Project ID: plumID:25.023
Source: tetramer/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 rmsda: 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 rmsdb: 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 rmsdc: 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_c.pdb TYPE the manner in which RMSD alignment is performed=OPTIMAL rmsdd: 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_d.pdb TYPE the manner in which RMSD alignment is performed=OPTIMAL sumrmsdint: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=rmsda,rmsdb,rmsdc,rmsdd VARthe names to give each of the arguments in the function=ax,bx,cx,dx FUNCthe function you wish to evaluate=sqrt(ax*ax+bx*bx+cx*cx+dx*dx) PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO cmapab: 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=0.4937} 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=0.5040} 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=0.5065} 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=0.5204} 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=0.4973} 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=0.4934} 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=0.4865} 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=0.4894} 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=0.4802} 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=0.4769} 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=0.4796} 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=0.4801} 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=0.4798} 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=0.4796} 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=0.4790} 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=0.4787} 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=0.4772} 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=0.4753} 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=0.4776} 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=0.4793} 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=0.4797} 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=0.4805} 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=0.4818} 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=0.4819} 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=0.4847} 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=0.4904} 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=0.4957} 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=0.4976} 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=0.4993} 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=0.5050} 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=0.4997} 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=0.4959} 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=0.4993} 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=0.4988} 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=0.4839} 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=0.4847} 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=0.4775} 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=0.4731} 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=0.4753} 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=0.4931} 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=0.4668} 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=0.4738} 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=0.4729} 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=0.4811} 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=0.4695} 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=0.4644} 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=0.4376} 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=0.4433} 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=0.4135} 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=0.4296} 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=0.4461} 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=0.4642} 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=0.4426} 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=0.4799} 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=0.4832} 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=0.4844} 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=0.4861} 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=0.4862} 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=0.4779} 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=0.4764} 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=0.4711} 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=0.4576} 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=0.4728} 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=0.4790} 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=0.4816} 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=0.4915} 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=0.4949} 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=0.4939} 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=0.5007} 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=0.5105} 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=0.4884} 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=0.4865} 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=0.4742} 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=0.4521} 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=0.4706} 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=0.4800} 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=0.4787} 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=0.4985} 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=0.4800} 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=0.4443} 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=0.5134} 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=0.4980} 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=0.5040} 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=0.5052} 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=0.5076} 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=0.5144} 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=0.5033} 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=0.5240} 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=0.4713} 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=0.4547} 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=0.4726} 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=0.4830} 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=0.4760} 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=0.4867} 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=0.4852} 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=0.4853} 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=0.4848} 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=0.4829} 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=0.4825} 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=0.4819} 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=0.4813} 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=0.4787} 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=0.4845} 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=0.4871} 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=0.4900} 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=0.5011} 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=0.4937} 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=0.4924} 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=0.4899} 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=0.4890} 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=0.4908} 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=0.5039} 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=0.4775} 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=0.4929} 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=0.4789} 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=0.4839} 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=0.4669} 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=0.4697} 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=0.4917} 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=0.5001} 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=0.5006} 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=0.5212} 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=0.5019} 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=0.4609} 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=0.5348} 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=0.5166} 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=0.5062} 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=0.5141} 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=0.4922} 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=0.4823} 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=0.4788} 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=0.4786} 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=0.4740} 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=0.4665} 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=0.4880} 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=0.4939} 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=0.5043} 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=0.5335} 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=0.4998} 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=0.4908} 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=0.4870} 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=0.4708} 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=0.4779} 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=0.4809} 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=0.4817} 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=0.4829} 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=0.4881} 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=0.4988} 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=0.4824} 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=0.4904} 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=0.4785} 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=0.4796} 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=0.4705} 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=0.4710} 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=0.4854} 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=0.4915} 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=0.4913} 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=0.5043} 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=0.4938} 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=0.4910} 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=0.4896} 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=0.4848} 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=0.4824} 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=0.4833} 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=0.4829} 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=0.4811} 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=0.4836} 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=0.4834} 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=0.4848} 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=0.4860} 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=0.4832} 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=0.4821} 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=0.4800} 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=0.4767} 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=0.4819} 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=0.4827} 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=0.4842} 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=0.4850} 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=0.4824} 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=0.4787} 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=0.4883} 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=0.4964} 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=0.4886} 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=0.4859} 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=0.4918} 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=0.4870} 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=0.4832} 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=0.4825} 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=0.4801} 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=0.4784} 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=0.4786} 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=0.4786} 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=0.4784} 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=0.4779} 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=0.4832} 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=0.4840} 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=0.4879} 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=0.4935} 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=0.4875} 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=0.4854} 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=0.4822} 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=0.4718} 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=0.4729} 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=0.4741} 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=0.4715} 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=0.4668} 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=0.4632} 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=0.4911} 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=0.4484} 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=0.4535} 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=0.4646} 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=0.4766} 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=0.4734} 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=0.4777} 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=0.4785} 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=0.4681} 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=0.4907} 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=0.4830} 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=0.4736} 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=0.4592} 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=0.4848} 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=0.4807} 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=0.4786} 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=0.4811} 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=0.4754} 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=0.4689} 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=0.4771} 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=0.4774} 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=0.4833} 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=0.4923} 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=0.4883} 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=0.4897} 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=0.4863} 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=0.4870} 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=0.4897} 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=0.4937} 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=0.4984} 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=0.5068} 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=0.5039} 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=0.5154} 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=0.5181} 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=0.5123} 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=0.5115} 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=0.5093} 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=0.5083} 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=0.5053} 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=0.5033} 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=0.5024} 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=0.5010} 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=0.4889} 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=0.4861} 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=0.4796} 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=0.4665} 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=0.4456} 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=0.4036} 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=0.4765} 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=0.4730} 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=0.4813} 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=0.4862} 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=0.4867} 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=0.4943} 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=0.4930} 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=0.4918} 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=0.4924} 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=0.4933} 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=0.4895} 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=0.4886} 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=0.4864} 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=0.4814} 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=0.4880} 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=0.4921} 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=0.4898} 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=0.4959} 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=0.4846} 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=0.4827} 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=0.4799} 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=0.4738} 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=0.4757} 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=0.4763} 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=0.4816} 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=0.4896} 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=0.4937} 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=0.4966} 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=0.4950} 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=0.5012} 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=0.4928} 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=0.4901} 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=0.4896} 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=0.4887} 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=0.4913} 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=0.4923} 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=0.4939} 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=0.4987} 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=0.4956} 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=0.4960} 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=0.4944} 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=0.4918} 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=0.4937} 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=0.4980} 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=0.4927} 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=0.4915} 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=0.4958} 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=0.4816} 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=0.5187} 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=0.5443} 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=0.5918} WEIGHT307A weight value for a given contact, by default is 1=0.00325733 SUM calculate the sum of all the contacts in the input ...
cmapbc: 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=1198,2395 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=0.6192} 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=1202,2399 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=0.4923} 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=1205,2402 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=0.4848} 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=1206,2403 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=0.4866} 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=1207,2404 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=0.4762} 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=1209,2406 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=0.4674} 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=1216,2413 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=0.4725} 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=1217,2414 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=0.4733} 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=1218,2415 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=0.4787} 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=1220,2417 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=0.4844} 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=1232,2429 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=0.4824} 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=1233,2430 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=0.4821} 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=1234,2431 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=0.4814} 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=1236,2433 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=0.4803} 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=1249,2446 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=0.4781} 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=1250,2447 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=0.4782} 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=1251,2448 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=0.4783} 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=1253,2450 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=0.4766} 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=1268,2465 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=0.4781} 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=1269,2466 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=0.4780} 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=1270,2467 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=0.4774} 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=1272,2469 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=0.4792} 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=1284,2481 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=0.4809} 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=1285,2482 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=0.4816} 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=1286,2483 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=0.4826} 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=1288,2485 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=0.4840} 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=1305,2502 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=0.4966} 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=1306,2503 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=0.4986} 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=1307,2504 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=0.5035} 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=1309,2506 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=0.5156} 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=1327,2524 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=0.5122} 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=1328,2525 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=0.5216} 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=1329,2526 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=0.5006} 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=1333,2530 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=0.5084} 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=1341,2538 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=0.5219} 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=1342,2539 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=0.5213} 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=1343,2540 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=0.5324} 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=1345,2542 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=0.5482} 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=1357,2554 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=0.5677} 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=1358,2555 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=0.6051} 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=1359,2556 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=0.5457} 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=1361,2558 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=0.5374} 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=1369,2566 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=0.5242} 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=1370,2567 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=0.5146} 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=1371,2568 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=0.5282} 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=1373,2570 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=0.5407} 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=1388,2585 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=0.5227} 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=1389,2586 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=0.4959} 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=1390,2587 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=0.5389} 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=1392,2589 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=0.5162} 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=1399,2596 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=0.5037} 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=1400,2597 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=0.4979} 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=1401,2598 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=0.5011} 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=1403,2600 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=0.4949} 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=1421,2618 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=0.4903} 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=1422,2619 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=0.4883} 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=1423,2620 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=0.4866} 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=1425,2622 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=0.4821} 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=1437,2634 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=0.4779} 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=1438,2635 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=0.4789} 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=1439,2636 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=0.4727} 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=1441,2638 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=0.4644} 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=1451,2648 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=0.4747} 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=1452,2649 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=0.4778} 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=1453,2650 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=0.4783} 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=1455,2652 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=0.4824} 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=1462,2659 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=0.4820} 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=1463,2660 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=0.4820} 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=1464,2661 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=0.4824} 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=1466,2663 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=0.4834} 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=1484,2681 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=0.4793} 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=1485,2682 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=0.4789} 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=1486,2683 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=0.4757} 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=1488,2685 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=0.4711} 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=1495,2692 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=0.4712} 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=1496,2693 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=0.4799} 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=1497,2694 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=0.4628} 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=1499,2696 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=0.4558} 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=1502,2699 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=0.4564} 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=1503,2700 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=0.4486} 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=1504,2701 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=0.4652} 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=1506,2703 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=0.4664} 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=1513,2710 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=0.4798} 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=1514,2711 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=0.4814} 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=1515,2712 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=0.4912} 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=1517,2714 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=0.5025} 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=1532,2729 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=0.4955} 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=1533,2730 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=0.4696} 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=1534,2731 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=0.5228} 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=1536,2733 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=0.5080} 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=1539,2736 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=0.4962} 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=1540,2737 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=0.4959} 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=1541,2738 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=0.4868} 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=1543,2740 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=0.4757} 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=1553,2750 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=0.4761} 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=1554,2751 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=0.4752} 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=1555,2752 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=0.4775} 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=1557,2754 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=0.4778} 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=1572,2769 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=0.4763} 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=1573,2770 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=0.4766} 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=1574,2771 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=0.4756} 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=1576,2773 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=0.4735} 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=1589,2786 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=0.4854} 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=1590,2787 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=0.4905} 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=1591,2788 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=0.4880} 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=1593,2790 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=0.4914} 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=1606,2803 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=0.4887} 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=1607,2804 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=0.4873} 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=1608,2805 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=0.4863} 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=1610,2807 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=0.4820} 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=1628,2825 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=0.4912} 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=1629,2826 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=0.4871} 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=1630,2827 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=0.5011} 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=1634,2831 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=0.4992} 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=1642,2839 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=0.4884} 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=1643,2840 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=0.4881} 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=1644,2841 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=0.4811} 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=1646,2843 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=0.4671} 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=1649,2846 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=0.4990} 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=1650,2847 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=0.5470} 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=1651,2848 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=0.4930} 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=1653,2850 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=0.5315} 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=1656,2853 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=0.5137} 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=1657,2854 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=0.5134} 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=1658,2855 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=0.5002} 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=1660,2857 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=0.4925} 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=1663,2860 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=0.4862} 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=1664,2861 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=0.4858} 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=1665,2862 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=0.4819} 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=1667,2864 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=0.4794} 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=1680,2877 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=0.4776} 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=1681,2878 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=0.4769} 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=1682,2879 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=0.4756} 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=1684,2881 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=0.4706} 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=1696,2893 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=0.4786} 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=1697,2894 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=0.4817} 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=1698,2895 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=0.4820} 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=1700,2897 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=0.4851} 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=1711,2908 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=0.4847} 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=1712,2909 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=0.4851} 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=1713,2910 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=0.4827} 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=1715,2912 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=0.4789} 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=1727,2924 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=0.4825} 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=1728,2925 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=0.4825} 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=1729,2926 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=0.4839} 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=1731,2928 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=0.4873} 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=1749,2946 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=0.4793} 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=1750,2947 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=0.4744} 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=1751,2948 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=0.4773} 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=1753,2950 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=0.4537} 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=1760,2957 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=0.4733} 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=1761,2958 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=0.4846} 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=1762,2959 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=0.4760} 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=1764,2961 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=0.4858} 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=1775,2972 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=0.4804} 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=1776,2973 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=0.4817} 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=1777,2974 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=0.4755} 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=1779,2976 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=0.4712} 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=1797,2994 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=0.4786} 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=1798,2995 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=0.4785} 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=1799,2996 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=0.4808} 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=1801,2998 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=0.4809} 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=1816,3013 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=0.4916} 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=1817,3014 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=0.4932} 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=1818,3015 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=0.4982} 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=1820,3017 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=0.5103} 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=1828,3025 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=0.5008} 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=1829,3026 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=0.4995} 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=1830,3027 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=0.4942} 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=1832,3029 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=0.4856} 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=1848,3045 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=0.4844} 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=1849,3046 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=0.4864} 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=1850,3047 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=0.4842} 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=1852,3049 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=0.4819} 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=1870,3067 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=0.4793} 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=1871,3068 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=0.4801} 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=1872,3069 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=0.4775} 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=1874,3071 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=0.4738} 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=1882,3079 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=0.4726} 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=1883,3080 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=0.4761} 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=1884,3081 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=0.4663} 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=1886,3083 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=0.4542} 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=1906,3103 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=0.4601} 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=1907,3104 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=0.4260} 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=1908,3105 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=0.5016} 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=1910,3107 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=0.4944} 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=1922,3119 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=0.4878} 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=1923,3120 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=0.4872} 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=1924,3121 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=0.4813} 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=1926,3123 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=0.4704} 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=1939,3136 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=0.4751} 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=1940,3137 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=0.4757} 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=1941,3138 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=0.4772} 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=1943,3140 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=0.4781} 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=1950,3147 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=0.4804} 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=1951,3148 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=0.4830} 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=1952,3149 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=0.4800} 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=1954,3151 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=0.4773} 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=1972,3169 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=0.4800} 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=1973,3170 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=0.4812} 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=1974,3171 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=0.4809} 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=1976,3173 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=0.4823} 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=1991,3188 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=0.4810} 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=1992,3189 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=0.4835} 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=1993,3190 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=0.4784} 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=1995,3192 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=0.4792} 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=1998,3195 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=0.4812} 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=1999,3196 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=0.4825} 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=2000,3197 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=0.4896} 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=2002,3199 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=0.4906} 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=2009,3206 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=0.4950} 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=2010,3207 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=0.4959} 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=2011,3208 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=0.4981} 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=2013,3210 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=0.5087} 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=2028,3225 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=0.5145} 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=2029,3226 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=0.5348} 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=2030,3227 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=0.4951} 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=2032,3229 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=0.4856} 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=2040,3237 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=0.4844} 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=2041,3238 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=0.4793} 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=2042,3239 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=0.4871} 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=2044,3241 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=0.4879} 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=2054,3251 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=0.4841} 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=2055,3252 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=0.4832} 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=2056,3253 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=0.4819} 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=2058,3255 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=0.4776} 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=2073,3270 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=0.4827} 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=2074,3271 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=0.4828} 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=2075,3272 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=0.4859} 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=2077,3274 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=0.4898} 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=2087,3284 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=0.4939} 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=2088,3285 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=0.4938} 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=2089,3286 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=0.4959} 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=2091,3288 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=0.5015} 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=2104,3301 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=0.4991} 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=2105,3302 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=0.5001} 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=2106,3303 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=0.4954} 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=2108,3305 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=0.4920} 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=2120,3317 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=0.4979} 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=2121,3318 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=0.4988} 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=2122,3319 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=0.5034} 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=2126,3323 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=0.5055} 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=2134,3331 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=0.5057} 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=2135,3332 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=0.5053} 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=2136,3333 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=0.5046} 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=2138,3335 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=0.5046} 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=2141,3338 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=0.4956} 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=2142,3339 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=0.4876} 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=2143,3340 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=0.4961} 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=2145,3342 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=0.4884} 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=2148,3345 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=0.4825} 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=2149,3346 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=0.4818} 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=2150,3347 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=0.4776} 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=2152,3349 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=0.4685} 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=2155,3352 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=0.4687} 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=2156,3353 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=0.4716} 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=2157,3354 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=0.4658} 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=2159,3356 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=0.4675} 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=2169,3366 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=0.4770} 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=2170,3367 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=0.4779} 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=2171,3368 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=0.4839} 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=2173,3370 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=0.4948} 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=2191,3388 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=0.4886} 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=2192,3389 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=0.4890} 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=2193,3390 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=0.4855} 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=2195,3392 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=0.4840} 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=2213,3410 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=0.4823} 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=2214,3411 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=0.4840} 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=2215,3412 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=0.4833} 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=2217,3414 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=0.4877} 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=2232,3429 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=0.4820} 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=2233,3430 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=0.4845} 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=2234,3431 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=0.4776} 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=2236,3433 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=0.4730} 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=2247,3444 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=0.4790} 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=2248,3445 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=0.4824} 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=2249,3446 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=0.4809} 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=2251,3448 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=0.4850} 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=2261,3458 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=0.4864} 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=2262,3459 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=0.4861} 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=2263,3460 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=0.4869} 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=2265,3462 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=0.4899} 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=2278,3475 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=0.4896} 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=2279,3476 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=0.4905} 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=2280,3477 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=0.4918} 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=2282,3479 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=0.4979} 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=2300,3497 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=0.4959} 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=2301,3498 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=0.4965} 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=2302,3499 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=0.4954} 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=2304,3501 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=0.4964} 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=2319,3516 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=0.4947} 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=2320,3517 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=0.4946} 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=2321,3518 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=0.4936} 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=2323,3520 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=0.4929} 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=2333,3530 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=0.4893} 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=2334,3531 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=0.4889} 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=2335,3532 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=0.4857} 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=2337,3534 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=0.4830} 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=2353,3550 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=0.4861} 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=2354,3551 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=0.4888} 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=2355,3552 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=0.4857} 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=2357,3554 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=0.4992} 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=2377,3574 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=0.5210} 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=2378,3575 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=0.5175} 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=2379,3576 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=0.5446} 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=2381,3578 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=0.5652} 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=2392,3589 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=0.5820} WEIGHT307A weight value for a given contact, by default is 1=0.00325733 SUM calculate the sum of all the contacts in the input ...
cmapcd: 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=2395,3592 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=0.4767} 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=2399,3596 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=0.4931} 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=2402,3599 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=0.4835} 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=2403,3600 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=0.4839} 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=2404,3601 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=0.4788} 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=2406,3603 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=0.4743} 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=2413,3610 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=0.4786} 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=2414,3611 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=0.4792} 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=2415,3612 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=0.4807} 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=2417,3614 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=0.4840} 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=2429,3626 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=0.4837} 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=2430,3627 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=0.4848} 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=2431,3628 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=0.4836} 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=2433,3630 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=0.4811} 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=2446,3643 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=0.4798} 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=2447,3644 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=0.4806} 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=2448,3645 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=0.4781} 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=2450,3647 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=0.4757} 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=2465,3662 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=0.4759} 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=2466,3663 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=0.4764} 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=2467,3664 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=0.4767} 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=2469,3666 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=0.4759} 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=2481,3678 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=0.4773} 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=2482,3679 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=0.4776} 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=2483,3680 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=0.4790} 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=2485,3682 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=0.4777} 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=2502,3699 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=0.4899} 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=2503,3700 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=0.4939} 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=2504,3701 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=0.5019} 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=2506,3703 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=0.5243} 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=2524,3721 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=0.5314} 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=2525,3722 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=0.5510} 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=2526,3723 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=0.5188} 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=2530,3727 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=0.5152} 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=2538,3735 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=0.5143} 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=2539,3736 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=0.5231} 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=2540,3737 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=0.5081} 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=2542,3739 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=0.4974} 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=2554,3751 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=0.4975} 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=2555,3752 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=0.4988} 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=2556,3753 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=0.4974} 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=2558,3755 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=0.4889} 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=2566,3763 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=0.4919} 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=2567,3764 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=0.4765} 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=2568,3765 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=0.5113} 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=2570,3767 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=0.5194} 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=2585,3782 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=0.5396} 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=2586,3783 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=0.5783} 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=2587,3784 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=0.5106} 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=2589,3786 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=0.5115} 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=2596,3793 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=0.5104} 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=2597,3794 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=0.4815} 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=2598,3795 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=0.5422} 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=2600,3797 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=0.5420} 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=2618,3815 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=0.5105} 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=2619,3816 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=0.5099} 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=2620,3817 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=0.4912} 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=2622,3819 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=0.4682} 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=2634,3831 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=0.4822} 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=2635,3832 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=0.4875} 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=2636,3833 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=0.4947} 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=2638,3835 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=0.5221} 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=2648,3845 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=0.4876} 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=2649,3846 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=0.4794} 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=2650,3847 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=0.4743} 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=2652,3849 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=0.4619} 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=2659,3856 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=0.4750} 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=2660,3857 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=0.4826} 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=2661,3858 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=0.4800} 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=2663,3860 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=0.4842} 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=2681,3878 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=0.4798} 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=2682,3879 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=0.4797} 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=2683,3880 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=0.4792} 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=2685,3882 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=0.4777} 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=2692,3889 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=0.4705} 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=2693,3890 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=0.4663} 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=2694,3891 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=0.4671} 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=2696,3893 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=0.4613} 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=2699,3896 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=0.4684} 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=2700,3897 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=0.4636} 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=2701,3898 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=0.4815} 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=2703,3900 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=0.4916} 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=2710,3907 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=0.4921} 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=2711,3908 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=0.4923} 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=2712,3909 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=0.4940} 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=2714,3911 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=0.5011} 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=2729,3926 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=0.4995} 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=2730,3927 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=0.5014} 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=2731,3928 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=0.4974} 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=2733,3930 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=0.5107} 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=2736,3933 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=0.4912} 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=2737,3934 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=0.4834} 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=2738,3935 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=0.4923} 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=2740,3937 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=0.4832} 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=2750,3947 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=0.4786} 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=2751,3948 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=0.4792} 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=2752,3949 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=0.4770} 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=2754,3951 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=0.4764} 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=2769,3966 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=0.4797} 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=2770,3967 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=0.4809} 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=2771,3968 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=0.4813} 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=2773,3970 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=0.4832} 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=2786,3983 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=0.4859} 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=2787,3984 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=0.4882} 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=2788,3985 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=0.4863} 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=2790,3987 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=0.4900} 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=2803,4000 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=0.4883} 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=2804,4001 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=0.4889} 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=2805,4002 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=0.4884} 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=2807,4004 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=0.4909} 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=2825,4022 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=0.4832} 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=2826,4023 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=0.4815} 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=2827,4024 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=0.4838} 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=2831,4028 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=0.4919} 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=2839,4036 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=0.4857} 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=2840,4037 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=0.4856} 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=2841,4038 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=0.4854} 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=2843,4040 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=0.4950} 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=2846,4043 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=0.4814} 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=2847,4044 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=0.5021} 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=2848,4045 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=0.4882} 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=2850,4047 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=0.4627} 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=2853,4050 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=0.4869} 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=2854,4051 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=0.5098} 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=2855,4052 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=0.4903} 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=2857,4054 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=0.4960} 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=2860,4057 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=0.4916} 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=2861,4058 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=0.4917} 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=2862,4059 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=0.4880} 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=2864,4061 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=0.4837} 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=2877,4074 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=0.4827} 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=2878,4075 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=0.4840} 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=2879,4076 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=0.4849} 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=2881,4078 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=0.4894} 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=2893,4090 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=0.4813} 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=2894,4091 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=0.4803} 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=2895,4092 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=0.4814} 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=2897,4094 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=0.4842} 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=2908,4105 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=0.4845} 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=2909,4106 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=0.4843} 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=2910,4107 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=0.4839} 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=2912,4109 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=0.4855} 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=2924,4121 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=2925,4122 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=0.4820} 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=2926,4123 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=0.4795} 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=2928,4125 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=0.4778} 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=2946,4143 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=0.4810} 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=2947,4144 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=0.4787} 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=2948,4145 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=0.4870} 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=2950,4147 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=0.4954} 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=2957,4154 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=0.4988} 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=2958,4155 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=0.5049} 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=2959,4156 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=0.4964} 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=2961,4158 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=0.4956} 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=2972,4169 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=0.4974} 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=2973,4170 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=0.5006} 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=2974,4171 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=0.4977} 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=2976,4173 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=0.4970} 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=2994,4191 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=0.4892} 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=2995,4192 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=0.4890} 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=2996,4193 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=0.4864} 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=2998,4195 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=0.4856} 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=3013,4210 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=0.4932} 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=3014,4211 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=0.4952} 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=3015,4212 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=0.4982} 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=3017,4214 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=0.5111} 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=3025,4222 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=0.4982} 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=3026,4223 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=0.4985} 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=3027,4224 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=0.4870} 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=3029,4226 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=0.4763} 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=3045,4242 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=0.4868} 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=3046,4243 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=0.4873} 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=3047,4244 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=0.4969} 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=3049,4246 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=0.5175} 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=3067,4264 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=0.5026} 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=3068,4265 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=0.5042} 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=3069,4266 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=0.4910} 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=3071,4268 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=0.4839} 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=3079,4276 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=0.4815} 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=3080,4277 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=0.4791} 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=3081,4278 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=0.4833} 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=3083,4280 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=0.4854} 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=3103,4300 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=0.4614} 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=3104,4301 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=0.4168} 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=3105,4302 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=0.4981} 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=3107,4304 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=0.4887} 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=3119,4316 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=0.4916} 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=3120,4317 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=0.4951} 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=3121,4318 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=0.4938} 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=3123,4320 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=0.4945} 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=3136,4333 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=0.4838} 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=3137,4334 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=0.4853} 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=3138,4335 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=0.4753} 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=3140,4337 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=0.4682} 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=3147,4344 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=0.4679} 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=3148,4345 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=0.4656} 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=3149,4346 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=0.4748} 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=3151,4348 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=0.4895} 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=3169,4366 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=0.4864} 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=3170,4367 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=0.4844} 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=3171,4368 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=0.4827} 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=3173,4370 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=0.4734} 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=3188,4385 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=0.4801} 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=3189,4386 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=0.4837} 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=3190,4387 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=0.4854} 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=3192,4389 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=0.4910} 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=3195,4392 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=0.4874} 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=3196,4393 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=0.5033} 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=3197,4394 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=0.4780} 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=3199,4396 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=0.4747} 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=3206,4403 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=0.4832} 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=3207,4404 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=0.4891} 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=3208,4405 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=0.4859} 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=3210,4407 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=0.4917} 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=3225,4422 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=0.4905} 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=3226,4423 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=0.4916} 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=3227,4424 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=0.4886} 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=3229,4426 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=0.4929} 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=3237,4434 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=0.4874} 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=3238,4435 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=0.4890} 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=3239,4436 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=0.4840} 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=3241,4438 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=0.4800} 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=3251,4448 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=0.4840} 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=3252,4449 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=0.4850} 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=3253,4450 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=0.4860} 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=3255,4452 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=0.4890} 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=3270,4467 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=0.4890} 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=3271,4468 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=0.4892} 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=3272,4469 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=0.4912} 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=3274,4471 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=0.4941} 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=3284,4481 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=0.4929} 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=3285,4482 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=0.4927} 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=3286,4483 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=0.4921} 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=3288,4485 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=0.4887} 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=3301,4498 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=0.4942} 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=3302,4499 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=0.4950} 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=3303,4500 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=0.5004} 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=3305,4502 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=0.5090} 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=3317,4514 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=0.5156} 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=3318,4515 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=0.5217} 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=3319,4516 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=0.5108} 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=3323,4520 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=0.5045} 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=3331,4528 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=0.4953} 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=3332,4529 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=0.4962} 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=3333,4530 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=0.4881} 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=3335,4532 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=0.4816} 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=3338,4535 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=0.5069} 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=3339,4536 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=0.5243} 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=3340,4537 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=0.5148} 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=3342,4539 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=0.5390} 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=3345,4542 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=0.5143} 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=3346,4543 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=0.5089} 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=3347,4544 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=0.5039} 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=3349,4546 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=0.4846} 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=3352,4549 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=0.4898} 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=3353,4550 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=0.5201} 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=3354,4551 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=0.4587} 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=3356,4553 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=0.4719} 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=3366,4563 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=0.4807} 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=3367,4564 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=0.4834} 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=3368,4565 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=0.4865} 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=3370,4567 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=0.4989} 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=3388,4585 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=3389,4586 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=0.4911} 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=3390,4587 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=0.4847} 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=3392,4589 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=0.4842} 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=3410,4607 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=0.4821} 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=3411,4608 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=0.4815} 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=3412,4609 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=0.4808} 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=3414,4611 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=0.4797} 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=3429,4626 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=0.4871} 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=3430,4627 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=0.4892} 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=3431,4628 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=0.4926} 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=3433,4630 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=0.5059} 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=3444,4641 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=0.4937} 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=3445,4642 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=0.4897} 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=3446,4643 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=0.4920} 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=3448,4645 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=0.4864} 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=3458,4655 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=0.4849} 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=3459,4656 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=0.4870} 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=3460,4657 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=0.4849} 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=3462,4659 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=0.4847} 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=3475,4672 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=0.4804} 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=3476,4673 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=0.4785} 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=3477,4674 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=0.4835} 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=3479,4676 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=0.4923} 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=3497,4694 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=0.4876} 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=3498,4695 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=0.4878} 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=3499,4696 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=0.4870} 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=3501,4698 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=0.4867} 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=3516,4713 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=0.4882} 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=3517,4714 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=0.4905} 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=3518,4715 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=0.4901} 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=3520,4717 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=0.4947} 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=3530,4727 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=0.4879} 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=3531,4728 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=0.4872} 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=3532,4729 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=0.4867} 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=3534,4731 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=0.4863} 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=3550,4747 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=0.4880} 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=3551,4748 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=0.4904} 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=3552,4749 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=0.4880} 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=3554,4751 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=0.4922} 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=3574,4771 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=0.5038} 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=3575,4772 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=0.5027} 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=3576,4773 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=0.5192} 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=3578,4775 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=0.5471} 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=3589,4786 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=0.6108} WEIGHT307A weight value for a given contact, by default is 1=0.00325733 SUM calculate the sum of all the contacts in the input ...
restrainta: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=cmapab 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 restraintb: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=cmapbc 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 restraintc: RESTRAINTAdds harmonic and/or linear restraints on one or more variables. More details ARGthe values the harmonic restraint acts upon=cmapcd 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: 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=20.0 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 PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=rmsda,rmsdb,rmsdc,rmsdd,sumrmsdint,cmapab,cmapbc,cmapcd,restrainta.bias,restraintb.bias,restraintc.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