ATOMS14the atoms involved in each of the contacts you wish to calculate=39,1236 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=0.2 D_0=0.4807} WEIGHT14A weight value for a given contact, by default is 1=0.00325733
   ATOMS15the atoms involved in each of the contacts you wish to calculate=52,1249 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=0.2 D_0=0.4782} WEIGHT15A weight value for a given contact, by default is 1=0.00325733
   ATOMS16the atoms involved in each of the contacts you wish to calculate=53,1250 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=0.2 D_0=0.4786} WEIGHT16A weight value for a given contact, by default is 1=0.00325733
   ATOMS17the atoms involved in each of the contacts you wish to calculate=54,1251 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=0.2 D_0=0.4778} WEIGHT17A weight value for a given contact, by default is 1=0.00325733
   ATOMS18the atoms involved in each of the contacts you wish to calculate=56,1253 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=0.2 D_0=0.4737} WEIGHT18A weight value for a given contact, by default is 1=0.00325733
   ATOMS19the atoms involved in each of the contacts you wish to calculate=71,1268 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=0.2 D_0=0.4751} WEIGHT19A weight value for a given contact, by default is 1=0.00325733
   ATOMS20the atoms involved in each of the contacts you wish to calculate=72,1269 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=0.2 D_0=0.4787} WEIGHT20A weight value for a given contact, by default is 1=0.00325733
   ATOMS21the atoms involved in each of the contacts you wish to calculate=73,1270 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=0.2 D_0=0.4757} WEIGHT21A weight value for a given contact, by default is 1=0.00325733
   ATOMS22the atoms involved in each of the contacts you wish to calculate=75,1272 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=0.2 D_0=0.4742} WEIGHT22A weight value for a given contact, by default is 1=0.00325733
   ATOMS23the atoms involved in each of the contacts you wish to calculate=87,1284 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=0.2 D_0=0.4784} WEIGHT23A weight value for a given contact, by default is 1=0.00325733
   ATOMS24the atoms involved in each of the contacts you wish to calculate=88,1285 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=0.2 D_0=0.4793} WEIGHT24A weight value for a given contact, by default is 1=0.00325733
   ATOMS25the atoms involved in each of the contacts you wish to calculate=89,1286 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=0.2 D_0=0.4808} WEIGHT25A weight value for a given contact, by default is 1=0.00325733
   ATOMS26the atoms involved in each of the contacts you wish to calculate=91,1288 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=0.2 D_0=0.4845} WEIGHT26A weight value for a given contact, by default is 1=0.00325733
   ATOMS27the atoms involved in each of the contacts you wish to calculate=108,1305 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=0.2 D_0=0.4956} WEIGHT27A weight value for a given contact, by default is 1=0.00325733
   ATOMS28the atoms involved in each of the contacts you wish to calculate=109,1306 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=0.2 D_0=0.4981} WEIGHT28A weight value for a given contact, by default is 1=0.00325733
   ATOMS29the atoms involved in each of the contacts you wish to calculate=110,1307 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=0.2 D_0=0.5057} WEIGHT29A weight value for a given contact, by default is 1=0.00325733
   ATOMS30the atoms involved in each of the contacts you wish to calculate=112,1309 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=0.2 D_0=0.5262} WEIGHT30A weight value for a given contact, by default is 1=0.00325733
   ATOMS31the atoms involved in each of the contacts you wish to calculate=130,1327 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=0.2 D_0=0.5310} WEIGHT31A weight value for a given contact, by default is 1=0.00325733
   ATOMS32the atoms involved in each of the contacts you wish to calculate=131,1328 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=0.2 D_0=0.5776} WEIGHT32A weight value for a given contact, by default is 1=0.00325733
   ATOMS33the atoms involved in each of the contacts you wish to calculate=132,1329 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=0.2 D_0=0.4890} WEIGHT33A weight value for a given contact, by default is 1=0.00325733
   ATOMS34the atoms involved in each of the contacts you wish to calculate=136,1333 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=0.2 D_0=0.5120} WEIGHT34A weight value for a given contact, by default is 1=0.00325733
   ATOMS35the atoms involved in each of the contacts you wish to calculate=144,1341 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=0.2 D_0=0.5169} WEIGHT35A weight value for a given contact, by default is 1=0.00325733
   ATOMS36the atoms involved in each of the contacts you wish to calculate=145,1342 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=0.2 D_0=0.5173} WEIGHT36A weight value for a given contact, by default is 1=0.00325733
   ATOMS37the atoms involved in each of the contacts you wish to calculate=146,1343 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=0.2 D_0=0.5209} WEIGHT37A weight value for a given contact, by default is 1=0.00325733
   ATOMS38the atoms involved in each of the contacts you wish to calculate=148,1345 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=0.2 D_0=0.5293} WEIGHT38A weight value for a given contact, by default is 1=0.00325733
   ATOMS39the atoms involved in each of the contacts you wish to calculate=160,1357 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=0.2 D_0=0.5530} WEIGHT39A weight value for a given contact, by default is 1=0.00325733
   ATOMS40the atoms involved in each of the contacts you wish to calculate=161,1358 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=0.2 D_0=0.6112} WEIGHT40A weight value for a given contact, by default is 1=0.00325733
   ATOMS41the atoms involved in each of the contacts you wish to calculate=162,1359 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=0.2 D_0=0.5134} WEIGHT41A weight value for a given contact, by default is 1=0.00325733
   ATOMS42the atoms involved in each of the contacts you wish to calculate=164,1361 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=0.2 D_0=0.5042} WEIGHT42A weight value for a given contact, by default is 1=0.00325733
   ATOMS43the atoms involved in each of the contacts you wish to calculate=172,1369 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=0.2 D_0=0.5071} WEIGHT43A weight value for a given contact, by default is 1=0.00325733
   ATOMS44the atoms involved in each of the contacts you wish to calculate=173,1370 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=0.2 D_0=0.5075} WEIGHT44A weight value for a given contact, by default is 1=0.00325733
   ATOMS45the atoms involved in each of the contacts you wish to calculate=174,1371 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=0.2 D_0=0.5140} WEIGHT45A weight value for a given contact, by default is 1=0.00325733
   ATOMS46the atoms involved in each of the contacts you wish to calculate=176,1373 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=0.2 D_0=0.5301} WEIGHT46A weight value for a given contact, by default is 1=0.00325733
   ATOMS47the atoms involved in each of the contacts you wish to calculate=191,1388 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=0.2 D_0=0.5192} WEIGHT47A weight value for a given contact, by default is 1=0.00325733
   ATOMS48the atoms involved in each of the contacts you wish to calculate=192,1389 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=0.2 D_0=0.5507} WEIGHT48A weight value for a given contact, by default is 1=0.00325733
   ATOMS49the atoms involved in each of the contacts you wish to calculate=193,1390 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=0.2 D_0=0.4762} WEIGHT49A weight value for a given contact, by default is 1=0.00325733
   ATOMS50the atoms involved in each of the contacts you wish to calculate=195,1392 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=0.2 D_0=0.4788} WEIGHT50A weight value for a given contact, by default is 1=0.00325733
   ATOMS51the atoms involved in each of the contacts you wish to calculate=202,1399 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=0.2 D_0=0.4853} WEIGHT51A weight value for a given contact, by default is 1=0.00325733
   ATOMS52the atoms involved in each of the contacts you wish to calculate=203,1400 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=0.2 D_0=0.4512} WEIGHT52A weight value for a given contact, by default is 1=0.00325733
   ATOMS53the atoms involved in each of the contacts you wish to calculate=204,1401 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=0.2 D_0=0.5311} WEIGHT53A weight value for a given contact, by default is 1=0.00325733
   ATOMS54the atoms involved in each of the contacts you wish to calculate=206,1403 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=0.2 D_0=0.5199} WEIGHT54A weight value for a given contact, by default is 1=0.00325733
   ATOMS55the atoms involved in each of the contacts you wish to calculate=224,1421 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=0.2 D_0=0.4912} WEIGHT55A weight value for a given contact, by default is 1=0.00325733
   ATOMS56the atoms involved in each of the contacts you wish to calculate=225,1422 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=0.2 D_0=0.4848} WEIGHT56A weight value for a given contact, by default is 1=0.00325733
   ATOMS57the atoms involved in each of the contacts you wish to calculate=226,1423 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=0.2 D_0=0.4856} WEIGHT57A weight value for a given contact, by default is 1=0.00325733
   ATOMS58the atoms involved in each of the contacts you wish to calculate=228,1425 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=0.2 D_0=0.4713} WEIGHT58A weight value for a given contact, by default is 1=0.00325733
   ATOMS59the atoms involved in each of the contacts you wish to calculate=240,1437 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=0.2 D_0=0.4735} WEIGHT59A weight value for a given contact, by default is 1=0.00325733
   ATOMS60the atoms involved in each of the contacts you wish to calculate=241,1438 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=0.2 D_0=0.4727} WEIGHT60A weight value for a given contact, by default is 1=0.00325733
   ATOMS61the atoms involved in each of the contacts you wish to calculate=242,1439 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=0.2 D_0=0.4785} WEIGHT61A weight value for a given contact, by default is 1=0.00325733
   ATOMS62the atoms involved in each of the contacts you wish to calculate=244,1441 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=0.2 D_0=0.4845} WEIGHT62A weight value for a given contact, by default is 1=0.00325733
   ATOMS63the atoms involved in each of the contacts you wish to calculate=254,1451 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=0.2 D_0=0.4737} WEIGHT63A weight value for a given contact, by default is 1=0.00325733
   ATOMS64the atoms involved in each of the contacts you wish to calculate=255,1452 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=0.2 D_0=0.4665} WEIGHT64A weight value for a given contact, by default is 1=0.00325733
   ATOMS65the atoms involved in each of the contacts you wish to calculate=256,1453 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=0.2 D_0=0.4729} WEIGHT65A weight value for a given contact, by default is 1=0.00325733
   ATOMS66the atoms involved in each of the contacts you wish to calculate=258,1455 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=0.2 D_0=0.4694} WEIGHT66A weight value for a given contact, by default is 1=0.00325733
   ATOMS67the atoms involved in each of the contacts you wish to calculate=265,1462 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=0.2 D_0=0.4834} WEIGHT67A weight value for a given contact, by default is 1=0.00325733
   ATOMS68the atoms involved in each of the contacts you wish to calculate=266,1463 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=0.2 D_0=0.4864} WEIGHT68A weight value for a given contact, by default is 1=0.00325733
   ATOMS69the atoms involved in each of the contacts you wish to calculate=267,1464 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=0.2 D_0=0.4916} WEIGHT69A weight value for a given contact, by default is 1=0.00325733
   ATOMS70the atoms involved in each of the contacts you wish to calculate=269,1466 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=0.2 D_0=0.5067} WEIGHT70A weight value for a given contact, by default is 1=0.00325733
   ATOMS71the atoms involved in each of the contacts you wish to calculate=287,1484 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=0.2 D_0=0.4870} WEIGHT71A weight value for a given contact, by default is 1=0.00325733
   ATOMS72the atoms involved in each of the contacts you wish to calculate=288,1485 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=0.2 D_0=0.4849} WEIGHT72A weight value for a given contact, by default is 1=0.00325733
   ATOMS73the atoms involved in each of the contacts you wish to calculate=289,1486 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=0.2 D_0=0.4740} WEIGHT73A weight value for a given contact, by default is 1=0.00325733
   ATOMS74the atoms involved in each of the contacts you wish to calculate=291,1488 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=0.2 D_0=0.4520} WEIGHT74A weight value for a given contact, by default is 1=0.00325733
   ATOMS75the atoms involved in each of the contacts you wish to calculate=298,1495 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=0.2 D_0=0.4595} WEIGHT75A weight value for a given contact, by default is 1=0.00325733
   ATOMS76the atoms involved in each of the contacts you wish to calculate=299,1496 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=0.2 D_0=0.4612} WEIGHT76A weight value for a given contact, by default is 1=0.00325733
   ATOMS77the atoms involved in each of the contacts you wish to calculate=300,1497 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=0.2 D_0=0.4605} WEIGHT77A weight value for a given contact, by default is 1=0.00325733
   ATOMS78the atoms involved in each of the contacts you wish to calculate=302,1499 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=0.2 D_0=0.4664} WEIGHT78A weight value for a given contact, by default is 1=0.00325733
   ATOMS79the atoms involved in each of the contacts you wish to calculate=305,1502 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=0.2 D_0=0.4503} WEIGHT79A weight value for a given contact, by default is 1=0.00325733
   ATOMS80the atoms involved in each of the contacts you wish to calculate=306,1503 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=0.2 D_0=0.4322} WEIGHT80A weight value for a given contact, by default is 1=0.00325733
   ATOMS81the atoms involved in each of the contacts you wish to calculate=307,1504 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=0.2 D_0=0.4570} WEIGHT81A weight value for a given contact, by default is 1=0.00325733
   ATOMS82the atoms involved in each of the contacts you wish to calculate=309,1506 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=0.2 D_0=0.4594} WEIGHT82A weight value for a given contact, by default is 1=0.00325733
   ATOMS83the atoms involved in each of the contacts you wish to calculate=316,1513 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=0.2 D_0=0.4770} WEIGHT83A weight value for a given contact, by default is 1=0.00325733
   ATOMS84the atoms involved in each of the contacts you wish to calculate=317,1514 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=0.2 D_0=0.4801} WEIGHT84A weight value for a given contact, by default is 1=0.00325733
   ATOMS85the atoms involved in each of the contacts you wish to calculate=318,1515 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=0.2 D_0=0.4919} WEIGHT85A weight value for a given contact, by default is 1=0.00325733
   ATOMS86the atoms involved in each of the contacts you wish to calculate=320,1517 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=0.2 D_0=0.5119} WEIGHT86A weight value for a given contact, by default is 1=0.00325733
   ATOMS87the atoms involved in each of the contacts you wish to calculate=335,1532 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=0.2 D_0=0.4979} WEIGHT87A weight value for a given contact, by default is 1=0.00325733
   ATOMS88the atoms involved in each of the contacts you wish to calculate=336,1533 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=0.2 D_0=0.4993} WEIGHT88A weight value for a given contact, by default is 1=0.00325733
   ATOMS89the atoms involved in each of the contacts you wish to calculate=337,1534 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=0.2 D_0=0.4903} WEIGHT89A weight value for a given contact, by default is 1=0.00325733
   ATOMS90the atoms involved in each of the contacts you wish to calculate=339,1536 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=0.2 D_0=0.4829} WEIGHT90A weight value for a given contact, by default is 1=0.00325733
   ATOMS91the atoms involved in each of the contacts you wish to calculate=342,1539 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=0.2 D_0=0.4816} WEIGHT91A weight value for a given contact, by default is 1=0.00325733
   ATOMS92the atoms involved in each of the contacts you wish to calculate=343,1540 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=0.2 D_0=0.4809} WEIGHT92A weight value for a given contact, by default is 1=0.00325733
   ATOMS93the atoms involved in each of the contacts you wish to calculate=344,1541 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=0.2 D_0=0.4813} WEIGHT93A weight value for a given contact, by default is 1=0.00325733
   ATOMS94the atoms involved in each of the contacts you wish to calculate=346,1543 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=0.2 D_0=0.4772} WEIGHT94A weight value for a given contact, by default is 1=0.00325733
   ATOMS95the atoms involved in each of the contacts you wish to calculate=356,1553 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=0.2 D_0=0.4802} WEIGHT95A weight value for a given contact, by default is 1=0.00325733
   ATOMS96the atoms involved in each of the contacts you wish to calculate=357,1554 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=0.2 D_0=0.4804} WEIGHT96A weight value for a given contact, by default is 1=0.00325733
   ATOMS97the atoms involved in each of the contacts you wish to calculate=358,1555 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=0.2 D_0=0.4828} WEIGHT97A weight value for a given contact, by default is 1=0.00325733
   ATOMS98the atoms involved in each of the contacts you wish to calculate=360,1557 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=0.2 D_0=0.4814} WEIGHT98A weight value for a given contact, by default is 1=0.00325733
   ATOMS99the atoms involved in each of the contacts you wish to calculate=375,1572 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=0.2 D_0=0.4857} WEIGHT99A weight value for a given contact, by default is 1=0.00325733
   ATOMS100the atoms involved in each of the contacts you wish to calculate=376,1573 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=0.2 D_0=0.4888} WEIGHT100A weight value for a given contact, by default is 1=0.00325733
   ATOMS101the atoms involved in each of the contacts you wish to calculate=377,1574 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=0.2 D_0=0.4868} WEIGHT101A weight value for a given contact, by default is 1=0.00325733
   ATOMS102the atoms involved in each of the contacts you wish to calculate=379,1576 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=0.2 D_0=0.4897} WEIGHT102A weight value for a given contact, by default is 1=0.00325733
   ATOMS103the atoms involved in each of the contacts you wish to calculate=392,1589 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=0.2 D_0=0.4933} WEIGHT103A weight value for a given contact, by default is 1=0.00325733
   ATOMS104the atoms involved in each of the contacts you wish to calculate=393,1590 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=0.2 D_0=0.4945} WEIGHT104A weight value for a given contact, by default is 1=0.00325733
   ATOMS105the atoms involved in each of the contacts you wish to calculate=394,1591 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=0.2 D_0=0.4954} WEIGHT105A weight value for a given contact, by default is 1=0.00325733
   ATOMS106the atoms involved in each of the contacts you wish to calculate=396,1593 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=0.2 D_0=0.5019} WEIGHT106A weight value for a given contact, by default is 1=0.00325733
   ATOMS107the atoms involved in each of the contacts you wish to calculate=409,1606 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=0.2 D_0=0.5040} WEIGHT107A weight value for a given contact, by default is 1=0.00325733
   ATOMS108the atoms involved in each of the contacts you wish to calculate=410,1607 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=0.2 D_0=0.5037} WEIGHT108A weight value for a given contact, by default is 1=0.00325733
   ATOMS109the atoms involved in each of the contacts you wish to calculate=411,1608 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=0.2 D_0=0.5069} WEIGHT109A weight value for a given contact, by default is 1=0.00325733
   ATOMS110the atoms involved in each of the contacts you wish to calculate=413,1610 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=0.2 D_0=0.5202} WEIGHT110A weight value for a given contact, by default is 1=0.00325733
   ATOMS111the atoms involved in each of the contacts you wish to calculate=431,1628 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=0.2 D_0=0.5317} WEIGHT111A weight value for a given contact, by default is 1=0.00325733
   ATOMS112the atoms involved in each of the contacts you wish to calculate=432,1629 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=0.2 D_0=0.5585} WEIGHT112A weight value for a given contact, by default is 1=0.00325733
   ATOMS113the atoms involved in each of the contacts you wish to calculate=433,1630 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=0.2 D_0=0.5150} WEIGHT113A weight value for a given contact, by default is 1=0.00325733
   ATOMS114the atoms involved in each of the contacts you wish to calculate=437,1634 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=0.2 D_0=0.5219} WEIGHT114A weight value for a given contact, by default is 1=0.00325733
   ATOMS115the atoms involved in each of the contacts you wish to calculate=445,1642 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=0.2 D_0=0.5046} WEIGHT115A weight value for a given contact, by default is 1=0.00325733
   ATOMS116the atoms involved in each of the contacts you wish to calculate=446,1643 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=0.2 D_0=0.5028} WEIGHT116A weight value for a given contact, by default is 1=0.00325733
   ATOMS117the atoms involved in each of the contacts you wish to calculate=447,1644 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=0.2 D_0=0.4944} WEIGHT117A weight value for a given contact, by default is 1=0.00325733
   ATOMS118the atoms involved in each of the contacts you wish to calculate=449,1646 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=0.2 D_0=0.4730} WEIGHT118A weight value for a given contact, by default is 1=0.00325733
   ATOMS119the atoms involved in each of the contacts you wish to calculate=452,1649 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=0.2 D_0=0.4887} WEIGHT119A weight value for a given contact, by default is 1=0.00325733
   ATOMS120the atoms involved in each of the contacts you wish to calculate=453,1650 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=0.2 D_0=0.5098} WEIGHT120A weight value for a given contact, by default is 1=0.00325733
   ATOMS121the atoms involved in each of the contacts you wish to calculate=454,1651 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=0.2 D_0=0.4960} WEIGHT121A weight value for a given contact, by default is 1=0.00325733
   ATOMS122the atoms involved in each of the contacts you wish to calculate=456,1653 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=0.2 D_0=0.5174} WEIGHT122A weight value for a given contact, by default is 1=0.00325733
   ATOMS123the atoms involved in each of the contacts you wish to calculate=459,1656 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=0.2 D_0=0.4739} WEIGHT123A weight value for a given contact, by default is 1=0.00325733
   ATOMS124the atoms involved in each of the contacts you wish to calculate=460,1657 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=0.2 D_0=0.4057} WEIGHT124A weight value for a given contact, by default is 1=0.00325733
   ATOMS125the atoms involved in each of the contacts you wish to calculate=461,1658 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=0.2 D_0=0.5178} WEIGHT125A weight value for a given contact, by default is 1=0.00325733
   ATOMS126the atoms involved in each of the contacts you wish to calculate=463,1660 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=0.2 D_0=0.4954} WEIGHT126A weight value for a given contact, by default is 1=0.00325733
   ATOMS127the atoms involved in each of the contacts you wish to calculate=466,1663 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=0.2 D_0=0.4830} WEIGHT127A weight value for a given contact, by default is 1=0.00325733
   ATOMS128the atoms involved in each of the contacts you wish to calculate=467,1664 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=0.2 D_0=0.4828} WEIGHT128A weight value for a given contact, by default is 1=0.00325733
   ATOMS129the atoms involved in each of the contacts you wish to calculate=468,1665 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=0.2 D_0=0.4769} WEIGHT129A weight value for a given contact, by default is 1=0.00325733
   ATOMS130the atoms involved in each of the contacts you wish to calculate=470,1667 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=0.2 D_0=0.4754} WEIGHT130A weight value for a given contact, by default is 1=0.00325733
   ATOMS131the atoms involved in each of the contacts you wish to calculate=483,1680 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=0.2 D_0=0.4757} WEIGHT131A weight value for a given contact, by default is 1=0.00325733
   ATOMS132the atoms involved in each of the contacts you wish to calculate=484,1681 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=0.2 D_0=0.4752} WEIGHT132A weight value for a given contact, by default is 1=0.00325733
   ATOMS133the atoms involved in each of the contacts you wish to calculate=485,1682 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=0.2 D_0=0.4747} WEIGHT133A weight value for a given contact, by default is 1=0.00325733
   ATOMS134the atoms involved in each of the contacts you wish to calculate=487,1684 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=0.2 D_0=0.4687} WEIGHT134A weight value for a given contact, by default is 1=0.00325733
   ATOMS135the atoms involved in each of the contacts you wish to calculate=499,1696 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=0.2 D_0=0.4836} WEIGHT135A weight value for a given contact, by default is 1=0.00325733
   ATOMS136the atoms involved in each of the contacts you wish to calculate=500,1697 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=0.2 D_0=0.4895} WEIGHT136A weight value for a given contact, by default is 1=0.00325733
   ATOMS137the atoms involved in each of the contacts you wish to calculate=501,1698 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=0.2 D_0=0.4937} WEIGHT137A weight value for a given contact, by default is 1=0.00325733
   ATOMS138the atoms involved in each of the contacts you wish to calculate=503,1700 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=0.2 D_0=0.5125} WEIGHT138A weight value for a given contact, by default is 1=0.00325733
   ATOMS139the atoms involved in each of the contacts you wish to calculate=514,1711 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=0.2 D_0=0.4901} WEIGHT139A weight value for a given contact, by default is 1=0.00325733
   ATOMS140the atoms involved in each of the contacts you wish to calculate=515,1712 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=0.2 D_0=0.4854} WEIGHT140A weight value for a given contact, by default is 1=0.00325733
   ATOMS141the atoms involved in each of the contacts you wish to calculate=516,1713 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=0.2 D_0=0.4810} WEIGHT141A weight value for a given contact, by default is 1=0.00325733
   ATOMS142the atoms involved in each of the contacts you wish to calculate=518,1715 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=0.2 D_0=0.4696} WEIGHT142A weight value for a given contact, by default is 1=0.00325733
   ATOMS143the atoms involved in each of the contacts you wish to calculate=530,1727 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=0.2 D_0=0.4811} WEIGHT143A weight value for a given contact, by default is 1=0.00325733
   ATOMS144the atoms involved in each of the contacts you wish to calculate=531,1728 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=0.2 D_0=0.4848} WEIGHT144A weight value for a given contact, by default is 1=0.00325733
   ATOMS145the atoms involved in each of the contacts you wish to calculate=532,1729 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=0.2 D_0=0.4888} WEIGHT145A weight value for a given contact, by default is 1=0.00325733
   ATOMS146the atoms involved in each of the contacts you wish to calculate=534,1731 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=0.2 D_0=0.4977} WEIGHT146A weight value for a given contact, by default is 1=0.00325733
   ATOMS147the atoms involved in each of the contacts you wish to calculate=552,1749 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=0.2 D_0=0.4927} WEIGHT147A weight value for a given contact, by default is 1=0.00325733
   ATOMS148the atoms involved in each of the contacts you wish to calculate=553,1750 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=0.2 D_0=0.4916} WEIGHT148A weight value for a given contact, by default is 1=0.00325733
   ATOMS149the atoms involved in each of the contacts you wish to calculate=554,1751 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=0.2 D_0=0.4887} WEIGHT149A weight value for a given contact, by default is 1=0.00325733
   ATOMS150the atoms involved in each of the contacts you wish to calculate=556,1753 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=0.2 D_0=0.4780} WEIGHT150A weight value for a given contact, by default is 1=0.00325733
   ATOMS151the atoms involved in each of the contacts you wish to calculate=563,1760 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=0.2 D_0=0.4956} WEIGHT151A weight value for a given contact, by default is 1=0.00325733
   ATOMS152the atoms involved in each of the contacts you wish to calculate=564,1761 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=0.2 D_0=0.5336} WEIGHT152A weight value for a given contact, by default is 1=0.00325733
   ATOMS153the atoms involved in each of the contacts you wish to calculate=565,1762 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=0.2 D_0=0.4828} WEIGHT153A weight value for a given contact, by default is 1=0.00325733
   ATOMS154the atoms involved in each of the contacts you wish to calculate=567,1764 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=0.2 D_0=0.5049} WEIGHT154A weight value for a given contact, by default is 1=0.00325733
   ATOMS155the atoms involved in each of the contacts you wish to calculate=578,1775 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=0.2 D_0=0.5034} WEIGHT155A weight value for a given contact, by default is 1=0.00325733
   ATOMS156the atoms involved in each of the contacts you wish to calculate=579,1776 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=0.2 D_0=0.5389} WEIGHT156A weight value for a given contact, by default is 1=0.00325733
   ATOMS157the atoms involved in each of the contacts you wish to calculate=580,1777 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=0.2 D_0=0.4930} WEIGHT157A weight value for a given contact, by default is 1=0.00325733
   ATOMS158the atoms involved in each of the contacts you wish to calculate=582,1779 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=0.2 D_0=0.5076} WEIGHT158A weight value for a given contact, by default is 1=0.00325733
   ATOMS159the atoms involved in each of the contacts you wish to calculate=600,1797 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=0.2 D_0=0.4912} WEIGHT159A weight value for a given contact, by default is 1=0.00325733
   ATOMS160the atoms involved in each of the contacts you wish to calculate=601,1798 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=0.2 D_0=0.4889} WEIGHT160A weight value for a given contact, by default is 1=0.00325733
   ATOMS161the atoms involved in each of the contacts you wish to calculate=602,1799 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=0.2 D_0=0.4843} WEIGHT161A weight value for a given contact, by default is 1=0.00325733
   ATOMS162the atoms involved in each of the contacts you wish to calculate=604,1801 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=0.2 D_0=0.4771} WEIGHT162A weight value for a given contact, by default is 1=0.00325733
   ATOMS163the atoms involved in each of the contacts you wish to calculate=619,1816 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=0.2 D_0=0.4798} WEIGHT163A weight value for a given contact, by default is 1=0.00325733
   ATOMS164the atoms involved in each of the contacts you wish to calculate=620,1817 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=0.2 D_0=0.4793} WEIGHT164A weight value for a given contact, by default is 1=0.00325733
   ATOMS165the atoms involved in each of the contacts you wish to calculate=621,1818 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=0.2 D_0=0.4820} WEIGHT165A weight value for a given contact, by default is 1=0.00325733
   ATOMS166the atoms involved in each of the contacts you wish to calculate=623,1820 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=0.2 D_0=0.4831} WEIGHT166A weight value for a given contact, by default is 1=0.00325733
   ATOMS167the atoms involved in each of the contacts you wish to calculate=631,1828 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=0.2 D_0=0.4865} WEIGHT167A weight value for a given contact, by default is 1=0.00325733
   ATOMS168the atoms involved in each of the contacts you wish to calculate=632,1829 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=0.2 D_0=0.4872} WEIGHT168A weight value for a given contact, by default is 1=0.00325733
   ATOMS169the atoms involved in each of the contacts you wish to calculate=633,1830 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=0.2 D_0=0.4880} WEIGHT169A weight value for a given contact, by default is 1=0.00325733
   ATOMS170the atoms involved in each of the contacts you wish to calculate=635,1832 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=0.2 D_0=0.4932} WEIGHT170A weight value for a given contact, by default is 1=0.00325733
   ATOMS171the atoms involved in each of the contacts you wish to calculate=651,1848 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=0.2 D_0=0.4860} WEIGHT171A weight value for a given contact, by default is 1=0.00325733
   ATOMS172the atoms involved in each of the contacts you wish to calculate=652,1849 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=0.2 D_0=0.4851} WEIGHT172A weight value for a given contact, by default is 1=0.00325733
   ATOMS173the atoms involved in each of the contacts you wish to calculate=653,1850 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=0.2 D_0=0.4812} WEIGHT173A weight value for a given contact, by default is 1=0.00325733
   ATOMS174the atoms involved in each of the contacts you wish to calculate=655,1852 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=0.2 D_0=0.4763} WEIGHT174A weight value for a given contact, by default is 1=0.00325733
   ATOMS175the atoms involved in each of the contacts you wish to calculate=673,1870 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=0.2 D_0=0.4871} WEIGHT175A weight value for a given contact, by default is 1=0.00325733
   ATOMS176the atoms involved in each of the contacts you wish to calculate=674,1871 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=0.2 D_0=0.4887} WEIGHT176A weight value for a given contact, by default is 1=0.00325733
   ATOMS177the atoms involved in each of the contacts you wish to calculate=675,1872 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=0.2 D_0=0.4944} WEIGHT177A weight value for a given contact, by default is 1=0.00325733
   ATOMS178the atoms involved in each of the contacts you wish to calculate=677,1874 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=0.2 D_0=0.5079} WEIGHT178A weight value for a given contact, by default is 1=0.00325733
   ATOMS179the atoms involved in each of the contacts you wish to calculate=685,1882 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=0.2 D_0=0.4834} WEIGHT179A weight value for a given contact, by default is 1=0.00325733
   ATOMS180the atoms involved in each of the contacts you wish to calculate=686,1883 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=0.2 D_0=0.4804} WEIGHT180A weight value for a given contact, by default is 1=0.00325733
   ATOMS181the atoms involved in each of the contacts you wish to calculate=687,1884 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=0.2 D_0=0.4701} WEIGHT181A weight value for a given contact, by default is 1=0.00325733
   ATOMS182the atoms involved in each of the contacts you wish to calculate=689,1886 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=0.2 D_0=0.4623} WEIGHT182A weight value for a given contact, by default is 1=0.00325733
   ATOMS183the atoms involved in each of the contacts you wish to calculate=709,1906 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=0.2 D_0=0.4466} WEIGHT183A weight value for a given contact, by default is 1=0.00325733
   ATOMS184the atoms involved in each of the contacts you wish to calculate=710,1907 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=0.2 D_0=0.4321} WEIGHT184A weight value for a given contact, by default is 1=0.00325733
   ATOMS185the atoms involved in each of the contacts you wish to calculate=711,1908 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=0.2 D_0=0.4565} WEIGHT185A weight value for a given contact, by default is 1=0.00325733
   ATOMS186the atoms involved in each of the contacts you wish to calculate=713,1910 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=0.2 D_0=0.4668} WEIGHT186A weight value for a given contact, by default is 1=0.00325733
   ATOMS187the atoms involved in each of the contacts you wish to calculate=725,1922 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=0.2 D_0=0.4820} WEIGHT187A weight value for a given contact, by default is 1=0.00325733
   ATOMS188the atoms involved in each of the contacts you wish to calculate=726,1923 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=0.2 D_0=0.4847} WEIGHT188A weight value for a given contact, by default is 1=0.00325733
   ATOMS189the atoms involved in each of the contacts you wish to calculate=727,1924 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=0.2 D_0=0.4947} WEIGHT189A weight value for a given contact, by default is 1=0.00325733
   ATOMS190the atoms involved in each of the contacts you wish to calculate=729,1926 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=0.2 D_0=0.5097} WEIGHT190A weight value for a given contact, by default is 1=0.00325733
   ATOMS191the atoms involved in each of the contacts you wish to calculate=742,1939 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=0.2 D_0=0.4986} WEIGHT191A weight value for a given contact, by default is 1=0.00325733
   ATOMS192the atoms involved in each of the contacts you wish to calculate=743,1940 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=0.2 D_0=0.4979} WEIGHT192A weight value for a given contact, by default is 1=0.00325733
   ATOMS193the atoms involved in each of the contacts you wish to calculate=744,1941 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=0.2 D_0=0.4900} WEIGHT193A weight value for a given contact, by default is 1=0.00325733
   ATOMS194the atoms involved in each of the contacts you wish to calculate=746,1943 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=0.2 D_0=0.4758} WEIGHT194A weight value for a given contact, by default is 1=0.00325733
   ATOMS195the atoms involved in each of the contacts you wish to calculate=753,1950 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=0.2 D_0=0.4774} WEIGHT195A weight value for a given contact, by default is 1=0.00325733
   ATOMS196the atoms involved in each of the contacts you wish to calculate=754,1951 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=0.2 D_0=0.4786} WEIGHT196A weight value for a given contact, by default is 1=0.00325733
   ATOMS197the atoms involved in each of the contacts you wish to calculate=755,1952 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=0.2 D_0=0.4771} WEIGHT197A weight value for a given contact, by default is 1=0.00325733
   ATOMS198the atoms involved in each of the contacts you wish to calculate=757,1954 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=0.2 D_0=0.4814} WEIGHT198A weight value for a given contact, by default is 1=0.00325733
   ATOMS199the atoms involved in each of the contacts you wish to calculate=775,1972 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=0.2 D_0=0.4796} WEIGHT199A weight value for a given contact, by default is 1=0.00325733
   ATOMS200the atoms involved in each of the contacts you wish to calculate=776,1973 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=0.2 D_0=0.4785} WEIGHT200A weight value for a given contact, by default is 1=0.00325733
   ATOMS201the atoms involved in each of the contacts you wish to calculate=777,1974 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=0.2 D_0=0.4766} WEIGHT201A weight value for a given contact, by default is 1=0.00325733
   ATOMS202the atoms involved in each of the contacts you wish to calculate=779,1976 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=0.2 D_0=0.4721} WEIGHT202A weight value for a given contact, by default is 1=0.00325733
   ATOMS203the atoms involved in each of the contacts you wish to calculate=794,1991 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=0.2 D_0=0.4827} WEIGHT203A weight value for a given contact, by default is 1=0.00325733
   ATOMS204the atoms involved in each of the contacts you wish to calculate=795,1992 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=0.2 D_0=0.5047} WEIGHT204A weight value for a given contact, by default is 1=0.00325733
   ATOMS205the atoms involved in each of the contacts you wish to calculate=796,1993 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=0.2 D_0=0.4824} WEIGHT205A weight value for a given contact, by default is 1=0.00325733
   ATOMS206the atoms involved in each of the contacts you wish to calculate=798,1995 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=0.2 D_0=0.5007} WEIGHT206A weight value for a given contact, by default is 1=0.00325733
   ATOMS207the atoms involved in each of the contacts you wish to calculate=801,1998 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=0.2 D_0=0.4849} WEIGHT207A weight value for a given contact, by default is 1=0.00325733
   ATOMS208the atoms involved in each of the contacts you wish to calculate=802,1999 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=0.2 D_0=0.4820} WEIGHT208A weight value for a given contact, by default is 1=0.00325733
   ATOMS209the atoms involved in each of the contacts you wish to calculate=803,2000 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=0.2 D_0=0.4800} WEIGHT209A weight value for a given contact, by default is 1=0.00325733
   ATOMS210the atoms involved in each of the contacts you wish to calculate=805,2002 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=0.2 D_0=0.4678} WEIGHT210A weight value for a given contact, by default is 1=0.00325733
   ATOMS211the atoms involved in each of the contacts you wish to calculate=812,2009 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=0.2 D_0=0.4765} WEIGHT211A weight value for a given contact, by default is 1=0.00325733
   ATOMS212the atoms involved in each of the contacts you wish to calculate=813,2010 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=0.2 D_0=0.4760} WEIGHT212A weight value for a given contact, by default is 1=0.00325733
   ATOMS213the atoms involved in each of the contacts you wish to calculate=814,2011 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=0.2 D_0=0.4864} WEIGHT213A weight value for a given contact, by default is 1=0.00325733
   ATOMS214the atoms involved in each of the contacts you wish to calculate=816,2013 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=0.2 D_0=0.4981} WEIGHT214A weight value for a given contact, by default is 1=0.00325733
   ATOMS215the atoms involved in each of the contacts you wish to calculate=831,2028 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=0.2 D_0=0.5164} WEIGHT215A weight value for a given contact, by default is 1=0.00325733
   ATOMS216the atoms involved in each of the contacts you wish to calculate=832,2029 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=0.2 D_0=0.5605} WEIGHT216A weight value for a given contact, by default is 1=0.00325733
   ATOMS217the atoms involved in each of the contacts you wish to calculate=833,2030 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=0.2 D_0=0.4869} WEIGHT217A weight value for a given contact, by default is 1=0.00325733
   ATOMS218the atoms involved in each of the contacts you wish to calculate=835,2032 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=0.2 D_0=0.4919} WEIGHT218A weight value for a given contact, by default is 1=0.00325733
   ATOMS219the atoms involved in each of the contacts you wish to calculate=843,2040 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=0.2 D_0=0.4837} WEIGHT219A weight value for a given contact, by default is 1=0.00325733
   ATOMS220the atoms involved in each of the contacts you wish to calculate=844,2041 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=0.2 D_0=0.4751} WEIGHT220A weight value for a given contact, by default is 1=0.00325733
   ATOMS221the atoms involved in each of the contacts you wish to calculate=845,2042 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=0.2 D_0=0.4899} WEIGHT221A weight value for a given contact, by default is 1=0.00325733
   ATOMS222the atoms involved in each of the contacts you wish to calculate=847,2044 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=0.2 D_0=0.4815} WEIGHT222A weight value for a given contact, by default is 1=0.00325733
   ATOMS223the atoms involved in each of the contacts you wish to calculate=857,2054 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=0.2 D_0=0.4754} WEIGHT223A weight value for a given contact, by default is 1=0.00325733
   ATOMS224the atoms involved in each of the contacts you wish to calculate=858,2055 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=0.2 D_0=0.4776} WEIGHT224A weight value for a given contact, by default is 1=0.00325733
   ATOMS225the atoms involved in each of the contacts you wish to calculate=859,2056 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=0.2 D_0=0.4720} WEIGHT225A weight value for a given contact, by default is 1=0.00325733
   ATOMS226the atoms involved in each of the contacts you wish to calculate=861,2058 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=0.2 D_0=0.4693} WEIGHT226A weight value for a given contact, by default is 1=0.00325733
   ATOMS227the atoms involved in each of the contacts you wish to calculate=876,2073 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=0.2 D_0=0.4713} WEIGHT227A weight value for a given contact, by default is 1=0.00325733
   ATOMS228the atoms involved in each of the contacts you wish to calculate=877,2074 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=0.2 D_0=0.4746} WEIGHT228A weight value for a given contact, by default is 1=0.00325733
   ATOMS229the atoms involved in each of the contacts you wish to calculate=878,2075 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=0.2 D_0=0.4730} WEIGHT229A weight value for a given contact, by default is 1=0.00325733
   ATOMS230the atoms involved in each of the contacts you wish to calculate=880,2077 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=0.2 D_0=0.4881} WEIGHT230A weight value for a given contact, by default is 1=0.00325733
   ATOMS231the atoms involved in each of the contacts you wish to calculate=890,2087 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=0.2 D_0=0.4834} WEIGHT231A weight value for a given contact, by default is 1=0.00325733
   ATOMS232the atoms involved in each of the contacts you wish to calculate=891,2088 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=0.2 D_0=0.4859} WEIGHT232A weight value for a given contact, by default is 1=0.00325733
   ATOMS233the atoms involved in each of the contacts you wish to calculate=892,2089 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=0.2 D_0=0.4824} WEIGHT233A weight value for a given contact, by default is 1=0.00325733
   ATOMS234the atoms involved in each of the contacts you wish to calculate=894,2091 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=0.2 D_0=0.4860} WEIGHT234A weight value for a given contact, by default is 1=0.00325733
   ATOMS235the atoms involved in each of the contacts you wish to calculate=907,2104 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=0.2 D_0=0.4895} WEIGHT235A weight value for a given contact, by default is 1=0.00325733
   ATOMS236the atoms involved in each of the contacts you wish to calculate=908,2105 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=0.2 D_0=0.4905} WEIGHT236A weight value for a given contact, by default is 1=0.00325733
   ATOMS237the atoms involved in each of the contacts you wish to calculate=909,2106 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=0.2 D_0=0.4928} WEIGHT237A weight value for a given contact, by default is 1=0.00325733
   ATOMS238the atoms involved in each of the contacts you wish to calculate=911,2108 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=0.2 D_0=0.4979} WEIGHT238A weight value for a given contact, by default is 1=0.00325733
   ATOMS239the atoms involved in each of the contacts you wish to calculate=923,2120 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=0.2 D_0=0.5055} WEIGHT239A weight value for a given contact, by default is 1=0.00325733
   ATOMS240the atoms involved in each of the contacts you wish to calculate=924,2121 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=0.2 D_0=0.5210} WEIGHT240A weight value for a given contact, by default is 1=0.00325733
   ATOMS241the atoms involved in each of the contacts you wish to calculate=925,2122 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=0.2 D_0=0.4909} WEIGHT241A weight value for a given contact, by default is 1=0.00325733
   ATOMS242the atoms involved in each of the contacts you wish to calculate=929,2126 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=0.2 D_0=0.5056} WEIGHT242A weight value for a given contact, by default is 1=0.00325733
   ATOMS243the atoms involved in each of the contacts you wish to calculate=937,2134 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=0.2 D_0=0.4884} WEIGHT243A weight value for a given contact, by default is 1=0.00325733
   ATOMS244the atoms involved in each of the contacts you wish to calculate=938,2135 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=0.2 D_0=0.4869} WEIGHT244A weight value for a given contact, by default is 1=0.00325733
   ATOMS245the atoms involved in each of the contacts you wish to calculate=939,2136 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=0.2 D_0=0.4792} WEIGHT245A weight value for a given contact, by default is 1=0.00325733
   ATOMS246the atoms involved in each of the contacts you wish to calculate=941,2138 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=0.2 D_0=0.4695} WEIGHT246A weight value for a given contact, by default is 1=0.00325733
   ATOMS247the atoms involved in each of the contacts you wish to calculate=944,2141 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=0.2 D_0=0.4685} WEIGHT247A weight value for a given contact, by default is 1=0.00325733
   ATOMS248the atoms involved in each of the contacts you wish to calculate=945,2142 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=0.2 D_0=0.4380} WEIGHT248A weight value for a given contact, by default is 1=0.00325733
   ATOMS249the atoms involved in each of the contacts you wish to calculate=946,2143 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=0.2 D_0=0.5092} WEIGHT249A weight value for a given contact, by default is 1=0.00325733
   ATOMS250the atoms involved in each of the contacts you wish to calculate=948,2145 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=0.2 D_0=0.5192} WEIGHT250A weight value for a given contact, by default is 1=0.00325733
   ATOMS251the atoms involved in each of the contacts you wish to calculate=951,2148 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=0.2 D_0=0.4897} WEIGHT251A weight value for a given contact, by default is 1=0.00325733
   ATOMS252the atoms involved in each of the contacts you wish to calculate=952,2149 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=0.2 D_0=0.4837} WEIGHT252A weight value for a given contact, by default is 1=0.00325733
   ATOMS253the atoms involved in each of the contacts you wish to calculate=953,2150 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=0.2 D_0=0.4756} WEIGHT253A weight value for a given contact, by default is 1=0.00325733
   ATOMS254the atoms involved in each of the contacts you wish to calculate=955,2152 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=0.2 D_0=0.4518} WEIGHT254A weight value for a given contact, by default is 1=0.00325733
   ATOMS255the atoms involved in each of the contacts you wish to calculate=958,2155 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=0.2 D_0=0.4606} WEIGHT255A weight value for a given contact, by default is 1=0.00325733
   ATOMS256the atoms involved in each of the contacts you wish to calculate=959,2156 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=0.2 D_0=0.4652} WEIGHT256A weight value for a given contact, by default is 1=0.00325733
   ATOMS257the atoms involved in each of the contacts you wish to calculate=960,2157 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=0.2 D_0=0.4632} WEIGHT257A weight value for a given contact, by default is 1=0.00325733
   ATOMS258the atoms involved in each of the contacts you wish to calculate=962,2159 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=0.2 D_0=0.4690} WEIGHT258A weight value for a given contact, by default is 1=0.00325733
   ATOMS259the atoms involved in each of the contacts you wish to calculate=972,2169 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=0.2 D_0=0.4797} WEIGHT259A weight value for a given contact, by default is 1=0.00325733
   ATOMS260the atoms involved in each of the contacts you wish to calculate=973,2170 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=0.2 D_0=0.4842} WEIGHT260A weight value for a given contact, by default is 1=0.00325733
   ATOMS261the atoms involved in each of the contacts you wish to calculate=974,2171 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=0.2 D_0=0.4860} WEIGHT261A weight value for a given contact, by default is 1=0.00325733
   ATOMS262the atoms involved in each of the contacts you wish to calculate=976,2173 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=0.2 D_0=0.4966} WEIGHT262A weight value for a given contact, by default is 1=0.00325733
   ATOMS263the atoms involved in each of the contacts you wish to calculate=994,2191 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=0.2 D_0=0.4908} WEIGHT263A weight value for a given contact, by default is 1=0.00325733
   ATOMS264the atoms involved in each of the contacts you wish to calculate=995,2192 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=0.2 D_0=0.4907} WEIGHT264A weight value for a given contact, by default is 1=0.00325733
   ATOMS265the atoms involved in each of the contacts you wish to calculate=996,2193 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=0.2 D_0=0.4887} WEIGHT265A weight value for a given contact, by default is 1=0.00325733
   ATOMS266the atoms involved in each of the contacts you wish to calculate=998,2195 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=0.2 D_0=0.4886} WEIGHT266A weight value for a given contact, by default is 1=0.00325733
   ATOMS267the atoms involved in each of the contacts you wish to calculate=1016,2213 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=0.2 D_0=0.4834} WEIGHT267A weight value for a given contact, by default is 1=0.00325733
   ATOMS268the atoms involved in each of the contacts you wish to calculate=1017,2214 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=0.2 D_0=0.4846} WEIGHT268A weight value for a given contact, by default is 1=0.00325733
   ATOMS269the atoms involved in each of the contacts you wish to calculate=1018,2215 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=0.2 D_0=0.4809} WEIGHT269A weight value for a given contact, by default is 1=0.00325733
   ATOMS270the atoms involved in each of the contacts you wish to calculate=1020,2217 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=0.2 D_0=0.4774} WEIGHT270A weight value for a given contact, by default is 1=0.00325733
   ATOMS271the atoms involved in each of the contacts you wish to calculate=1035,2232 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=0.2 D_0=0.4784} WEIGHT271A weight value for a given contact, by default is 1=0.00325733
   ATOMS272the atoms involved in each of the contacts you wish to calculate=1036,2233 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=0.2 D_0=0.4829} WEIGHT272A weight value for a given contact, by default is 1=0.00325733
   ATOMS273the atoms involved in each of the contacts you wish to calculate=1037,2234 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=0.2 D_0=0.4772} WEIGHT273A weight value for a given contact, by default is 1=0.00325733
   ATOMS274the atoms involved in each of the contacts you wish to calculate=1039,2236 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=0.2 D_0=0.4736} WEIGHT274A weight value for a given contact, by default is 1=0.00325733
   ATOMS275the atoms involved in each of the contacts you wish to calculate=1050,2247 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=0.2 D_0=0.4812} WEIGHT275A weight value for a given contact, by default is 1=0.00325733
   ATOMS276the atoms involved in each of the contacts you wish to calculate=1051,2248 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=0.2 D_0=0.4850} WEIGHT276A weight value for a given contact, by default is 1=0.00325733
   ATOMS277the atoms involved in each of the contacts you wish to calculate=1052,2249 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=0.2 D_0=0.4883} WEIGHT277A weight value for a given contact, by default is 1=0.00325733
   ATOMS278the atoms involved in each of the contacts you wish to calculate=1054,2251 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=0.2 D_0=0.4985} WEIGHT278A weight value for a given contact, by default is 1=0.00325733
   ATOMS279the atoms involved in each of the contacts you wish to calculate=1064,2261 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=0.2 D_0=0.4869} WEIGHT279A weight value for a given contact, by default is 1=0.00325733
   ATOMS280the atoms involved in each of the contacts you wish to calculate=1065,2262 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=0.2 D_0=0.4878} WEIGHT280A weight value for a given contact, by default is 1=0.00325733
   ATOMS281the atoms involved in each of the contacts you wish to calculate=1066,2263 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=0.2 D_0=0.4833} WEIGHT281A weight value for a given contact, by default is 1=0.00325733
   ATOMS282the atoms involved in each of the contacts you wish to calculate=1068,2265 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=0.2 D_0=0.4793} WEIGHT282A weight value for a given contact, by default is 1=0.00325733
   ATOMS283the atoms involved in each of the contacts you wish to calculate=1081,2278 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=0.2 D_0=0.4770} WEIGHT283A weight value for a given contact, by default is 1=0.00325733
   ATOMS284the atoms involved in each of the contacts you wish to calculate=1082,2279 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=0.2 D_0=0.4776} WEIGHT284A weight value for a given contact, by default is 1=0.00325733
   ATOMS285the atoms involved in each of the contacts you wish to calculate=1083,2280 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=0.2 D_0=0.4803} WEIGHT285A weight value for a given contact, by default is 1=0.00325733
   ATOMS286the atoms involved in each of the contacts you wish to calculate=1085,2282 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=0.2 D_0=0.4880} WEIGHT286A weight value for a given contact, by default is 1=0.00325733
   ATOMS287the atoms involved in each of the contacts you wish to calculate=1103,2300 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=0.2 D_0=0.4851} WEIGHT287A weight value for a given contact, by default is 1=0.00325733
   ATOMS288the atoms involved in each of the contacts you wish to calculate=1104,2301 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=0.2 D_0=0.4852} WEIGHT288A weight value for a given contact, by default is 1=0.00325733
   ATOMS289the atoms involved in each of the contacts you wish to calculate=1105,2302 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=0.2 D_0=0.4852} WEIGHT289A weight value for a given contact, by default is 1=0.00325733
   ATOMS290the atoms involved in each of the contacts you wish to calculate=1107,2304 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=0.2 D_0=0.4921} WEIGHT290A weight value for a given contact, by default is 1=0.00325733
   ATOMS291the atoms involved in each of the contacts you wish to calculate=1122,2319 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=0.2 D_0=0.4886} WEIGHT291A weight value for a given contact, by default is 1=0.00325733
   ATOMS292the atoms involved in each of the contacts you wish to calculate=1123,2320 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=0.2 D_0=0.4852} WEIGHT292A weight value for a given contact, by default is 1=0.00325733
   ATOMS293the atoms involved in each of the contacts you wish to calculate=1124,2321 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=0.2 D_0=0.4932} WEIGHT293A weight value for a given contact, by default is 1=0.00325733
   ATOMS294the atoms involved in each of the contacts you wish to calculate=1126,2323 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=0.2 D_0=0.4992} WEIGHT294A weight value for a given contact, by default is 1=0.00325733
   ATOMS295the atoms involved in each of the contacts you wish to calculate=1136,2333 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=0.2 D_0=0.4858} WEIGHT295A weight value for a given contact, by default is 1=0.00325733
   ATOMS296the atoms involved in each of the contacts you wish to calculate=1137,2334 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=0.2 D_0=0.4883} WEIGHT296A weight value for a given contact, by default is 1=0.00325733
   ATOMS297the atoms involved in each of the contacts you wish to calculate=1138,2335 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=0.2 D_0=0.4737} WEIGHT297A weight value for a given contact, by default is 1=0.00325733
   ATOMS298the atoms involved in each of the contacts you wish to calculate=1140,2337 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=0.2 D_0=0.4688} WEIGHT298A weight value for a given contact, by default is 1=0.00325733
   ATOMS299the atoms involved in each of the contacts you wish to calculate=1156,2353 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=0.2 D_0=0.4706} WEIGHT299A weight value for a given contact, by default is 1=0.00325733
   ATOMS300the atoms involved in each of the contacts you wish to calculate=1157,2354 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=0.2 D_0=0.4759} WEIGHT300A weight value for a given contact, by default is 1=0.00325733
   ATOMS301the atoms involved in each of the contacts you wish to calculate=1158,2355 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=0.2 D_0=0.4695} WEIGHT301A weight value for a given contact, by default is 1=0.00325733
   ATOMS302the atoms involved in each of the contacts you wish to calculate=1160,2357 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=0.2 D_0=0.4783} WEIGHT302A weight value for a given contact, by default is 1=0.00325733
   ATOMS303the atoms involved in each of the contacts you wish to calculate=1180,2377 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=0.2 D_0=0.5109} WEIGHT303A weight value for a given contact, by default is 1=0.00325733
   ATOMS304the atoms involved in each of the contacts you wish to calculate=1181,2378 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=0.2 D_0=0.5024} WEIGHT304A weight value for a given contact, by default is 1=0.00325733
   ATOMS305the atoms involved in each of the contacts you wish to calculate=1182,2379 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=0.2 D_0=0.5647} WEIGHT305A weight value for a given contact, by default is 1=0.00325733
   ATOMS306the atoms involved in each of the contacts you wish to calculate=1184,2381 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=0.2 D_0=0.6408} WEIGHT306A weight value for a given contact, by default is 1=0.00325733
   ATOMS307the atoms involved in each of the contacts you wish to calculate=1195,2392 SWITCH307The switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.2 D_0=0.7373} WEIGHT307A weight value for a given contact, by default is 1=0.00325733

   SUM calculate the sum of all the contacts in the input
...


#restraintsum: MOVINGRESTRAINT ARG=sumrmsdint AT0=1.367658 STEP0=0 KAPPA0=80000.0 AT1=0.0 STEP1=1000000 KAPPA1=80000.0 AT2=0.0 STEP2=3000000 KAPPA2=80000.0
#restraintb: RESTRAINT ARG=rmsdb KAPPA=80000.0 AT=0.0

#restrainta: RESTRAINT ARG=sumrmsdint KAPPA=100000.0 AT=0.0
The CONTACTMAP action with label cmap calculates the following quantities:
 Quantity   
 Description  
cmap.contact
By not using SUM or CMDIST each contact will be stored in a component
cmap.value
the sum of all the switching function on all the distancesrestraintb: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=cmap KAPPA specifies that the restraint is harmonic and what the values of the force constants on each of the variables are=50000.0 ATthe position of the restraint=1.0
#metad: METAD ARG=cmap PACE=1000 HEIGHT=2.577483412 SIGMA=0.0005 FILE=HILLS GRID_MIN=0.0 GRID_MAX=1.1 BIASFACTOR=3.0 TEMP=310.0 RESTART=YES
#metad: METAD ARG=sumrmsdint PACE=1000 HEIGHT=2.577483412 SIGMA=0.1 FILE=HILLS GRID_MIN=0.0 GRID_MAX=14.0 BIASFACTOR=16.0 TEMP=310.0
The RESTRAINT action with label restraintb calculates the following quantities:
 Quantity   
 Description  
restraintb.bias
the instantaneous value of the bias potential
restraintb.force2
the instantaneous value of the squared force due to this bias potentialmetad: METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=sumrmsdint PACEthe frequency for hill addition=625 HEIGHTthe heights of the Gaussian hills=2.577483412 SIGMAthe widths of the Gaussian hills=0.05 FILE a file in which the list of added hills is stored=HILLS GRID_MINthe lower bounds for the grid=0.0 GRID_MAXthe upper bounds for the grid=14.0 BIASFACTORuse well tempered metadynamics and use this bias factor=2.0 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=310.0 RESTARTallows per-action setting of restart (YES/NO/AUTO)=YES


The METAD action with label metad calculates the following quantities:
 Quantity   
 Description  
metad.bias
the instantaneous value of the bias potentialPRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=rmsda,rmsdb,sumrmsdint,cmap,restraintb.bias,metad.bias FILEthe name of the file on which to output these quantities=COLVAR STRIDE the frequency with which the quantities of interest should be output=625
FLUSHThis command instructs plumed to flush all the open files with a user specified frequency. More details STRIDEthe frequency with which all the open files should be flushed=500