Project ID: plumID:21.017
Source: plumed/pbmetad/reweight.dat
Originally used with PLUMED version: 2.5
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
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RESTARTActivate restart. More detailsMOLINFOThis command is used to provide information on the molecules that are present in your system. More detailsSTRUCTURE=../topologies/cry_disp.pdb prot:a file in pdb format containing a reference structureGROUPDefine a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More detailsATOMS=1-3436the numerical indexes for the set of atoms in the groupWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=protthe atoms that make up a molecule that you wish to alignCONTACTMAP...Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More detailsATOMS1=5,2614the atoms involved in each of the contacts you wish to calculateSWITCH1={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5906647443771362}The switching functions to use for each of the contacts in your mapWEIGHT1=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS2=7,2614the atoms involved in each of the contacts you wish to calculateSWITCH2={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5185102820396423}The switching functions to use for each of the contacts in your mapWEIGHT2=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS3=7,2615the atoms involved in each of the contacts you wish to calculateSWITCH3={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.593129575252533}The switching functions to use for each of the contacts in your mapWEIGHT3=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS4=10,2611the atoms involved in each of the contacts you wish to calculateSWITCH4={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.586646318435669}The switching functions to use for each of the contacts in your mapWEIGHT4=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS5=10,2614the atoms involved in each of the contacts you wish to calculateSWITCH5={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.456674724817276}The switching functions to use for each of the contacts in your mapWEIGHT5=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS6=10,2615the atoms involved in each of the contacts you wish to calculateSWITCH6={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49712154269218445}The switching functions to use for each of the contacts in your mapWEIGHT6=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS7=13,2614the atoms involved in each of the contacts you wish to calculateSWITCH7={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613436460494995}The switching functions to use for each of the contacts in your mapWEIGHT7=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS8=13,2615the atoms involved in each of the contacts you wish to calculateSWITCH8={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452181339263916}The switching functions to use for each of the contacts in your mapWEIGHT8=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS9=14,2562the atoms involved in each of the contacts you wish to calculateSWITCH9={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5097001194953918}The switching functions to use for each of the contacts in your mapWEIGHT9=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS10=14,2611the atoms involved in each of the contacts you wish to calculateSWITCH10={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5882064700126648}The switching functions to use for each of the contacts in your mapWEIGHT10=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS11=14,2614the atoms involved in each of the contacts you wish to calculateSWITCH11={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4207860827445984}The switching functions to use for each of the contacts in your mapWEIGHT11=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS12=14,2615the atoms involved in each of the contacts you wish to calculateSWITCH12={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4133533835411072}The switching functions to use for each of the contacts in your mapWEIGHT12=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS13=15,2614the atoms involved in each of the contacts you wish to calculateSWITCH13={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5561921000480652}The switching functions to use for each of the contacts in your mapWEIGHT13=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS14=15,2615the atoms involved in each of the contacts you wish to calculateSWITCH14={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5145383477210999}The switching functions to use for each of the contacts in your mapWEIGHT14=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS15=16,2614the atoms involved in each of the contacts you wish to calculateSWITCH15={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5202739238739014}The switching functions to use for each of the contacts in your mapWEIGHT15=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS16=17,2678the atoms involved in each of the contacts you wish to calculateSWITCH16={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5749780535697937}The switching functions to use for each of the contacts in your mapWEIGHT16=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS17=17,2679the atoms involved in each of the contacts you wish to calculateSWITCH17={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5931851267814636}The switching functions to use for each of the contacts in your mapWEIGHT17=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS18=17,2680the atoms involved in each of the contacts you wish to calculateSWITCH18={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5596337914466858}The switching functions to use for each of the contacts in your mapWEIGHT18=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS19=18,2608the atoms involved in each of the contacts you wish to calculateSWITCH19={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5085017085075378}The switching functions to use for each of the contacts in your mapWEIGHT19=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS20=18,2611the atoms involved in each of the contacts you wish to calculateSWITCH20={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5004380345344543}The switching functions to use for each of the contacts in your mapWEIGHT20=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS21=18,2614the atoms involved in each of the contacts you wish to calculateSWITCH21={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41073325276374817}The switching functions to use for each of the contacts in your mapWEIGHT21=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS22=18,2615the atoms involved in each of the contacts you wish to calculateSWITCH22={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.555889904499054}The switching functions to use for each of the contacts in your mapWEIGHT22=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS23=20,71the atoms involved in each of the contacts you wish to calculateSWITCH23={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5953109860420227}The switching functions to use for each of the contacts in your mapWEIGHT23=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS24=20,2606the atoms involved in each of the contacts you wish to calculateSWITCH24={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5293876528739929}The switching functions to use for each of the contacts in your mapWEIGHT24=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS25=20,2608the atoms involved in each of the contacts you wish to calculateSWITCH25={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3991015553474426}The switching functions to use for each of the contacts in your mapWEIGHT25=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS26=20,2611the atoms involved in each of the contacts you wish to calculateSWITCH26={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4267391562461853}The switching functions to use for each of the contacts in your mapWEIGHT26=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS27=20,2614the atoms involved in each of the contacts you wish to calculateSWITCH27={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.384861022233963}The switching functions to use for each of the contacts in your mapWEIGHT27=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS28=20,2615the atoms involved in each of the contacts you wish to calculateSWITCH28={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.55092453956604}The switching functions to use for each of the contacts in your mapWEIGHT28=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS29=20,2619the atoms involved in each of the contacts you wish to calculateSWITCH29={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.567723274230957}The switching functions to use for each of the contacts in your mapWEIGHT29=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS30=20,2620the atoms involved in each of the contacts you wish to calculateSWITCH30={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5740474462509155}The switching functions to use for each of the contacts in your mapWEIGHT30=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS31=20,2675the atoms involved in each of the contacts you wish to calculateSWITCH31={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5158069133758545}The switching functions to use for each of the contacts in your mapWEIGHT31=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS32=20,2678the atoms involved in each of the contacts you wish to calculateSWITCH32={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5013919472694397}The switching functions to use for each of the contacts in your mapWEIGHT32=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS33=20,2679the atoms involved in each of the contacts you wish to calculateSWITCH33={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5244279503822327}The switching functions to use for each of the contacts in your mapWEIGHT33=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS34=20,2680the atoms involved in each of the contacts you wish to calculateSWITCH34={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442516803741455}The switching functions to use for each of the contacts in your mapWEIGHT34=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS35=23,71the atoms involved in each of the contacts you wish to calculateSWITCH35={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4722512364387512}The switching functions to use for each of the contacts in your mapWEIGHT35=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS36=23,73the atoms involved in each of the contacts you wish to calculateSWITCH36={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677766799926758}The switching functions to use for each of the contacts in your mapWEIGHT36=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS37=23,75the atoms involved in each of the contacts you wish to calculateSWITCH37={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5222311019897461}The switching functions to use for each of the contacts in your mapWEIGHT37=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS38=23,2606the atoms involved in each of the contacts you wish to calculateSWITCH38={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5827943682670593}The switching functions to use for each of the contacts in your mapWEIGHT38=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS39=23,2608the atoms involved in each of the contacts you wish to calculateSWITCH39={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46802353858947754}The switching functions to use for each of the contacts in your mapWEIGHT39=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS40=23,2611the atoms involved in each of the contacts you wish to calculateSWITCH40={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5313400626182556}The switching functions to use for each of the contacts in your mapWEIGHT40=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS41=23,2614the atoms involved in each of the contacts you wish to calculateSWITCH41={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49840518832206726}The switching functions to use for each of the contacts in your mapWEIGHT41=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS42=23,2619the atoms involved in each of the contacts you wish to calculateSWITCH42={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5852264165878296}The switching functions to use for each of the contacts in your mapWEIGHT42=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS43=23,2620the atoms involved in each of the contacts you wish to calculateSWITCH43={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.586176335811615}The switching functions to use for each of the contacts in your mapWEIGHT43=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS44=23,2672the atoms involved in each of the contacts you wish to calculateSWITCH44={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5724631547927856}The switching functions to use for each of the contacts in your mapWEIGHT44=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS45=23,2675the atoms involved in each of the contacts you wish to calculateSWITCH45={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4418203830718994}The switching functions to use for each of the contacts in your mapWEIGHT45=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS46=23,2678the atoms involved in each of the contacts you wish to calculateSWITCH46={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44946226477622986}The switching functions to use for each of the contacts in your mapWEIGHT46=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS47=23,2679the atoms involved in each of the contacts you wish to calculateSWITCH47={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5072013139724731}The switching functions to use for each of the contacts in your mapWEIGHT47=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS48=23,2680the atoms involved in each of the contacts you wish to calculateSWITCH48={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4773576855659485}The switching functions to use for each of the contacts in your mapWEIGHT48=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS49=24,71the atoms involved in each of the contacts you wish to calculateSWITCH49={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36075639724731445}The switching functions to use for each of the contacts in your mapWEIGHT49=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS50=24,73the atoms involved in each of the contacts you wish to calculateSWITCH50={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4602675437927246}The switching functions to use for each of the contacts in your mapWEIGHT50=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS51=24,75the atoms involved in each of the contacts you wish to calculateSWITCH51={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4309259355068207}The switching functions to use for each of the contacts in your mapWEIGHT51=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS52=24,78the atoms involved in each of the contacts you wish to calculateSWITCH52={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5696892142295837}The switching functions to use for each of the contacts in your mapWEIGHT52=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS53=24,90the atoms involved in each of the contacts you wish to calculateSWITCH53={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5759915709495544}The switching functions to use for each of the contacts in your mapWEIGHT53=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS54=24,92the atoms involved in each of the contacts you wish to calculateSWITCH54={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5737916827201843}The switching functions to use for each of the contacts in your mapWEIGHT54=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS55=24,2606the atoms involved in each of the contacts you wish to calculateSWITCH55={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5465536713600159}The switching functions to use for each of the contacts in your mapWEIGHT55=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS56=24,2608the atoms involved in each of the contacts you wish to calculateSWITCH56={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4407060742378235}The switching functions to use for each of the contacts in your mapWEIGHT56=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS57=24,2611the atoms involved in each of the contacts you wish to calculateSWITCH57={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5248677134513855}The switching functions to use for each of the contacts in your mapWEIGHT57=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS58=24,2614the atoms involved in each of the contacts you wish to calculateSWITCH58={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5014955401420593}The switching functions to use for each of the contacts in your mapWEIGHT58=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS59=24,2619the atoms involved in each of the contacts you wish to calculateSWITCH59={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5348827242851257}The switching functions to use for each of the contacts in your mapWEIGHT59=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS60=24,2620the atoms involved in each of the contacts you wish to calculateSWITCH60={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5512351393699646}The switching functions to use for each of the contacts in your mapWEIGHT60=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS61=24,2621the atoms involved in each of the contacts you wish to calculateSWITCH61={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5498201847076416}The switching functions to use for each of the contacts in your mapWEIGHT61=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS62=24,2623the atoms involved in each of the contacts you wish to calculateSWITCH62={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5609894394874573}The switching functions to use for each of the contacts in your mapWEIGHT62=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS63=24,2627the atoms involved in each of the contacts you wish to calculateSWITCH63={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5207704305648804}The switching functions to use for each of the contacts in your mapWEIGHT63=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS64=24,2672the atoms involved in each of the contacts you wish to calculateSWITCH64={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5424293279647827}The switching functions to use for each of the contacts in your mapWEIGHT64=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS65=24,2675the atoms involved in each of the contacts you wish to calculateSWITCH65={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42329293489456177}The switching functions to use for each of the contacts in your mapWEIGHT65=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS66=24,2678the atoms involved in each of the contacts you wish to calculateSWITCH66={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47217997908592224}The switching functions to use for each of the contacts in your mapWEIGHT66=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS67=24,2679the atoms involved in each of the contacts you wish to calculateSWITCH67={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5396524667739868}The switching functions to use for each of the contacts in your mapWEIGHT67=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS68=24,2680the atoms involved in each of the contacts you wish to calculateSWITCH68={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.515897274017334}The switching functions to use for each of the contacts in your mapWEIGHT68=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS69=25,2608the atoms involved in each of the contacts you wish to calculateSWITCH69={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5896017551422119}The switching functions to use for each of the contacts in your mapWEIGHT69=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS70=25,2672the atoms involved in each of the contacts you wish to calculateSWITCH70={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5636327862739563}The switching functions to use for each of the contacts in your mapWEIGHT70=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS71=25,2675the atoms involved in each of the contacts you wish to calculateSWITCH71={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4471566081047058}The switching functions to use for each of the contacts in your mapWEIGHT71=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS72=25,2678the atoms involved in each of the contacts you wish to calculateSWITCH72={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42888006567955017}The switching functions to use for each of the contacts in your mapWEIGHT72=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS73=25,2679the atoms involved in each of the contacts you wish to calculateSWITCH73={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5004608631134033}The switching functions to use for each of the contacts in your mapWEIGHT73=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS74=25,2680the atoms involved in each of the contacts you wish to calculateSWITCH74={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4185190498828888}The switching functions to use for each of the contacts in your mapWEIGHT74=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS75=27,92the atoms involved in each of the contacts you wish to calculateSWITCH75={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5413738489151001}The switching functions to use for each of the contacts in your mapWEIGHT75=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS76=27,99the atoms involved in each of the contacts you wish to calculateSWITCH76={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550334453582764}The switching functions to use for each of the contacts in your mapWEIGHT76=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS77=27,2672the atoms involved in each of the contacts you wish to calculateSWITCH77={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.516051173210144}The switching functions to use for each of the contacts in your mapWEIGHT77=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS78=27,2675the atoms involved in each of the contacts you wish to calculateSWITCH78={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4324117600917816}The switching functions to use for each of the contacts in your mapWEIGHT78=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS79=27,2678the atoms involved in each of the contacts you wish to calculateSWITCH79={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4340057075023651}The switching functions to use for each of the contacts in your mapWEIGHT79=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS80=27,2679the atoms involved in each of the contacts you wish to calculateSWITCH80={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321541428565979}The switching functions to use for each of the contacts in your mapWEIGHT80=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS81=27,2680the atoms involved in each of the contacts you wish to calculateSWITCH81={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4001438617706299}The switching functions to use for each of the contacts in your mapWEIGHT81=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS82=27,2760the atoms involved in each of the contacts you wish to calculateSWITCH82={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5404572486877441}The switching functions to use for each of the contacts in your mapWEIGHT82=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS83=29,99the atoms involved in each of the contacts you wish to calculateSWITCH83={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5563212037086487}The switching functions to use for each of the contacts in your mapWEIGHT83=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS84=29,2672the atoms involved in each of the contacts you wish to calculateSWITCH84={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650114417076111}The switching functions to use for each of the contacts in your mapWEIGHT84=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS85=29,2675the atoms involved in each of the contacts you wish to calculateSWITCH85={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5007882118225098}The switching functions to use for each of the contacts in your mapWEIGHT85=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS86=29,2678the atoms involved in each of the contacts you wish to calculateSWITCH86={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46722137928009033}The switching functions to use for each of the contacts in your mapWEIGHT86=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS87=29,2679the atoms involved in each of the contacts you wish to calculateSWITCH87={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5638341307640076}The switching functions to use for each of the contacts in your mapWEIGHT87=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS88=29,2680the atoms involved in each of the contacts you wish to calculateSWITCH88={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3904639184474945}The switching functions to use for each of the contacts in your mapWEIGHT88=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS89=29,2757the atoms involved in each of the contacts you wish to calculateSWITCH89={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5927574038505554}The switching functions to use for each of the contacts in your mapWEIGHT89=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS90=29,2760the atoms involved in each of the contacts you wish to calculateSWITCH90={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49213939905166626}The switching functions to use for each of the contacts in your mapWEIGHT90=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS91=32,99the atoms involved in each of the contacts you wish to calculateSWITCH91={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5191494226455688}The switching functions to use for each of the contacts in your mapWEIGHT91=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS92=32,102the atoms involved in each of the contacts you wish to calculateSWITCH92={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5889125466346741}The switching functions to use for each of the contacts in your mapWEIGHT92=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS93=32,2672the atoms involved in each of the contacts you wish to calculateSWITCH93={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5022460222244263}The switching functions to use for each of the contacts in your mapWEIGHT93=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS94=32,2675the atoms involved in each of the contacts you wish to calculateSWITCH94={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47684159874916077}The switching functions to use for each of the contacts in your mapWEIGHT94=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS95=32,2678the atoms involved in each of the contacts you wish to calculateSWITCH95={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4437395930290222}The switching functions to use for each of the contacts in your mapWEIGHT95=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS96=32,2679the atoms involved in each of the contacts you wish to calculateSWITCH96={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.550187349319458}The switching functions to use for each of the contacts in your mapWEIGHT96=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS97=32,2680the atoms involved in each of the contacts you wish to calculateSWITCH97={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.34333813190460205}The switching functions to use for each of the contacts in your mapWEIGHT97=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS98=32,2754the atoms involved in each of the contacts you wish to calculateSWITCH98={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5969977378845215}The switching functions to use for each of the contacts in your mapWEIGHT98=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS99=32,2757the atoms involved in each of the contacts you wish to calculateSWITCH99={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4662296772003174}The switching functions to use for each of the contacts in your mapWEIGHT99=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS100=32,2760the atoms involved in each of the contacts you wish to calculateSWITCH100={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35084468126296997}The switching functions to use for each of the contacts in your mapWEIGHT100=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS101=33,92the atoms involved in each of the contacts you wish to calculateSWITCH101={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5789807438850403}The switching functions to use for each of the contacts in your mapWEIGHT101=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS102=33,99the atoms involved in each of the contacts you wish to calculateSWITCH102={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.513350784778595}The switching functions to use for each of the contacts in your mapWEIGHT102=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS103=33,102the atoms involved in each of the contacts you wish to calculateSWITCH103={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5722209811210632}The switching functions to use for each of the contacts in your mapWEIGHT103=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS104=33,2668the atoms involved in each of the contacts you wish to calculateSWITCH104={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5915659666061401}The switching functions to use for each of the contacts in your mapWEIGHT104=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS105=33,2670the atoms involved in each of the contacts you wish to calculateSWITCH105={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4922378659248352}The switching functions to use for each of the contacts in your mapWEIGHT105=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS106=33,2672the atoms involved in each of the contacts you wish to calculateSWITCH106={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3836851418018341}The switching functions to use for each of the contacts in your mapWEIGHT106=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS107=33,2675the atoms involved in each of the contacts you wish to calculateSWITCH107={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.377132773399353}The switching functions to use for each of the contacts in your mapWEIGHT107=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS108=33,2678the atoms involved in each of the contacts you wish to calculateSWITCH108={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36823368072509766}The switching functions to use for each of the contacts in your mapWEIGHT108=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS109=33,2679the atoms involved in each of the contacts you wish to calculateSWITCH109={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4850786626338959}The switching functions to use for each of the contacts in your mapWEIGHT109=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS110=33,2680the atoms involved in each of the contacts you wish to calculateSWITCH110={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.28270500898361206}The switching functions to use for each of the contacts in your mapWEIGHT110=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS111=33,2683the atoms involved in each of the contacts you wish to calculateSWITCH111={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5811462998390198}The switching functions to use for each of the contacts in your mapWEIGHT111=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS112=33,2684the atoms involved in each of the contacts you wish to calculateSWITCH112={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5934146046638489}The switching functions to use for each of the contacts in your mapWEIGHT112=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS113=33,2751the atoms involved in each of the contacts you wish to calculateSWITCH113={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5508733987808228}The switching functions to use for each of the contacts in your mapWEIGHT113=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS114=33,2754the atoms involved in each of the contacts you wish to calculateSWITCH114={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5102052688598633}The switching functions to use for each of the contacts in your mapWEIGHT114=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS115=33,2757the atoms involved in each of the contacts you wish to calculateSWITCH115={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3786570429801941}The switching functions to use for each of the contacts in your mapWEIGHT115=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS116=33,2760the atoms involved in each of the contacts you wish to calculateSWITCH116={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2831907868385315}The switching functions to use for each of the contacts in your mapWEIGHT116=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS117=34,99the atoms involved in each of the contacts you wish to calculateSWITCH117={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5657216906547546}The switching functions to use for each of the contacts in your mapWEIGHT117=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS118=34,2672the atoms involved in each of the contacts you wish to calculateSWITCH118={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.587437093257904}The switching functions to use for each of the contacts in your mapWEIGHT118=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS119=34,2675the atoms involved in each of the contacts you wish to calculateSWITCH119={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5748348236083984}The switching functions to use for each of the contacts in your mapWEIGHT119=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS120=34,2678the atoms involved in each of the contacts you wish to calculateSWITCH120={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5223351120948792}The switching functions to use for each of the contacts in your mapWEIGHT120=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS121=34,2680the atoms involved in each of the contacts you wish to calculateSWITCH121={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40363872051239014}The switching functions to use for each of the contacts in your mapWEIGHT121=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS122=34,2757the atoms involved in each of the contacts you wish to calculateSWITCH122={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49774396419525146}The switching functions to use for each of the contacts in your mapWEIGHT122=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS123=34,2760the atoms involved in each of the contacts you wish to calculateSWITCH123={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3613321781158447}The switching functions to use for each of the contacts in your mapWEIGHT123=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS124=35,92the atoms involved in each of the contacts you wish to calculateSWITCH124={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4354642629623413}The switching functions to use for each of the contacts in your mapWEIGHT124=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS125=35,94the atoms involved in each of the contacts you wish to calculateSWITCH125={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5330639481544495}The switching functions to use for each of the contacts in your mapWEIGHT125=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS126=35,96the atoms involved in each of the contacts you wish to calculateSWITCH126={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5001931190490723}The switching functions to use for each of the contacts in your mapWEIGHT126=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS127=35,99the atoms involved in each of the contacts you wish to calculateSWITCH127={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46458980441093445}The switching functions to use for each of the contacts in your mapWEIGHT127=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS128=35,102the atoms involved in each of the contacts you wish to calculateSWITCH128={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5992807745933533}The switching functions to use for each of the contacts in your mapWEIGHT128=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS129=35,107the atoms involved in each of the contacts you wish to calculateSWITCH129={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5969147086143494}The switching functions to use for each of the contacts in your mapWEIGHT129=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS130=35,2675the atoms involved in each of the contacts you wish to calculateSWITCH130={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5383909344673157}The switching functions to use for each of the contacts in your mapWEIGHT130=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS131=35,2678the atoms involved in each of the contacts you wish to calculateSWITCH131={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681493878364563}The switching functions to use for each of the contacts in your mapWEIGHT131=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS132=35,2680the atoms involved in each of the contacts you wish to calculateSWITCH132={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5403276681900024}The switching functions to use for each of the contacts in your mapWEIGHT132=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS133=35,2760the atoms involved in each of the contacts you wish to calculateSWITCH133={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5831187963485718}The switching functions to use for each of the contacts in your mapWEIGHT133=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS134=36,92the atoms involved in each of the contacts you wish to calculateSWITCH134={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3130080997943878}The switching functions to use for each of the contacts in your mapWEIGHT134=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS135=36,94the atoms involved in each of the contacts you wish to calculateSWITCH135={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4137173295021057}The switching functions to use for each of the contacts in your mapWEIGHT135=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS136=36,96the atoms involved in each of the contacts you wish to calculateSWITCH136={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39495566487312317}The switching functions to use for each of the contacts in your mapWEIGHT136=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS137=36,99the atoms involved in each of the contacts you wish to calculateSWITCH137={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37117165327072144}The switching functions to use for each of the contacts in your mapWEIGHT137=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS138=36,102the atoms involved in each of the contacts you wish to calculateSWITCH138={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5072535872459412}The switching functions to use for each of the contacts in your mapWEIGHT138=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS139=36,103the atoms involved in each of the contacts you wish to calculateSWITCH139={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5630761384963989}The switching functions to use for each of the contacts in your mapWEIGHT139=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS140=36,104the atoms involved in each of the contacts you wish to calculateSWITCH140={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5923940539360046}The switching functions to use for each of the contacts in your mapWEIGHT140=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS141=36,105the atoms involved in each of the contacts you wish to calculateSWITCH141={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5115256309509277}The switching functions to use for each of the contacts in your mapWEIGHT141=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS142=36,107the atoms involved in each of the contacts you wish to calculateSWITCH142={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4952453672885895}The switching functions to use for each of the contacts in your mapWEIGHT142=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS143=36,2672the atoms involved in each of the contacts you wish to calculateSWITCH143={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5923876762390137}The switching functions to use for each of the contacts in your mapWEIGHT143=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS144=36,2675the atoms involved in each of the contacts you wish to calculateSWITCH144={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5485928654670715}The switching functions to use for each of the contacts in your mapWEIGHT144=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS145=36,2680the atoms involved in each of the contacts you wish to calculateSWITCH145={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.583881139755249}The switching functions to use for each of the contacts in your mapWEIGHT145=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS146=36,2757the atoms involved in each of the contacts you wish to calculateSWITCH146={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5736783146858215}The switching functions to use for each of the contacts in your mapWEIGHT146=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS147=36,2760the atoms involved in each of the contacts you wish to calculateSWITCH147={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5473650693893433}The switching functions to use for each of the contacts in your mapWEIGHT147=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS148=39,107the atoms involved in each of the contacts you wish to calculateSWITCH148={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5196257829666138}The switching functions to use for each of the contacts in your mapWEIGHT148=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS149=39,111the atoms involved in each of the contacts you wish to calculateSWITCH149={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5673843622207642}The switching functions to use for each of the contacts in your mapWEIGHT149=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS150=50,107the atoms involved in each of the contacts you wish to calculateSWITCH150={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40717196464538574}The switching functions to use for each of the contacts in your mapWEIGHT150=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS151=50,109the atoms involved in each of the contacts you wish to calculateSWITCH151={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4873991310596466}The switching functions to use for each of the contacts in your mapWEIGHT151=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS152=50,111the atoms involved in each of the contacts you wish to calculateSWITCH152={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4420057237148285}The switching functions to use for each of the contacts in your mapWEIGHT152=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS153=50,114the atoms involved in each of the contacts you wish to calculateSWITCH153={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5708449482917786}The switching functions to use for each of the contacts in your mapWEIGHT153=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS154=51,107the atoms involved in each of the contacts you wish to calculateSWITCH154={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2938857972621918}The switching functions to use for each of the contacts in your mapWEIGHT154=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS155=51,109the atoms involved in each of the contacts you wish to calculateSWITCH155={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37061816453933716}The switching functions to use for each of the contacts in your mapWEIGHT155=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS156=51,111the atoms involved in each of the contacts you wish to calculateSWITCH156={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3372995853424072}The switching functions to use for each of the contacts in your mapWEIGHT156=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS157=51,114the atoms involved in each of the contacts you wish to calculateSWITCH157={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4706655740737915}The switching functions to use for each of the contacts in your mapWEIGHT157=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS158=51,115the atoms involved in each of the contacts you wish to calculateSWITCH158={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488508939743042}The switching functions to use for each of the contacts in your mapWEIGHT158=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS159=51,116the atoms involved in each of the contacts you wish to calculateSWITCH159={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5303713083267212}The switching functions to use for each of the contacts in your mapWEIGHT159=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS160=51,117the atoms involved in each of the contacts you wish to calculateSWITCH160={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49742230772972107}The switching functions to use for each of the contacts in your mapWEIGHT160=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS161=51,119the atoms involved in each of the contacts you wish to calculateSWITCH161={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5170280337333679}The switching functions to use for each of the contacts in your mapWEIGHT161=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS162=51,2491the atoms involved in each of the contacts you wish to calculateSWITCH162={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5902647972106934}The switching functions to use for each of the contacts in your mapWEIGHT162=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS163=52,2491the atoms involved in each of the contacts you wish to calculateSWITCH163={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.570267915725708}The switching functions to use for each of the contacts in your mapWEIGHT163=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS164=52,2627the atoms involved in each of the contacts you wish to calculateSWITCH164={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5942329168319702}The switching functions to use for each of the contacts in your mapWEIGHT164=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS165=54,119the atoms involved in each of the contacts you wish to calculateSWITCH165={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5332401394844055}The switching functions to use for each of the contacts in your mapWEIGHT165=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS166=54,123the atoms involved in each of the contacts you wish to calculateSWITCH166={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5982155799865723}The switching functions to use for each of the contacts in your mapWEIGHT166=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS167=54,2489the atoms involved in each of the contacts you wish to calculateSWITCH167={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5041608810424805}The switching functions to use for each of the contacts in your mapWEIGHT167=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS168=54,2491the atoms involved in each of the contacts you wish to calculateSWITCH168={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44624415040016174}The switching functions to use for each of the contacts in your mapWEIGHT168=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS169=54,2493the atoms involved in each of the contacts you wish to calculateSWITCH169={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.505925178527832}The switching functions to use for each of the contacts in your mapWEIGHT169=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS170=54,2627the atoms involved in each of the contacts you wish to calculateSWITCH170={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5035719275474548}The switching functions to use for each of the contacts in your mapWEIGHT170=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS171=56,2484the atoms involved in each of the contacts you wish to calculateSWITCH171={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5807527899742126}The switching functions to use for each of the contacts in your mapWEIGHT171=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS172=56,2489the atoms involved in each of the contacts you wish to calculateSWITCH172={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5446047782897949}The switching functions to use for each of the contacts in your mapWEIGHT172=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS173=56,2491the atoms involved in each of the contacts you wish to calculateSWITCH173={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46060168743133545}The switching functions to use for each of the contacts in your mapWEIGHT173=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS174=56,2493the atoms involved in each of the contacts you wish to calculateSWITCH174={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47651466727256775}The switching functions to use for each of the contacts in your mapWEIGHT174=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS175=56,2556the atoms involved in each of the contacts you wish to calculateSWITCH175={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5607534050941467}The switching functions to use for each of the contacts in your mapWEIGHT175=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS176=56,2558the atoms involved in each of the contacts you wish to calculateSWITCH176={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5088067054748535}The switching functions to use for each of the contacts in your mapWEIGHT176=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS177=56,2561the atoms involved in each of the contacts you wish to calculateSWITCH177={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793740153312683}The switching functions to use for each of the contacts in your mapWEIGHT177=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS178=56,2562the atoms involved in each of the contacts you wish to calculateSWITCH178={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5907469987869263}The switching functions to use for each of the contacts in your mapWEIGHT178=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS179=56,2564the atoms involved in each of the contacts you wish to calculateSWITCH179={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5451614260673523}The switching functions to use for each of the contacts in your mapWEIGHT179=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS180=56,2565the atoms involved in each of the contacts you wish to calculateSWITCH180={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5082892775535583}The switching functions to use for each of the contacts in your mapWEIGHT180=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS181=56,2608the atoms involved in each of the contacts you wish to calculateSWITCH181={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5343676209449768}The switching functions to use for each of the contacts in your mapWEIGHT181=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS182=56,2611the atoms involved in each of the contacts you wish to calculateSWITCH182={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5906954407691956}The switching functions to use for each of the contacts in your mapWEIGHT182=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS183=56,2614the atoms involved in each of the contacts you wish to calculateSWITCH183={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5247218012809753}The switching functions to use for each of the contacts in your mapWEIGHT183=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS184=56,2625the atoms involved in each of the contacts you wish to calculateSWITCH184={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5954309701919556}The switching functions to use for each of the contacts in your mapWEIGHT184=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS185=56,2627the atoms involved in each of the contacts you wish to calculateSWITCH185={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452328085899353}The switching functions to use for each of the contacts in your mapWEIGHT185=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS186=58,123the atoms involved in each of the contacts you wish to calculateSWITCH186={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5879328846931458}The switching functions to use for each of the contacts in your mapWEIGHT186=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS187=58,2481the atoms involved in each of the contacts you wish to calculateSWITCH187={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321964621543884}The switching functions to use for each of the contacts in your mapWEIGHT187=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS188=58,2484the atoms involved in each of the contacts you wish to calculateSWITCH188={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4766978323459625}The switching functions to use for each of the contacts in your mapWEIGHT188=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS189=58,2485the atoms involved in each of the contacts you wish to calculateSWITCH189={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.551134467124939}The switching functions to use for each of the contacts in your mapWEIGHT189=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS190=58,2487the atoms involved in each of the contacts you wish to calculateSWITCH190={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.549913763999939}The switching functions to use for each of the contacts in your mapWEIGHT190=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS191=58,2489the atoms involved in each of the contacts you wish to calculateSWITCH191={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48523950576782227}The switching functions to use for each of the contacts in your mapWEIGHT191=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS192=58,2491the atoms involved in each of the contacts you wish to calculateSWITCH192={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40989378094673157}The switching functions to use for each of the contacts in your mapWEIGHT192=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS193=58,2493the atoms involved in each of the contacts you wish to calculateSWITCH193={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39925074577331543}The switching functions to use for each of the contacts in your mapWEIGHT193=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS194=58,2556the atoms involved in each of the contacts you wish to calculateSWITCH194={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4958239793777466}The switching functions to use for each of the contacts in your mapWEIGHT194=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS195=58,2558the atoms involved in each of the contacts you wish to calculateSWITCH195={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4450991153717041}The switching functions to use for each of the contacts in your mapWEIGHT195=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS196=58,2561the atoms involved in each of the contacts you wish to calculateSWITCH196={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5452660918235779}The switching functions to use for each of the contacts in your mapWEIGHT196=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS197=58,2562the atoms involved in each of the contacts you wish to calculateSWITCH197={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5861696600914001}The switching functions to use for each of the contacts in your mapWEIGHT197=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS198=58,2564the atoms involved in each of the contacts you wish to calculateSWITCH198={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45119398832321167}The switching functions to use for each of the contacts in your mapWEIGHT198=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS199=58,2565the atoms involved in each of the contacts you wish to calculateSWITCH199={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4243546724319458}The switching functions to use for each of the contacts in your mapWEIGHT199=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS200=58,2566the atoms involved in each of the contacts you wish to calculateSWITCH200={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5097145438194275}The switching functions to use for each of the contacts in your mapWEIGHT200=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS201=58,2568the atoms involved in each of the contacts you wish to calculateSWITCH201={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5655313730239868}The switching functions to use for each of the contacts in your mapWEIGHT201=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS202=58,2608the atoms involved in each of the contacts you wish to calculateSWITCH202={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321520566940308}The switching functions to use for each of the contacts in your mapWEIGHT202=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS203=58,2611the atoms involved in each of the contacts you wish to calculateSWITCH203={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5979047417640686}The switching functions to use for each of the contacts in your mapWEIGHT203=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS204=58,2614the atoms involved in each of the contacts you wish to calculateSWITCH204={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5613822340965271}The switching functions to use for each of the contacts in your mapWEIGHT204=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS205=58,2621the atoms involved in each of the contacts you wish to calculateSWITCH205={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5451663732528687}The switching functions to use for each of the contacts in your mapWEIGHT205=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS206=58,2623the atoms involved in each of the contacts you wish to calculateSWITCH206={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5671552419662476}The switching functions to use for each of the contacts in your mapWEIGHT206=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS207=58,2625the atoms involved in each of the contacts you wish to calculateSWITCH207={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5086638927459717}The switching functions to use for each of the contacts in your mapWEIGHT207=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS208=58,2627the atoms involved in each of the contacts you wish to calculateSWITCH208={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36042720079421997}The switching functions to use for each of the contacts in your mapWEIGHT208=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS209=58,2631the atoms involved in each of the contacts you wish to calculateSWITCH209={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5572584867477417}The switching functions to use for each of the contacts in your mapWEIGHT209=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS210=62,2491the atoms involved in each of the contacts you wish to calculateSWITCH210={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4959251284599304}The switching functions to use for each of the contacts in your mapWEIGHT210=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS211=62,2493the atoms involved in each of the contacts you wish to calculateSWITCH211={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4925505816936493}The switching functions to use for each of the contacts in your mapWEIGHT211=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS212=62,2556the atoms involved in each of the contacts you wish to calculateSWITCH212={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099693536758423}The switching functions to use for each of the contacts in your mapWEIGHT212=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS213=62,2558the atoms involved in each of the contacts you wish to calculateSWITCH213={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4461304247379303}The switching functions to use for each of the contacts in your mapWEIGHT213=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS214=62,2561the atoms involved in each of the contacts you wish to calculateSWITCH214={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48229286074638367}The switching functions to use for each of the contacts in your mapWEIGHT214=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS215=62,2562the atoms involved in each of the contacts you wish to calculateSWITCH215={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4720786213874817}The switching functions to use for each of the contacts in your mapWEIGHT215=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS216=62,2563the atoms involved in each of the contacts you wish to calculateSWITCH216={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5577703714370728}The switching functions to use for each of the contacts in your mapWEIGHT216=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS217=62,2564the atoms involved in each of the contacts you wish to calculateSWITCH217={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5365828275680542}The switching functions to use for each of the contacts in your mapWEIGHT217=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS218=62,2565the atoms involved in each of the contacts you wish to calculateSWITCH218={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5174807906150818}The switching functions to use for each of the contacts in your mapWEIGHT218=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS219=62,2608the atoms involved in each of the contacts you wish to calculateSWITCH219={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5378225445747375}The switching functions to use for each of the contacts in your mapWEIGHT219=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS220=62,2611the atoms involved in each of the contacts you wish to calculateSWITCH220={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5543369650840759}The switching functions to use for each of the contacts in your mapWEIGHT220=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS221=62,2614the atoms involved in each of the contacts you wish to calculateSWITCH221={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44685274362564087}The switching functions to use for each of the contacts in your mapWEIGHT221=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS222=62,2615the atoms involved in each of the contacts you wish to calculateSWITCH222={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5792229175567627}The switching functions to use for each of the contacts in your mapWEIGHT222=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS223=62,2627the atoms involved in each of the contacts you wish to calculateSWITCH223={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5770829319953918}The switching functions to use for each of the contacts in your mapWEIGHT223=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS224=65,2481the atoms involved in each of the contacts you wish to calculateSWITCH224={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5823349952697754}The switching functions to use for each of the contacts in your mapWEIGHT224=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS225=65,2484the atoms involved in each of the contacts you wish to calculateSWITCH225={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5270158052444458}The switching functions to use for each of the contacts in your mapWEIGHT225=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS226=65,2489the atoms involved in each of the contacts you wish to calculateSWITCH226={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5300132632255554}The switching functions to use for each of the contacts in your mapWEIGHT226=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS227=65,2491the atoms involved in each of the contacts you wish to calculateSWITCH227={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4038487672805786}The switching functions to use for each of the contacts in your mapWEIGHT227=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS228=65,2493the atoms involved in each of the contacts you wish to calculateSWITCH228={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3975047171115875}The switching functions to use for each of the contacts in your mapWEIGHT228=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS229=65,2556the atoms involved in each of the contacts you wish to calculateSWITCH229={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5365263819694519}The switching functions to use for each of the contacts in your mapWEIGHT229=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS230=65,2558the atoms involved in each of the contacts you wish to calculateSWITCH230={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43273791670799255}The switching functions to use for each of the contacts in your mapWEIGHT230=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS231=65,2561the atoms involved in each of the contacts you wish to calculateSWITCH231={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4378633499145508}The switching functions to use for each of the contacts in your mapWEIGHT231=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS232=65,2562the atoms involved in each of the contacts you wish to calculateSWITCH232={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4420183002948761}The switching functions to use for each of the contacts in your mapWEIGHT232=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS233=65,2563the atoms involved in each of the contacts you wish to calculateSWITCH233={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4833071529865265}The switching functions to use for each of the contacts in your mapWEIGHT233=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS234=65,2564the atoms involved in each of the contacts you wish to calculateSWITCH234={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5817170143127441}The switching functions to use for each of the contacts in your mapWEIGHT234=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS235=65,2565the atoms involved in each of the contacts you wish to calculateSWITCH235={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5931829810142517}The switching functions to use for each of the contacts in your mapWEIGHT235=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS236=65,2614the atoms involved in each of the contacts you wish to calculateSWITCH236={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.54828941822052}The switching functions to use for each of the contacts in your mapWEIGHT236=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS237=69,119the atoms involved in each of the contacts you wish to calculateSWITCH237={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4360518753528595}The switching functions to use for each of the contacts in your mapWEIGHT237=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS238=69,121the atoms involved in each of the contacts you wish to calculateSWITCH238={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5199857950210571}The switching functions to use for each of the contacts in your mapWEIGHT238=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS239=69,123the atoms involved in each of the contacts you wish to calculateSWITCH239={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4815289378166199}The switching functions to use for each of the contacts in your mapWEIGHT239=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS240=69,2487the atoms involved in each of the contacts you wish to calculateSWITCH240={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5907658934593201}The switching functions to use for each of the contacts in your mapWEIGHT240=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS241=69,2489the atoms involved in each of the contacts you wish to calculateSWITCH241={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4980502426624298}The switching functions to use for each of the contacts in your mapWEIGHT241=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS242=69,2491the atoms involved in each of the contacts you wish to calculateSWITCH242={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.478290319442749}The switching functions to use for each of the contacts in your mapWEIGHT242=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS243=69,2493the atoms involved in each of the contacts you wish to calculateSWITCH243={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5465455651283264}The switching functions to use for each of the contacts in your mapWEIGHT243=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS244=69,2625the atoms involved in each of the contacts you wish to calculateSWITCH244={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5617954730987549}The switching functions to use for each of the contacts in your mapWEIGHT244=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS245=69,2627the atoms involved in each of the contacts you wish to calculateSWITCH245={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42400580644607544}The switching functions to use for each of the contacts in your mapWEIGHT245=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS246=70,119the atoms involved in each of the contacts you wish to calculateSWITCH246={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.32677388191223145}The switching functions to use for each of the contacts in your mapWEIGHT246=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS247=70,121the atoms involved in each of the contacts you wish to calculateSWITCH247={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4037042558193207}The switching functions to use for each of the contacts in your mapWEIGHT247=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS248=70,123the atoms involved in each of the contacts you wish to calculateSWITCH248={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36688151955604553}The switching functions to use for each of the contacts in your mapWEIGHT248=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS249=70,126the atoms involved in each of the contacts you wish to calculateSWITCH249={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5034090876579285}The switching functions to use for each of the contacts in your mapWEIGHT249=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS250=70,128the atoms involved in each of the contacts you wish to calculateSWITCH250={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5942509770393372}The switching functions to use for each of the contacts in your mapWEIGHT250=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS251=70,132the atoms involved in each of the contacts you wish to calculateSWITCH251={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5065158009529114}The switching functions to use for each of the contacts in your mapWEIGHT251=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS252=70,136the atoms involved in each of the contacts you wish to calculateSWITCH252={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5196980834007263}The switching functions to use for each of the contacts in your mapWEIGHT252=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS253=70,138the atoms involved in each of the contacts you wish to calculateSWITCH253={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5132380127906799}The switching functions to use for each of the contacts in your mapWEIGHT253=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS254=70,2484the atoms involved in each of the contacts you wish to calculateSWITCH254={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650851130485535}The switching functions to use for each of the contacts in your mapWEIGHT254=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS255=70,2485the atoms involved in each of the contacts you wish to calculateSWITCH255={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.567402720451355}The switching functions to use for each of the contacts in your mapWEIGHT255=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS256=70,2487the atoms involved in each of the contacts you wish to calculateSWITCH256={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48975709080696106}The switching functions to use for each of the contacts in your mapWEIGHT256=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS257=70,2489the atoms involved in each of the contacts you wish to calculateSWITCH257={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40472182631492615}The switching functions to use for each of the contacts in your mapWEIGHT257=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS258=70,2491the atoms involved in each of the contacts you wish to calculateSWITCH258={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41375279426574707}The switching functions to use for each of the contacts in your mapWEIGHT258=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS259=70,2493the atoms involved in each of the contacts you wish to calculateSWITCH259={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4953722655773163}The switching functions to use for each of the contacts in your mapWEIGHT259=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS260=70,2625the atoms involved in each of the contacts you wish to calculateSWITCH260={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5846248269081116}The switching functions to use for each of the contacts in your mapWEIGHT260=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS261=70,2627the atoms involved in each of the contacts you wish to calculateSWITCH261={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44657471776008606}The switching functions to use for each of the contacts in your mapWEIGHT261=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS262=71,2623the atoms involved in each of the contacts you wish to calculateSWITCH262={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610796809196472}The switching functions to use for each of the contacts in your mapWEIGHT262=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS263=71,2625the atoms involved in each of the contacts you wish to calculateSWITCH263={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5159304141998291}The switching functions to use for each of the contacts in your mapWEIGHT263=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS264=71,2627the atoms involved in each of the contacts you wish to calculateSWITCH264={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40010371804237366}The switching functions to use for each of the contacts in your mapWEIGHT264=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS265=71,2672the atoms involved in each of the contacts you wish to calculateSWITCH265={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5967335104942322}The switching functions to use for each of the contacts in your mapWEIGHT265=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS266=71,2675the atoms involved in each of the contacts you wish to calculateSWITCH266={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5588722825050354}The switching functions to use for each of the contacts in your mapWEIGHT266=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS267=73,138the atoms involved in each of the contacts you wish to calculateSWITCH267={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5169427990913391}The switching functions to use for each of the contacts in your mapWEIGHT267=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS268=73,140the atoms involved in each of the contacts you wish to calculateSWITCH268={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5928582549095154}The switching functions to use for each of the contacts in your mapWEIGHT268=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS269=73,142the atoms involved in each of the contacts you wish to calculateSWITCH269={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5453117489814758}The switching functions to use for each of the contacts in your mapWEIGHT269=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS270=73,145the atoms involved in each of the contacts you wish to calculateSWITCH270={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4934612214565277}The switching functions to use for each of the contacts in your mapWEIGHT270=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS271=73,2623the atoms involved in each of the contacts you wish to calculateSWITCH271={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5388705730438232}The switching functions to use for each of the contacts in your mapWEIGHT271=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS272=73,2625the atoms involved in each of the contacts you wish to calculateSWITCH272={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48216524720191956}The switching functions to use for each of the contacts in your mapWEIGHT272=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS273=73,2627the atoms involved in each of the contacts you wish to calculateSWITCH273={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.395525187253952}The switching functions to use for each of the contacts in your mapWEIGHT273=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS274=73,2636the atoms involved in each of the contacts you wish to calculateSWITCH274={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5975691080093384}The switching functions to use for each of the contacts in your mapWEIGHT274=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS275=73,2672the atoms involved in each of the contacts you wish to calculateSWITCH275={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441213250160217}The switching functions to use for each of the contacts in your mapWEIGHT275=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS276=73,2675the atoms involved in each of the contacts you wish to calculateSWITCH276={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5434494614601135}The switching functions to use for each of the contacts in your mapWEIGHT276=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS277=73,2757the atoms involved in each of the contacts you wish to calculateSWITCH277={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5853456854820251}The switching functions to use for each of the contacts in your mapWEIGHT277=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS278=75,142the atoms involved in each of the contacts you wish to calculateSWITCH278={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5923731327056885}The switching functions to use for each of the contacts in your mapWEIGHT278=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS279=75,145the atoms involved in each of the contacts you wish to calculateSWITCH279={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.538177490234375}The switching functions to use for each of the contacts in your mapWEIGHT279=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS280=75,2621the atoms involved in each of the contacts you wish to calculateSWITCH280={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5939504504203796}The switching functions to use for each of the contacts in your mapWEIGHT280=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS281=75,2623the atoms involved in each of the contacts you wish to calculateSWITCH281={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49890923500061035}The switching functions to use for each of the contacts in your mapWEIGHT281=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS282=75,2625the atoms involved in each of the contacts you wish to calculateSWITCH282={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4806707203388214}The switching functions to use for each of the contacts in your mapWEIGHT282=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS283=75,2627the atoms involved in each of the contacts you wish to calculateSWITCH283={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4315405786037445}The switching functions to use for each of the contacts in your mapWEIGHT283=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS284=75,2635the atoms involved in each of the contacts you wish to calculateSWITCH284={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650139451026917}The switching functions to use for each of the contacts in your mapWEIGHT284=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS285=75,2636the atoms involved in each of the contacts you wish to calculateSWITCH285={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5173834562301636}The switching functions to use for each of the contacts in your mapWEIGHT285=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS286=75,2670the atoms involved in each of the contacts you wish to calculateSWITCH286={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442600250244141}The switching functions to use for each of the contacts in your mapWEIGHT286=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS287=75,2672the atoms involved in each of the contacts you wish to calculateSWITCH287={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3985207974910736}The switching functions to use for each of the contacts in your mapWEIGHT287=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS288=75,2675the atoms involved in each of the contacts you wish to calculateSWITCH288={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41199761629104614}The switching functions to use for each of the contacts in your mapWEIGHT288=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS289=75,2678the atoms involved in each of the contacts you wish to calculateSWITCH289={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5404636859893799}The switching functions to use for each of the contacts in your mapWEIGHT289=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS290=75,2680the atoms involved in each of the contacts you wish to calculateSWITCH290={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5697199702262878}The switching functions to use for each of the contacts in your mapWEIGHT290=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS291=75,2683the atoms involved in each of the contacts you wish to calculateSWITCH291={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5866734385490417}The switching functions to use for each of the contacts in your mapWEIGHT291=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS292=75,2685the atoms involved in each of the contacts you wish to calculateSWITCH292={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5989571213722229}The switching functions to use for each of the contacts in your mapWEIGHT292=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS293=75,2754the atoms involved in each of the contacts you wish to calculateSWITCH293={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5846898555755615}The switching functions to use for each of the contacts in your mapWEIGHT293=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS294=75,2757the atoms involved in each of the contacts you wish to calculateSWITCH294={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4653022587299347}The switching functions to use for each of the contacts in your mapWEIGHT294=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS295=75,2760the atoms involved in each of the contacts you wish to calculateSWITCH295={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5174592137336731}The switching functions to use for each of the contacts in your mapWEIGHT295=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS296=78,138the atoms involved in each of the contacts you wish to calculateSWITCH296={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5944092273712158}The switching functions to use for each of the contacts in your mapWEIGHT296=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS297=78,142the atoms involved in each of the contacts you wish to calculateSWITCH297={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5096914172172546}The switching functions to use for each of the contacts in your mapWEIGHT297=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS298=78,145the atoms involved in each of the contacts you wish to calculateSWITCH298={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44586360454559326}The switching functions to use for each of the contacts in your mapWEIGHT298=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS299=78,148the atoms involved in each of the contacts you wish to calculateSWITCH299={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5882790088653564}The switching functions to use for each of the contacts in your mapWEIGHT299=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS300=78,149the atoms involved in each of the contacts you wish to calculateSWITCH300={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732671022415161}The switching functions to use for each of the contacts in your mapWEIGHT300=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS301=78,2623the atoms involved in each of the contacts you wish to calculateSWITCH301={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5147303938865662}The switching functions to use for each of the contacts in your mapWEIGHT301=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS302=78,2625the atoms involved in each of the contacts you wish to calculateSWITCH302={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48978909850120544}The switching functions to use for each of the contacts in your mapWEIGHT302=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS303=78,2627the atoms involved in each of the contacts you wish to calculateSWITCH303={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4794395864009857}The switching functions to use for each of the contacts in your mapWEIGHT303=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS304=78,2635the atoms involved in each of the contacts you wish to calculateSWITCH304={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5446043014526367}The switching functions to use for each of the contacts in your mapWEIGHT304=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS305=78,2636the atoms involved in each of the contacts you wish to calculateSWITCH305={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4694686532020569}The switching functions to use for each of the contacts in your mapWEIGHT305=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS306=78,2668the atoms involved in each of the contacts you wish to calculateSWITCH306={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5895166397094727}The switching functions to use for each of the contacts in your mapWEIGHT306=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS307=78,2670the atoms involved in each of the contacts you wish to calculateSWITCH307={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5071703791618347}The switching functions to use for each of the contacts in your mapWEIGHT307=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS308=78,2672the atoms involved in each of the contacts you wish to calculateSWITCH308={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38238435983657837}The switching functions to use for each of the contacts in your mapWEIGHT308=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS309=78,2675the atoms involved in each of the contacts you wish to calculateSWITCH309={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44780001044273376}The switching functions to use for each of the contacts in your mapWEIGHT309=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS310=78,2678the atoms involved in each of the contacts you wish to calculateSWITCH310={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822161436080933}The switching functions to use for each of the contacts in your mapWEIGHT310=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS311=78,2683the atoms involved in each of the contacts you wish to calculateSWITCH311={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5102418661117554}The switching functions to use for each of the contacts in your mapWEIGHT311=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS312=78,2684the atoms involved in each of the contacts you wish to calculateSWITCH312={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5579791069030762}The switching functions to use for each of the contacts in your mapWEIGHT312=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS313=78,2685the atoms involved in each of the contacts you wish to calculateSWITCH313={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.509981095790863}The switching functions to use for each of the contacts in your mapWEIGHT313=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS314=78,2687the atoms involved in each of the contacts you wish to calculateSWITCH314={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681637525558472}The switching functions to use for each of the contacts in your mapWEIGHT314=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS315=78,2751the atoms involved in each of the contacts you wish to calculateSWITCH315={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5078712701797485}The switching functions to use for each of the contacts in your mapWEIGHT315=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS316=78,2754the atoms involved in each of the contacts you wish to calculateSWITCH316={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49254167079925537}The switching functions to use for each of the contacts in your mapWEIGHT316=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS317=78,2757the atoms involved in each of the contacts you wish to calculateSWITCH317={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40187209844589233}The switching functions to use for each of the contacts in your mapWEIGHT317=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS318=78,2760the atoms involved in each of the contacts you wish to calculateSWITCH318={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49101224541664124}The switching functions to use for each of the contacts in your mapWEIGHT318=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS319=79,142the atoms involved in each of the contacts you wish to calculateSWITCH319={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5647750496864319}The switching functions to use for each of the contacts in your mapWEIGHT319=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS320=79,145the atoms involved in each of the contacts you wish to calculateSWITCH320={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47190043330192566}The switching functions to use for each of the contacts in your mapWEIGHT320=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS321=79,148the atoms involved in each of the contacts you wish to calculateSWITCH321={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5821287631988525}The switching functions to use for each of the contacts in your mapWEIGHT321=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS322=79,149the atoms involved in each of the contacts you wish to calculateSWITCH322={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.540130615234375}The switching functions to use for each of the contacts in your mapWEIGHT322=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS323=79,656the atoms involved in each of the contacts you wish to calculateSWITCH323={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750181674957275}The switching functions to use for each of the contacts in your mapWEIGHT323=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS324=79,658the atoms involved in each of the contacts you wish to calculateSWITCH324={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793154835700989}The switching functions to use for each of the contacts in your mapWEIGHT324=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS325=79,2621the atoms involved in each of the contacts you wish to calculateSWITCH325={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5699335932731628}The switching functions to use for each of the contacts in your mapWEIGHT325=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS326=79,2623the atoms involved in each of the contacts you wish to calculateSWITCH326={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43549710512161255}The switching functions to use for each of the contacts in your mapWEIGHT326=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS327=79,2625the atoms involved in each of the contacts you wish to calculateSWITCH327={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42063960433006287}The switching functions to use for each of the contacts in your mapWEIGHT327=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS328=79,2627the atoms involved in each of the contacts you wish to calculateSWITCH328={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45383113622665405}The switching functions to use for each of the contacts in your mapWEIGHT328=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS329=79,2631the atoms involved in each of the contacts you wish to calculateSWITCH329={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5564976930618286}The switching functions to use for each of the contacts in your mapWEIGHT329=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS330=79,2635the atoms involved in each of the contacts you wish to calculateSWITCH330={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4346681237220764}The switching functions to use for each of the contacts in your mapWEIGHT330=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS331=79,2636the atoms involved in each of the contacts you wish to calculateSWITCH331={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.345342218875885}The switching functions to use for each of the contacts in your mapWEIGHT331=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS332=79,2637the atoms involved in each of the contacts you wish to calculateSWITCH332={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5585058927536011}The switching functions to use for each of the contacts in your mapWEIGHT332=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS333=79,2668the atoms involved in each of the contacts you wish to calculateSWITCH333={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5056917667388916}The switching functions to use for each of the contacts in your mapWEIGHT333=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS334=79,2670the atoms involved in each of the contacts you wish to calculateSWITCH334={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43737632036209106}The switching functions to use for each of the contacts in your mapWEIGHT334=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS335=79,2672the atoms involved in each of the contacts you wish to calculateSWITCH335={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3410423994064331}The switching functions to use for each of the contacts in your mapWEIGHT335=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS336=79,2675the atoms involved in each of the contacts you wish to calculateSWITCH336={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4256419837474823}The switching functions to use for each of the contacts in your mapWEIGHT336=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS337=79,2678the atoms involved in each of the contacts you wish to calculateSWITCH337={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5683361291885376}The switching functions to use for each of the contacts in your mapWEIGHT337=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS338=79,2683the atoms involved in each of the contacts you wish to calculateSWITCH338={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42028674483299255}The switching functions to use for each of the contacts in your mapWEIGHT338=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS339=79,2684the atoms involved in each of the contacts you wish to calculateSWITCH339={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4826538860797882}The switching functions to use for each of the contacts in your mapWEIGHT339=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS340=79,2685the atoms involved in each of the contacts you wish to calculateSWITCH340={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3930025100708008}The switching functions to use for each of the contacts in your mapWEIGHT340=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS341=79,2687the atoms involved in each of the contacts you wish to calculateSWITCH341={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4459441602230072}The switching functions to use for each of the contacts in your mapWEIGHT341=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS342=79,2689the atoms involved in each of the contacts you wish to calculateSWITCH342={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48267608880996704}The switching functions to use for each of the contacts in your mapWEIGHT342=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS343=79,2692the atoms involved in each of the contacts you wish to calculateSWITCH343={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4962373971939087}The switching functions to use for each of the contacts in your mapWEIGHT343=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS344=79,2707the atoms involved in each of the contacts you wish to calculateSWITCH344={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5896116495132446}The switching functions to use for each of the contacts in your mapWEIGHT344=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS345=79,2748the atoms involved in each of the contacts you wish to calculateSWITCH345={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5747185349464417}The switching functions to use for each of the contacts in your mapWEIGHT345=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS346=79,2751the atoms involved in each of the contacts you wish to calculateSWITCH346={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49213916063308716}The switching functions to use for each of the contacts in your mapWEIGHT346=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS347=79,2754the atoms involved in each of the contacts you wish to calculateSWITCH347={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181862115859985}The switching functions to use for each of the contacts in your mapWEIGHT347=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS348=79,2757the atoms involved in each of the contacts you wish to calculateSWITCH348={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4578000009059906}The switching functions to use for each of the contacts in your mapWEIGHT348=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS349=79,2760the atoms involved in each of the contacts you wish to calculateSWITCH349={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5521382689476013}The switching functions to use for each of the contacts in your mapWEIGHT349=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS350=81,142the atoms involved in each of the contacts you wish to calculateSWITCH350={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5416521430015564}The switching functions to use for each of the contacts in your mapWEIGHT350=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS351=81,145the atoms involved in each of the contacts you wish to calculateSWITCH351={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4500156044960022}The switching functions to use for each of the contacts in your mapWEIGHT351=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS352=81,148the atoms involved in each of the contacts you wish to calculateSWITCH352={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5463861227035522}The switching functions to use for each of the contacts in your mapWEIGHT352=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS353=81,149the atoms involved in each of the contacts you wish to calculateSWITCH353={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5240314602851868}The switching functions to use for each of the contacts in your mapWEIGHT353=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS354=81,588the atoms involved in each of the contacts you wish to calculateSWITCH354={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.54373699426651}The switching functions to use for each of the contacts in your mapWEIGHT354=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS355=81,655the atoms involved in each of the contacts you wish to calculateSWITCH355={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5999292135238647}The switching functions to use for each of the contacts in your mapWEIGHT355=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS356=81,656the atoms involved in each of the contacts you wish to calculateSWITCH356={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5315840244293213}The switching functions to use for each of the contacts in your mapWEIGHT356=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS357=81,658the atoms involved in each of the contacts you wish to calculateSWITCH357={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545782208442688}The switching functions to use for each of the contacts in your mapWEIGHT357=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS358=81,2623the atoms involved in each of the contacts you wish to calculateSWITCH358={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294727683067322}The switching functions to use for each of the contacts in your mapWEIGHT358=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS359=81,2625the atoms involved in each of the contacts you wish to calculateSWITCH359={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.512668788433075}The switching functions to use for each of the contacts in your mapWEIGHT359=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS360=81,2627the atoms involved in each of the contacts you wish to calculateSWITCH360={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677062273025513}The switching functions to use for each of the contacts in your mapWEIGHT360=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS361=81,2635the atoms involved in each of the contacts you wish to calculateSWITCH361={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49387872219085693}The switching functions to use for each of the contacts in your mapWEIGHT361=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS362=81,2636the atoms involved in each of the contacts you wish to calculateSWITCH362={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38456884026527405}The switching functions to use for each of the contacts in your mapWEIGHT362=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS363=81,2668the atoms involved in each of the contacts you wish to calculateSWITCH363={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5414721965789795}The switching functions to use for each of the contacts in your mapWEIGHT363=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS364=81,2670the atoms involved in each of the contacts you wish to calculateSWITCH364={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613306224346161}The switching functions to use for each of the contacts in your mapWEIGHT364=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS365=81,2672the atoms involved in each of the contacts you wish to calculateSWITCH365={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40188300609588623}The switching functions to use for each of the contacts in your mapWEIGHT365=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS366=81,2675the atoms involved in each of the contacts you wish to calculateSWITCH366={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5175354480743408}The switching functions to use for each of the contacts in your mapWEIGHT366=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS367=81,2683the atoms involved in each of the contacts you wish to calculateSWITCH367={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3963698148727417}The switching functions to use for each of the contacts in your mapWEIGHT367=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS368=81,2684the atoms involved in each of the contacts you wish to calculateSWITCH368={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4353240430355072}The switching functions to use for each of the contacts in your mapWEIGHT368=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS369=81,2685the atoms involved in each of the contacts you wish to calculateSWITCH369={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35531818866729736}The switching functions to use for each of the contacts in your mapWEIGHT369=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS370=81,2687the atoms involved in each of the contacts you wish to calculateSWITCH370={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3645520508289337}The switching functions to use for each of the contacts in your mapWEIGHT370=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS371=81,2689the atoms involved in each of the contacts you wish to calculateSWITCH371={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40052488446235657}The switching functions to use for each of the contacts in your mapWEIGHT371=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS372=81,2692the atoms involved in each of the contacts you wish to calculateSWITCH372={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38619619607925415}The switching functions to use for each of the contacts in your mapWEIGHT372=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS373=81,2695the atoms involved in each of the contacts you wish to calculateSWITCH373={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5229702591896057}The switching functions to use for each of the contacts in your mapWEIGHT373=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS374=81,2698the atoms involved in each of the contacts you wish to calculateSWITCH374={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5706301927566528}The switching functions to use for each of the contacts in your mapWEIGHT374=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS375=81,2700the atoms involved in each of the contacts you wish to calculateSWITCH375={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5851844549179077}The switching functions to use for each of the contacts in your mapWEIGHT375=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS376=81,2701the atoms involved in each of the contacts you wish to calculateSWITCH376={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488705039024353}The switching functions to use for each of the contacts in your mapWEIGHT376=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS377=81,2707the atoms involved in each of the contacts you wish to calculateSWITCH377={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5017110705375671}The switching functions to use for each of the contacts in your mapWEIGHT377=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS378=81,2708the atoms involved in each of the contacts you wish to calculateSWITCH378={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5307138562202454}The switching functions to use for each of the contacts in your mapWEIGHT378=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS379=81,2748the atoms involved in each of the contacts you wish to calculateSWITCH379={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4757833778858185}The switching functions to use for each of the contacts in your mapWEIGHT379=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS380=81,2751the atoms involved in each of the contacts you wish to calculateSWITCH380={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4239305853843689}The switching functions to use for each of the contacts in your mapWEIGHT380=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS381=81,2754the atoms involved in each of the contacts you wish to calculateSWITCH381={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4678516983985901}The switching functions to use for each of the contacts in your mapWEIGHT381=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS382=81,2757the atoms involved in each of the contacts you wish to calculateSWITCH382={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44923606514930725}The switching functions to use for each of the contacts in your mapWEIGHT382=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS383=81,2760the atoms involved in each of the contacts you wish to calculateSWITCH383={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5654280781745911}The switching functions to use for each of the contacts in your mapWEIGHT383=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS384=83,142the atoms involved in each of the contacts you wish to calculateSWITCH384={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4665299952030182}The switching functions to use for each of the contacts in your mapWEIGHT384=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS385=83,145the atoms involved in each of the contacts you wish to calculateSWITCH385={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40642261505126953}The switching functions to use for each of the contacts in your mapWEIGHT385=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS386=83,148the atoms involved in each of the contacts you wish to calculateSWITCH386={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5204278230667114}The switching functions to use for each of the contacts in your mapWEIGHT386=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS387=83,149the atoms involved in each of the contacts you wish to calculateSWITCH387={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5454781651496887}The switching functions to use for each of the contacts in your mapWEIGHT387=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS388=83,588the atoms involved in each of the contacts you wish to calculateSWITCH388={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452443391084671}The switching functions to use for each of the contacts in your mapWEIGHT388=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS389=83,2636the atoms involved in each of the contacts you wish to calculateSWITCH389={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5242083668708801}The switching functions to use for each of the contacts in your mapWEIGHT389=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS390=83,2670the atoms involved in each of the contacts you wish to calculateSWITCH390={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467894673347473}The switching functions to use for each of the contacts in your mapWEIGHT390=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS391=83,2672the atoms involved in each of the contacts you wish to calculateSWITCH391={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4871581196784973}The switching functions to use for each of the contacts in your mapWEIGHT391=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS392=83,2683the atoms involved in each of the contacts you wish to calculateSWITCH392={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46871936321258545}The switching functions to use for each of the contacts in your mapWEIGHT392=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS393=83,2684the atoms involved in each of the contacts you wish to calculateSWITCH393={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.472755491733551}The switching functions to use for each of the contacts in your mapWEIGHT393=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS394=83,2685the atoms involved in each of the contacts you wish to calculateSWITCH394={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44844380021095276}The switching functions to use for each of the contacts in your mapWEIGHT394=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS395=83,2687the atoms involved in each of the contacts you wish to calculateSWITCH395={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43351006507873535}The switching functions to use for each of the contacts in your mapWEIGHT395=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS396=83,2689the atoms involved in each of the contacts you wish to calculateSWITCH396={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4815652370452881}The switching functions to use for each of the contacts in your mapWEIGHT396=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS397=83,2692the atoms involved in each of the contacts you wish to calculateSWITCH397={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43436673283576965}The switching functions to use for each of the contacts in your mapWEIGHT397=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS398=83,2695the atoms involved in each of the contacts you wish to calculateSWITCH398={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467674732208252}The switching functions to use for each of the contacts in your mapWEIGHT398=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS399=83,2698the atoms involved in each of the contacts you wish to calculateSWITCH399={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619409680366516}The switching functions to use for each of the contacts in your mapWEIGHT399=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS400=83,2700the atoms involved in each of the contacts you wish to calculateSWITCH400={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5459465384483337}The switching functions to use for each of the contacts in your mapWEIGHT400=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS401=83,2701the atoms involved in each of the contacts you wish to calculateSWITCH401={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5026307702064514}The switching functions to use for each of the contacts in your mapWEIGHT401=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS402=83,2707the atoms involved in each of the contacts you wish to calculateSWITCH402={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5471769571304321}The switching functions to use for each of the contacts in your mapWEIGHT402=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS403=83,2708the atoms involved in each of the contacts you wish to calculateSWITCH403={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5455179214477539}The switching functions to use for each of the contacts in your mapWEIGHT403=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS404=83,2746the atoms involved in each of the contacts you wish to calculateSWITCH404={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5585586428642273}The switching functions to use for each of the contacts in your mapWEIGHT404=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS405=83,2748the atoms involved in each of the contacts you wish to calculateSWITCH405={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40934649109840393}The switching functions to use for each of the contacts in your mapWEIGHT405=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS406=83,2751the atoms involved in each of the contacts you wish to calculateSWITCH406={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36932888627052307}The switching functions to use for each of the contacts in your mapWEIGHT406=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS407=83,2754the atoms involved in each of the contacts you wish to calculateSWITCH407={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3862769305706024}The switching functions to use for each of the contacts in your mapWEIGHT407=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS408=83,2757the atoms involved in each of the contacts you wish to calculateSWITCH408={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39055579900741577}The switching functions to use for each of the contacts in your mapWEIGHT408=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS409=83,2760the atoms involved in each of the contacts you wish to calculateSWITCH409={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5269608497619629}The switching functions to use for each of the contacts in your mapWEIGHT409=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS410=84,142the atoms involved in each of the contacts you wish to calculateSWITCH410={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181082487106323}The switching functions to use for each of the contacts in your mapWEIGHT410=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS411=84,145the atoms involved in each of the contacts you wish to calculateSWITCH411={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46642592549324036}The switching functions to use for each of the contacts in your mapWEIGHT411=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS412=84,148the atoms involved in each of the contacts you wish to calculateSWITCH412={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5524062514305115}The switching functions to use for each of the contacts in your mapWEIGHT412=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS413=84,149the atoms involved in each of the contacts you wish to calculateSWITCH413={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918530821800232}The switching functions to use for each of the contacts in your mapWEIGHT413=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS414=84,586the atoms involved in each of the contacts you wish to calculateSWITCH414={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5245013236999512}The switching functions to use for each of the contacts in your mapWEIGHT414=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS415=84,588the atoms involved in each of the contacts you wish to calculateSWITCH415={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3791157007217407}The switching functions to use for each of the contacts in your mapWEIGHT415=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS416=84,592the atoms involved in each of the contacts you wish to calculateSWITCH416={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5582054853439331}The switching functions to use for each of the contacts in your mapWEIGHT416=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS417=84,2636the atoms involved in each of the contacts you wish to calculateSWITCH417={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5904563665390015}The switching functions to use for each of the contacts in your mapWEIGHT417=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS418=84,2672the atoms involved in each of the contacts you wish to calculateSWITCH418={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5712877511978149}The switching functions to use for each of the contacts in your mapWEIGHT418=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS419=84,2683the atoms involved in each of the contacts you wish to calculateSWITCH419={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4928593337535858}The switching functions to use for each of the contacts in your mapWEIGHT419=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS420=84,2684the atoms involved in each of the contacts you wish to calculateSWITCH420={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47303307056427}The switching functions to use for each of the contacts in your mapWEIGHT420=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS421=84,2685the atoms involved in each of the contacts you wish to calculateSWITCH421={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4656953513622284}The switching functions to use for each of the contacts in your mapWEIGHT421=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS422=84,2687the atoms involved in each of the contacts you wish to calculateSWITCH422={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41042545437812805}The switching functions to use for each of the contacts in your mapWEIGHT422=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS423=84,2689the atoms involved in each of the contacts you wish to calculateSWITCH423={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45511651039123535}The switching functions to use for each of the contacts in your mapWEIGHT423=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS424=84,2692the atoms involved in each of the contacts you wish to calculateSWITCH424={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38046836853027344}The switching functions to use for each of the contacts in your mapWEIGHT424=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS425=84,2695the atoms involved in each of the contacts you wish to calculateSWITCH425={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4625239968299866}The switching functions to use for each of the contacts in your mapWEIGHT425=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS426=84,2698the atoms involved in each of the contacts you wish to calculateSWITCH426={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45681431889533997}The switching functions to use for each of the contacts in your mapWEIGHT426=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS427=84,2700the atoms involved in each of the contacts you wish to calculateSWITCH427={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42154377698898315}The switching functions to use for each of the contacts in your mapWEIGHT427=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS428=84,2701the atoms involved in each of the contacts you wish to calculateSWITCH428={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37417587637901306}The switching functions to use for each of the contacts in your mapWEIGHT428=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS429=84,2704the atoms involved in each of the contacts you wish to calculateSWITCH429={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.490617960691452}The switching functions to use for each of the contacts in your mapWEIGHT429=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS430=84,2707the atoms involved in each of the contacts you wish to calculateSWITCH430={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49735379219055176}The switching functions to use for each of the contacts in your mapWEIGHT430=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS431=84,2708the atoms involved in each of the contacts you wish to calculateSWITCH431={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4686724543571472}The switching functions to use for each of the contacts in your mapWEIGHT431=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS432=84,2744the atoms involved in each of the contacts you wish to calculateSWITCH432={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545315682888031}The switching functions to use for each of the contacts in your mapWEIGHT432=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS433=84,2746the atoms involved in each of the contacts you wish to calculateSWITCH433={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.486417680978775}The switching functions to use for each of the contacts in your mapWEIGHT433=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS434=84,2748the atoms involved in each of the contacts you wish to calculateSWITCH434={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.342935711145401}The switching functions to use for each of the contacts in your mapWEIGHT434=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS435=84,2751the atoms involved in each of the contacts you wish to calculateSWITCH435={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.35619962215423584}The switching functions to use for each of the contacts in your mapWEIGHT435=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS436=84,2754the atoms involved in each of the contacts you wish to calculateSWITCH436={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3954367935657501}The switching functions to use for each of the contacts in your mapWEIGHT436=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS437=84,2757the atoms involved in each of the contacts you wish to calculateSWITCH437={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4483729898929596}The switching functions to use for each of the contacts in your mapWEIGHT437=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS438=84,2760the atoms involved in each of the contacts you wish to calculateSWITCH438={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5877571702003479}The switching functions to use for each of the contacts in your mapWEIGHT438=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS439=84,2764the atoms involved in each of the contacts you wish to calculateSWITCH439={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5380826592445374}The switching functions to use for each of the contacts in your mapWEIGHT439=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS440=84,2765the atoms involved in each of the contacts you wish to calculateSWITCH440={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5884220600128174}The switching functions to use for each of the contacts in your mapWEIGHT440=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS441=84,2766the atoms involved in each of the contacts you wish to calculateSWITCH441={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5860067009925842}The switching functions to use for each of the contacts in your mapWEIGHT441=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS442=86,138the atoms involved in each of the contacts you wish to calculateSWITCH442={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5727925896644592}The switching functions to use for each of the contacts in your mapWEIGHT442=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS443=86,140the atoms involved in each of the contacts you wish to calculateSWITCH443={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.534735918045044}The switching functions to use for each of the contacts in your mapWEIGHT443=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS444=86,142the atoms involved in each of the contacts you wish to calculateSWITCH444={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39604830741882324}The switching functions to use for each of the contacts in your mapWEIGHT444=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS445=86,145the atoms involved in each of the contacts you wish to calculateSWITCH445={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3724907636642456}The switching functions to use for each of the contacts in your mapWEIGHT445=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS446=86,148the atoms involved in each of the contacts you wish to calculateSWITCH446={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5237529277801514}The switching functions to use for each of the contacts in your mapWEIGHT446=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS447=86,149the atoms involved in each of the contacts you wish to calculateSWITCH447={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5737337470054626}The switching functions to use for each of the contacts in your mapWEIGHT447=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS448=86,588the atoms involved in each of the contacts you wish to calculateSWITCH448={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49542808532714844}The switching functions to use for each of the contacts in your mapWEIGHT448=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS449=86,2672the atoms involved in each of the contacts you wish to calculateSWITCH449={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181207060813904}The switching functions to use for each of the contacts in your mapWEIGHT449=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS450=86,2683the atoms involved in each of the contacts you wish to calculateSWITCH450={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5538716316223145}The switching functions to use for each of the contacts in your mapWEIGHT450=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS451=86,2684the atoms involved in each of the contacts you wish to calculateSWITCH451={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5540555715560913}The switching functions to use for each of the contacts in your mapWEIGHT451=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS452=86,2685the atoms involved in each of the contacts you wish to calculateSWITCH452={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.555828869342804}The switching functions to use for each of the contacts in your mapWEIGHT452=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS453=86,2687the atoms involved in each of the contacts you wish to calculateSWITCH453={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610818266868591}The switching functions to use for each of the contacts in your mapWEIGHT453=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS454=86,2692the atoms involved in each of the contacts you wish to calculateSWITCH454={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742668509483337}The switching functions to use for each of the contacts in your mapWEIGHT454=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS455=86,2748the atoms involved in each of the contacts you wish to calculateSWITCH455={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4665903151035309}The switching functions to use for each of the contacts in your mapWEIGHT455=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS456=86,2751the atoms involved in each of the contacts you wish to calculateSWITCH456={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3981982469558716}The switching functions to use for each of the contacts in your mapWEIGHT456=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS457=86,2754the atoms involved in each of the contacts you wish to calculateSWITCH457={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3600442409515381}The switching functions to use for each of the contacts in your mapWEIGHT457=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS458=86,2757the atoms involved in each of the contacts you wish to calculateSWITCH458={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33039960265159607}The switching functions to use for each of the contacts in your mapWEIGHT458=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS459=86,2760the atoms involved in each of the contacts you wish to calculateSWITCH459={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4682369530200958}The switching functions to use for each of the contacts in your mapWEIGHT459=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS460=88,138the atoms involved in each of the contacts you wish to calculateSWITCH460={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5392485857009888}The switching functions to use for each of the contacts in your mapWEIGHT460=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS461=88,140the atoms involved in each of the contacts you wish to calculateSWITCH461={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5357913374900818}The switching functions to use for each of the contacts in your mapWEIGHT461=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS462=88,142the atoms involved in each of the contacts you wish to calculateSWITCH462={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4214003086090088}The switching functions to use for each of the contacts in your mapWEIGHT462=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS463=88,145the atoms involved in each of the contacts you wish to calculateSWITCH463={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39427056908607483}The switching functions to use for each of the contacts in your mapWEIGHT463=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS464=88,148the atoms involved in each of the contacts you wish to calculateSWITCH464={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5583431124687195}The switching functions to use for each of the contacts in your mapWEIGHT464=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS465=88,149the atoms involved in each of the contacts you wish to calculateSWITCH465={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5872716903686523}The switching functions to use for each of the contacts in your mapWEIGHT465=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS466=88,2636the atoms involved in each of the contacts you wish to calculateSWITCH466={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5896012783050537}The switching functions to use for each of the contacts in your mapWEIGHT466=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS467=88,2670the atoms involved in each of the contacts you wish to calculateSWITCH467={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.589590311050415}The switching functions to use for each of the contacts in your mapWEIGHT467=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS468=88,2672the atoms involved in each of the contacts you wish to calculateSWITCH468={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47330838441848755}The switching functions to use for each of the contacts in your mapWEIGHT468=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS469=88,2675the atoms involved in each of the contacts you wish to calculateSWITCH469={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550546646118164}The switching functions to use for each of the contacts in your mapWEIGHT469=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS470=88,2683the atoms involved in each of the contacts you wish to calculateSWITCH470={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5727057456970215}The switching functions to use for each of the contacts in your mapWEIGHT470=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS471=88,2684the atoms involved in each of the contacts you wish to calculateSWITCH471={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5929535031318665}The switching functions to use for each of the contacts in your mapWEIGHT471=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS472=88,2685the atoms involved in each of the contacts you wish to calculateSWITCH472={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5825098752975464}The switching functions to use for each of the contacts in your mapWEIGHT472=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS473=88,2748the atoms involved in each of the contacts you wish to calculateSWITCH473={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5659726858139038}The switching functions to use for each of the contacts in your mapWEIGHT473=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS474=88,2751the atoms involved in each of the contacts you wish to calculateSWITCH474={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46849381923675537}The switching functions to use for each of the contacts in your mapWEIGHT474=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS475=88,2754the atoms involved in each of the contacts you wish to calculateSWITCH475={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4199410080909729}The switching functions to use for each of the contacts in your mapWEIGHT475=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS476=88,2757the atoms involved in each of the contacts you wish to calculateSWITCH476={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33747634291648865}The switching functions to use for each of the contacts in your mapWEIGHT476=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS477=88,2760the atoms involved in each of the contacts you wish to calculateSWITCH477={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44873398542404175}The switching functions to use for each of the contacts in your mapWEIGHT477=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS478=90,138the atoms involved in each of the contacts you wish to calculateSWITCH478={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40416571497917175}The switching functions to use for each of the contacts in your mapWEIGHT478=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS479=90,140the atoms involved in each of the contacts you wish to calculateSWITCH479={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47823941707611084}The switching functions to use for each of the contacts in your mapWEIGHT479=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS480=90,142the atoms involved in each of the contacts you wish to calculateSWITCH480={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44766372442245483}The switching functions to use for each of the contacts in your mapWEIGHT480=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS481=90,145the atoms involved in each of the contacts you wish to calculateSWITCH481={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43440765142440796}The switching functions to use for each of the contacts in your mapWEIGHT481=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS482=90,148the atoms involved in each of the contacts you wish to calculateSWITCH482={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5890856385231018}The switching functions to use for each of the contacts in your mapWEIGHT482=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS483=90,153the atoms involved in each of the contacts you wish to calculateSWITCH483={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5648121237754822}The switching functions to use for each of the contacts in your mapWEIGHT483=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS484=90,155the atoms involved in each of the contacts you wish to calculateSWITCH484={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5646530389785767}The switching functions to use for each of the contacts in your mapWEIGHT484=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS485=90,2627the atoms involved in each of the contacts you wish to calculateSWITCH485={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5270809531211853}The switching functions to use for each of the contacts in your mapWEIGHT485=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS486=90,2757the atoms involved in each of the contacts you wish to calculateSWITCH486={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822690725326538}The switching functions to use for each of the contacts in your mapWEIGHT486=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS487=91,138the atoms involved in each of the contacts you wish to calculateSWITCH487={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2861013412475586}The switching functions to use for each of the contacts in your mapWEIGHT487=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS488=91,140the atoms involved in each of the contacts you wish to calculateSWITCH488={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36595481634140015}The switching functions to use for each of the contacts in your mapWEIGHT488=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS489=91,142the atoms involved in each of the contacts you wish to calculateSWITCH489={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3498125374317169}The switching functions to use for each of the contacts in your mapWEIGHT489=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS490=91,145the atoms involved in each of the contacts you wish to calculateSWITCH490={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33623504638671875}The switching functions to use for each of the contacts in your mapWEIGHT490=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS491=91,148the atoms involved in each of the contacts you wish to calculateSWITCH491={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4832639992237091}The switching functions to use for each of the contacts in your mapWEIGHT491=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS492=91,149the atoms involved in each of the contacts you wish to calculateSWITCH492={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5099128484725952}The switching functions to use for each of the contacts in your mapWEIGHT492=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS493=91,153the atoms involved in each of the contacts you wish to calculateSWITCH493={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4668669104576111}The switching functions to use for each of the contacts in your mapWEIGHT493=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS494=91,154the atoms involved in each of the contacts you wish to calculateSWITCH494={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5712242126464844}The switching functions to use for each of the contacts in your mapWEIGHT494=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS495=91,155the atoms involved in each of the contacts you wish to calculateSWITCH495={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4810165762901306}The switching functions to use for each of the contacts in your mapWEIGHT495=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS496=91,2627the atoms involved in each of the contacts you wish to calculateSWITCH496={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5493146777153015}The switching functions to use for each of the contacts in your mapWEIGHT496=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS497=92,155the atoms involved in each of the contacts you wish to calculateSWITCH497={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5661045908927917}The switching functions to use for each of the contacts in your mapWEIGHT497=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS498=92,174the atoms involved in each of the contacts you wish to calculateSWITCH498={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5921573638916016}The switching functions to use for each of the contacts in your mapWEIGHT498=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS499=92,2757the atoms involved in each of the contacts you wish to calculateSWITCH499={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5667011141777039}The switching functions to use for each of the contacts in your mapWEIGHT499=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS500=94,155the atoms involved in each of the contacts you wish to calculateSWITCH500={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45887503027915955}The switching functions to use for each of the contacts in your mapWEIGHT500=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS501=94,157the atoms involved in each of the contacts you wish to calculateSWITCH501={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5494769811630249}The switching functions to use for each of the contacts in your mapWEIGHT501=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS502=94,159the atoms involved in each of the contacts you wish to calculateSWITCH502={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5092144012451172}The switching functions to use for each of the contacts in your mapWEIGHT502=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS503=94,168the atoms involved in each of the contacts you wish to calculateSWITCH503={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5679211616516113}The switching functions to use for each of the contacts in your mapWEIGHT503=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS504=94,170the atoms involved in each of the contacts you wish to calculateSWITCH504={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5132041573524475}The switching functions to use for each of the contacts in your mapWEIGHT504=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS505=94,171the atoms involved in each of the contacts you wish to calculateSWITCH505={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5216459631919861}The switching functions to use for each of the contacts in your mapWEIGHT505=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS506=94,174the atoms involved in each of the contacts you wish to calculateSWITCH506={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47216758131980896}The switching functions to use for each of the contacts in your mapWEIGHT506=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS507=96,155the atoms involved in each of the contacts you wish to calculateSWITCH507={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432514548301697}The switching functions to use for each of the contacts in your mapWEIGHT507=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS508=96,159the atoms involved in each of the contacts you wish to calculateSWITCH508={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5297747254371643}The switching functions to use for each of the contacts in your mapWEIGHT508=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS509=96,168the atoms involved in each of the contacts you wish to calculateSWITCH509={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5091822743415833}The switching functions to use for each of the contacts in your mapWEIGHT509=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS510=96,170the atoms involved in each of the contacts you wish to calculateSWITCH510={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43667906522750854}The switching functions to use for each of the contacts in your mapWEIGHT510=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS511=96,171the atoms involved in each of the contacts you wish to calculateSWITCH511={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4618470370769501}The switching functions to use for each of the contacts in your mapWEIGHT511=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS512=96,174the atoms involved in each of the contacts you wish to calculateSWITCH512={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3635963797569275}The switching functions to use for each of the contacts in your mapWEIGHT512=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS513=96,2757the atoms involved in each of the contacts you wish to calculateSWITCH513={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5959517955780029}The switching functions to use for each of the contacts in your mapWEIGHT513=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS514=99,168the atoms involved in each of the contacts you wish to calculateSWITCH514={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5477171540260315}The switching functions to use for each of the contacts in your mapWEIGHT514=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS515=99,170the atoms involved in each of the contacts you wish to calculateSWITCH515={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4438354969024658}The switching functions to use for each of the contacts in your mapWEIGHT515=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS516=99,171the atoms involved in each of the contacts you wish to calculateSWITCH516={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44028180837631226}The switching functions to use for each of the contacts in your mapWEIGHT516=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS517=99,174the atoms involved in each of the contacts you wish to calculateSWITCH517={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36500120162963867}The switching functions to use for each of the contacts in your mapWEIGHT517=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS518=99,2754the atoms involved in each of the contacts you wish to calculateSWITCH518={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5956257581710815}The switching functions to use for each of the contacts in your mapWEIGHT518=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS519=99,2757the atoms involved in each of the contacts you wish to calculateSWITCH519={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47336891293525696}The switching functions to use for each of the contacts in your mapWEIGHT519=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS520=99,2760the atoms involved in each of the contacts you wish to calculateSWITCH520={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4808410704135895}The switching functions to use for each of the contacts in your mapWEIGHT520=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS521=102,159the atoms involved in each of the contacts you wish to calculateSWITCH521={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5913870930671692}The switching functions to use for each of the contacts in your mapWEIGHT521=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS522=102,165the atoms involved in each of the contacts you wish to calculateSWITCH522={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5699501037597656}The switching functions to use for each of the contacts in your mapWEIGHT522=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS523=102,168the atoms involved in each of the contacts you wish to calculateSWITCH523={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4735928773880005}The switching functions to use for each of the contacts in your mapWEIGHT523=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS524=102,170the atoms involved in each of the contacts you wish to calculateSWITCH524={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3542570471763611}The switching functions to use for each of the contacts in your mapWEIGHT524=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS525=102,171the atoms involved in each of the contacts you wish to calculateSWITCH525={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.315775603055954}The switching functions to use for each of the contacts in your mapWEIGHT525=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS526=102,174the atoms involved in each of the contacts you wish to calculateSWITCH526={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.30804234743118286}The switching functions to use for each of the contacts in your mapWEIGHT526=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS527=102,2754the atoms involved in each of the contacts you wish to calculateSWITCH527={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5231195092201233}The switching functions to use for each of the contacts in your mapWEIGHT527=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS528=102,2757the atoms involved in each of the contacts you wish to calculateSWITCH528={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4302116334438324}The switching functions to use for each of the contacts in your mapWEIGHT528=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS529=102,2760the atoms involved in each of the contacts you wish to calculateSWITCH529={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4583602845668793}The switching functions to use for each of the contacts in your mapWEIGHT529=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS530=103,155the atoms involved in each of the contacts you wish to calculateSWITCH530={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5466897487640381}The switching functions to use for each of the contacts in your mapWEIGHT530=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS531=103,159the atoms involved in each of the contacts you wish to calculateSWITCH531={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5693301558494568}The switching functions to use for each of the contacts in your mapWEIGHT531=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS532=103,165the atoms involved in each of the contacts you wish to calculateSWITCH532={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5539757013320923}The switching functions to use for each of the contacts in your mapWEIGHT532=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS533=103,168the atoms involved in each of the contacts you wish to calculateSWITCH533={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4865944981575012}The switching functions to use for each of the contacts in your mapWEIGHT533=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS534=103,170the atoms involved in each of the contacts you wish to calculateSWITCH534={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3769615590572357}The switching functions to use for each of the contacts in your mapWEIGHT534=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS535=103,171the atoms involved in each of the contacts you wish to calculateSWITCH535={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3029952049255371}The switching functions to use for each of the contacts in your mapWEIGHT535=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS536=103,174the atoms involved in each of the contacts you wish to calculateSWITCH536={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3736926317214966}The switching functions to use for each of the contacts in your mapWEIGHT536=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS537=103,2754the atoms involved in each of the contacts you wish to calculateSWITCH537={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46452322602272034}The switching functions to use for each of the contacts in your mapWEIGHT537=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS538=103,2757the atoms involved in each of the contacts you wish to calculateSWITCH538={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39308270812034607}The switching functions to use for each of the contacts in your mapWEIGHT538=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS539=103,2760the atoms involved in each of the contacts you wish to calculateSWITCH539={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46013274788856506}The switching functions to use for each of the contacts in your mapWEIGHT539=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS540=104,165the atoms involved in each of the contacts you wish to calculateSWITCH540={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5622785687446594}The switching functions to use for each of the contacts in your mapWEIGHT540=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS541=104,168the atoms involved in each of the contacts you wish to calculateSWITCH541={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45415884256362915}The switching functions to use for each of the contacts in your mapWEIGHT541=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS542=104,170the atoms involved in each of the contacts you wish to calculateSWITCH542={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3222576379776001}The switching functions to use for each of the contacts in your mapWEIGHT542=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS543=104,171the atoms involved in each of the contacts you wish to calculateSWITCH543={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.28458070755004883}The switching functions to use for each of the contacts in your mapWEIGHT543=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS544=104,174the atoms involved in each of the contacts you wish to calculateSWITCH544={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.2697333097457886}The switching functions to use for each of the contacts in your mapWEIGHT544=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS545=104,2754the atoms involved in each of the contacts you wish to calculateSWITCH545={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5503525137901306}The switching functions to use for each of the contacts in your mapWEIGHT545=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS546=104,2757the atoms involved in each of the contacts you wish to calculateSWITCH546={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4742699861526489}The switching functions to use for each of the contacts in your mapWEIGHT546=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS547=104,2760the atoms involved in each of the contacts you wish to calculateSWITCH547={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48077648878097534}The switching functions to use for each of the contacts in your mapWEIGHT547=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS548=105,155the atoms involved in each of the contacts you wish to calculateSWITCH548={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40816161036491394}The switching functions to use for each of the contacts in your mapWEIGHT548=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS549=105,157the atoms involved in each of the contacts you wish to calculateSWITCH549={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49249812960624695}The switching functions to use for each of the contacts in your mapWEIGHT549=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS550=105,159the atoms involved in each of the contacts you wish to calculateSWITCH550={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4517176151275635}The switching functions to use for each of the contacts in your mapWEIGHT550=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS551=105,162the atoms involved in each of the contacts you wish to calculateSWITCH551={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5848396420478821}The switching functions to use for each of the contacts in your mapWEIGHT551=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS552=105,168the atoms involved in each of the contacts you wish to calculateSWITCH552={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5755900144577026}The switching functions to use for each of the contacts in your mapWEIGHT552=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS553=105,170the atoms involved in each of the contacts you wish to calculateSWITCH553={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5551342964172363}The switching functions to use for each of the contacts in your mapWEIGHT553=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS554=105,171the atoms involved in each of the contacts you wish to calculateSWITCH554={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5881785154342651}The switching functions to use for each of the contacts in your mapWEIGHT554=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS555=105,174the atoms involved in each of the contacts you wish to calculateSWITCH555={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.52174311876297}The switching functions to use for each of the contacts in your mapWEIGHT555=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS556=105,177the atoms involved in each of the contacts you wish to calculateSWITCH556={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5969133973121643}The switching functions to use for each of the contacts in your mapWEIGHT556=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS557=105,178the atoms involved in each of the contacts you wish to calculateSWITCH557={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5892688035964966}The switching functions to use for each of the contacts in your mapWEIGHT557=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS558=106,155the atoms involved in each of the contacts you wish to calculateSWITCH558={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3067578375339508}The switching functions to use for each of the contacts in your mapWEIGHT558=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS559=106,157the atoms involved in each of the contacts you wish to calculateSWITCH559={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37785062193870544}The switching functions to use for each of the contacts in your mapWEIGHT559=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS560=106,159the atoms involved in each of the contacts you wish to calculateSWITCH560={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3401607871055603}The switching functions to use for each of the contacts in your mapWEIGHT560=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS561=106,162the atoms involved in each of the contacts you wish to calculateSWITCH561={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48088890314102173}The switching functions to use for each of the contacts in your mapWEIGHT561=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS562=106,165the atoms involved in each of the contacts you wish to calculateSWITCH562={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5432841777801514}The switching functions to use for each of the contacts in your mapWEIGHT562=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS563=106,168the atoms involved in each of the contacts you wish to calculateSWITCH563={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.510678231716156}The switching functions to use for each of the contacts in your mapWEIGHT563=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS564=106,170the atoms involved in each of the contacts you wish to calculateSWITCH564={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5157387852668762}The switching functions to use for each of the contacts in your mapWEIGHT564=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS565=106,171the atoms involved in each of the contacts you wish to calculateSWITCH565={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.555491030216217}The switching functions to use for each of the contacts in your mapWEIGHT565=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS566=106,174the atoms involved in each of the contacts you wish to calculateSWITCH566={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.50669926404953}The switching functions to use for each of the contacts in your mapWEIGHT566=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS567=106,177the atoms involved in each of the contacts you wish to calculateSWITCH567={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4765022099018097}The switching functions to use for each of the contacts in your mapWEIGHT567=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS568=106,178the atoms involved in each of the contacts you wish to calculateSWITCH568={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4677118957042694}The switching functions to use for each of the contacts in your mapWEIGHT568=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS569=106,179the atoms involved in each of the contacts you wish to calculateSWITCH569={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5945799350738525}The switching functions to use for each of the contacts in your mapWEIGHT569=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS570=107,2489the atoms involved in each of the contacts you wish to calculateSWITCH570={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5497939586639404}The switching functions to use for each of the contacts in your mapWEIGHT570=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS571=107,2491the atoms involved in each of the contacts you wish to calculateSWITCH571={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.595111072063446}The switching functions to use for each of the contacts in your mapWEIGHT571=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS572=109,2468the atoms involved in each of the contacts you wish to calculateSWITCH572={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5939940214157104}The switching functions to use for each of the contacts in your mapWEIGHT572=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS573=109,2472the atoms involved in each of the contacts you wish to calculateSWITCH573={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46326780319213867}The switching functions to use for each of the contacts in your mapWEIGHT573=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS574=109,2487the atoms involved in each of the contacts you wish to calculateSWITCH574={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5697310566902161}The switching functions to use for each of the contacts in your mapWEIGHT574=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS575=109,2489the atoms involved in each of the contacts you wish to calculateSWITCH575={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4655928611755371}The switching functions to use for each of the contacts in your mapWEIGHT575=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS576=109,2491the atoms involved in each of the contacts you wish to calculateSWITCH576={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5268895626068115}The switching functions to use for each of the contacts in your mapWEIGHT576=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS577=111,2468the atoms involved in each of the contacts you wish to calculateSWITCH577={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5594031810760498}The switching functions to use for each of the contacts in your mapWEIGHT577=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS578=111,2472the atoms involved in each of the contacts you wish to calculateSWITCH578={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4284272789955139}The switching functions to use for each of the contacts in your mapWEIGHT578=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS579=111,2487the atoms involved in each of the contacts you wish to calculateSWITCH579={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5135896801948547}The switching functions to use for each of the contacts in your mapWEIGHT579=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS580=111,2489the atoms involved in each of the contacts you wish to calculateSWITCH580={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3886050283908844}The switching functions to use for each of the contacts in your mapWEIGHT580=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS581=111,2491the atoms involved in each of the contacts you wish to calculateSWITCH581={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4210628569126129}The switching functions to use for each of the contacts in your mapWEIGHT581=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS582=111,2493the atoms involved in each of the contacts you wish to calculateSWITCH582={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5593695044517517}The switching functions to use for each of the contacts in your mapWEIGHT582=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS583=114,2466the atoms involved in each of the contacts you wish to calculateSWITCH583={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5161994099617004}The switching functions to use for each of the contacts in your mapWEIGHT583=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS584=114,2468the atoms involved in each of the contacts you wish to calculateSWITCH584={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46580779552459717}The switching functions to use for each of the contacts in your mapWEIGHT584=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS585=114,2469the atoms involved in each of the contacts you wish to calculateSWITCH585={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5687714219093323}The switching functions to use for each of the contacts in your mapWEIGHT585=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS586=114,2472the atoms involved in each of the contacts you wish to calculateSWITCH586={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.33818772435188293}The switching functions to use for each of the contacts in your mapWEIGHT586=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS587=114,2487the atoms involved in each of the contacts you wish to calculateSWITCH587={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5110100507736206}The switching functions to use for each of the contacts in your mapWEIGHT587=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS588=114,2489the atoms involved in each of the contacts you wish to calculateSWITCH588={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39540964365005493}The switching functions to use for each of the contacts in your mapWEIGHT588=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS589=114,2491the atoms involved in each of the contacts you wish to calculateSWITCH589={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4363037049770355}The switching functions to use for each of the contacts in your mapWEIGHT589=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS590=114,2493the atoms involved in each of the contacts you wish to calculateSWITCH590={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742639303207397}The switching functions to use for each of the contacts in your mapWEIGHT590=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS591=115,2457the atoms involved in each of the contacts you wish to calculateSWITCH591={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5787242650985718}The switching functions to use for each of the contacts in your mapWEIGHT591=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS592=115,2460the atoms involved in each of the contacts you wish to calculateSWITCH592={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918317437171936}The switching functions to use for each of the contacts in your mapWEIGHT592=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS593=115,2463the atoms involved in each of the contacts you wish to calculateSWITCH593={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619649887084961}The switching functions to use for each of the contacts in your mapWEIGHT593=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS594=115,2466the atoms involved in each of the contacts you wish to calculateSWITCH594={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42379793524742126}The switching functions to use for each of the contacts in your mapWEIGHT594=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS595=115,2468the atoms involved in each of the contacts you wish to calculateSWITCH595={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39985743165016174}The switching functions to use for each of the contacts in your mapWEIGHT595=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS596=115,2469the atoms involved in each of the contacts you wish to calculateSWITCH596={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5197632908821106}The switching functions to use for each of the contacts in your mapWEIGHT596=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS597=115,2472the atoms involved in each of the contacts you wish to calculateSWITCH597={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.288034588098526}The switching functions to use for each of the contacts in your mapWEIGHT597=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS598=115,2484the atoms involved in each of the contacts you wish to calculateSWITCH598={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5783767104148865}The switching functions to use for each of the contacts in your mapWEIGHT598=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS599=115,2485the atoms involved in each of the contacts you wish to calculateSWITCH599={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5556961297988892}The switching functions to use for each of the contacts in your mapWEIGHT599=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS600=115,2487the atoms involved in each of the contacts you wish to calculateSWITCH600={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4485577642917633}The switching functions to use for each of the contacts in your mapWEIGHT600=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS601=115,2489the atoms involved in each of the contacts you wish to calculateSWITCH601={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3388477861881256}The switching functions to use for each of the contacts in your mapWEIGHT601=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS602=115,2491the atoms involved in each of the contacts you wish to calculateSWITCH602={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3703051507472992}The switching functions to use for each of the contacts in your mapWEIGHT602=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS603=115,2493the atoms involved in each of the contacts you wish to calculateSWITCH603={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4994155466556549}The switching functions to use for each of the contacts in your mapWEIGHT603=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS604=116,2466the atoms involved in each of the contacts you wish to calculateSWITCH604={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5568642020225525}The switching functions to use for each of the contacts in your mapWEIGHT604=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS605=116,2468the atoms involved in each of the contacts you wish to calculateSWITCH605={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.501131534576416}The switching functions to use for each of the contacts in your mapWEIGHT605=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS606=116,2469the atoms involved in each of the contacts you wish to calculateSWITCH606={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5935696959495544}The switching functions to use for each of the contacts in your mapWEIGHT606=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS607=116,2472the atoms involved in each of the contacts you wish to calculateSWITCH607={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3788784146308899}The switching functions to use for each of the contacts in your mapWEIGHT607=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS608=116,2489the atoms involved in each of the contacts you wish to calculateSWITCH608={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5107741951942444}The switching functions to use for each of the contacts in your mapWEIGHT608=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS609=116,2491the atoms involved in each of the contacts you wish to calculateSWITCH609={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5592229962348938}The switching functions to use for each of the contacts in your mapWEIGHT609=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS610=117,2468the atoms involved in each of the contacts you wish to calculateSWITCH610={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5057409405708313}The switching functions to use for each of the contacts in your mapWEIGHT610=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS611=117,2469the atoms involved in each of the contacts you wish to calculateSWITCH611={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5475164651870728}The switching functions to use for each of the contacts in your mapWEIGHT611=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS612=117,2472the atoms involved in each of the contacts you wish to calculateSWITCH612={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3864324688911438}The switching functions to use for each of the contacts in your mapWEIGHT612=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS613=117,2487the atoms involved in each of the contacts you wish to calculateSWITCH613={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4913192689418793}The switching functions to use for each of the contacts in your mapWEIGHT613=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS614=117,2489the atoms involved in each of the contacts you wish to calculateSWITCH614={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4177892804145813}The switching functions to use for each of the contacts in your mapWEIGHT614=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS615=117,2491the atoms involved in each of the contacts you wish to calculateSWITCH615={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5136339664459229}The switching functions to use for each of the contacts in your mapWEIGHT615=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS616=118,2466the atoms involved in each of the contacts you wish to calculateSWITCH616={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5529361963272095}The switching functions to use for each of the contacts in your mapWEIGHT616=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS617=118,2468the atoms involved in each of the contacts you wish to calculateSWITCH617={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4345676004886627}The switching functions to use for each of the contacts in your mapWEIGHT617=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS618=118,2469the atoms involved in each of the contacts you wish to calculateSWITCH618={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4587344825267792}The switching functions to use for each of the contacts in your mapWEIGHT618=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS619=118,2472the atoms involved in each of the contacts you wish to calculateSWITCH619={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3258269727230072}The switching functions to use for each of the contacts in your mapWEIGHT619=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS620=118,2487the atoms involved in each of the contacts you wish to calculateSWITCH620={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5057229399681091}The switching functions to use for each of the contacts in your mapWEIGHT620=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS621=118,2489the atoms involved in each of the contacts you wish to calculateSWITCH621={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45390406250953674}The switching functions to use for each of the contacts in your mapWEIGHT621=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS622=118,2491the atoms involved in each of the contacts you wish to calculateSWITCH622={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5665836930274963}The switching functions to use for each of the contacts in your mapWEIGHT622=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS623=119,2468the atoms involved in each of the contacts you wish to calculateSWITCH623={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5575348734855652}The switching functions to use for each of the contacts in your mapWEIGHT623=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS624=119,2469the atoms involved in each of the contacts you wish to calculateSWITCH624={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5859995484352112}The switching functions to use for each of the contacts in your mapWEIGHT624=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS625=119,2472the atoms involved in each of the contacts you wish to calculateSWITCH625={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45294293761253357}The switching functions to use for each of the contacts in your mapWEIGHT625=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS626=119,2485the atoms involved in each of the contacts you wish to calculateSWITCH626={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5917377471923828}The switching functions to use for each of the contacts in your mapWEIGHT626=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS627=119,2487the atoms involved in each of the contacts you wish to calculateSWITCH627={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46437665820121765}The switching functions to use for each of the contacts in your mapWEIGHT627=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS628=119,2489the atoms involved in each of the contacts you wish to calculateSWITCH628={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4096108376979828}The switching functions to use for each of the contacts in your mapWEIGHT628=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS629=119,2491the atoms involved in each of the contacts you wish to calculateSWITCH629={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5075125694274902}The switching functions to use for each of the contacts in your mapWEIGHT629=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS630=121,2468the atoms involved in each of the contacts you wish to calculateSWITCH630={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5554844737052917}The switching functions to use for each of the contacts in your mapWEIGHT630=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS631=121,2469the atoms involved in each of the contacts you wish to calculateSWITCH631={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5543693900108337}The switching functions to use for each of the contacts in your mapWEIGHT631=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS632=121,2472the atoms involved in each of the contacts you wish to calculateSWITCH632={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4779050052165985}The switching functions to use for each of the contacts in your mapWEIGHT632=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS633=121,2485the atoms involved in each of the contacts you wish to calculateSWITCH633={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5731696486473083}The switching functions to use for each of the contacts in your mapWEIGHT633=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS634=121,2487the atoms involved in each of the contacts you wish to calculateSWITCH634={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4545432925224304}The switching functions to use for each of the contacts in your mapWEIGHT634=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS635=121,2489the atoms involved in each of the contacts you wish to calculateSWITCH635={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4435187876224518}The switching functions to use for each of the contacts in your mapWEIGHT635=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS636=121,2491the atoms involved in each of the contacts you wish to calculateSWITCH636={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5580437183380127}The switching functions to use for each of the contacts in your mapWEIGHT636=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS637=123,2472the atoms involved in each of the contacts you wish to calculateSWITCH637={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.548585832118988}The switching functions to use for each of the contacts in your mapWEIGHT637=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS638=123,2484the atoms involved in each of the contacts you wish to calculateSWITCH638={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5859228372573853}The switching functions to use for each of the contacts in your mapWEIGHT638=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS639=123,2485the atoms involved in each of the contacts you wish to calculateSWITCH639={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5053396224975586}The switching functions to use for each of the contacts in your mapWEIGHT639=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS640=123,2487the atoms involved in each of the contacts you wish to calculateSWITCH640={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.412972629070282}The switching functions to use for each of the contacts in your mapWEIGHT640=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS641=123,2489the atoms involved in each of the contacts you wish to calculateSWITCH641={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42444077134132385}The switching functions to use for each of the contacts in your mapWEIGHT641=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS642=123,2491the atoms involved in each of the contacts you wish to calculateSWITCH642={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5252939462661743}The switching functions to use for each of the contacts in your mapWEIGHT642=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS643=123,2493the atoms involved in each of the contacts you wish to calculateSWITCH643={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5974696278572083}The switching functions to use for each of the contacts in your mapWEIGHT643=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS644=123,2627the atoms involved in each of the contacts you wish to calculateSWITCH644={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5731010437011719}The switching functions to use for each of the contacts in your mapWEIGHT644=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS645=126,630the atoms involved in each of the contacts you wish to calculateSWITCH645={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5353927612304688}The switching functions to use for each of the contacts in your mapWEIGHT645=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS646=126,633the atoms involved in each of the contacts you wish to calculateSWITCH646={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5973686575889587}The switching functions to use for each of the contacts in your mapWEIGHT646=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS647=126,639the atoms involved in each of the contacts you wish to calculateSWITCH647={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.517166256904602}The switching functions to use for each of the contacts in your mapWEIGHT647=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS648=126,646the atoms involved in each of the contacts you wish to calculateSWITCH648={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5945161581039429}The switching functions to use for each of the contacts in your mapWEIGHT648=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS649=126,647the atoms involved in each of the contacts you wish to calculateSWITCH649={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5499789118766785}The switching functions to use for each of the contacts in your mapWEIGHT649=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS650=126,705the atoms involved in each of the contacts you wish to calculateSWITCH650={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4765685796737671}The switching functions to use for each of the contacts in your mapWEIGHT650=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS651=126,2485the atoms involved in each of the contacts you wish to calculateSWITCH651={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5263640284538269}The switching functions to use for each of the contacts in your mapWEIGHT651=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS652=126,2487the atoms involved in each of the contacts you wish to calculateSWITCH652={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4592922031879425}The switching functions to use for each of the contacts in your mapWEIGHT652=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS653=126,2489the atoms involved in each of the contacts you wish to calculateSWITCH653={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5120242238044739}The switching functions to use for each of the contacts in your mapWEIGHT653=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS654=128,630the atoms involved in each of the contacts you wish to calculateSWITCH654={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5649122595787048}The switching functions to use for each of the contacts in your mapWEIGHT654=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS655=128,636the atoms involved in each of the contacts you wish to calculateSWITCH655={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5940715670585632}The switching functions to use for each of the contacts in your mapWEIGHT655=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS656=128,639the atoms involved in each of the contacts you wish to calculateSWITCH656={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613213837146759}The switching functions to use for each of the contacts in your mapWEIGHT656=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS657=128,642the atoms involved in each of the contacts you wish to calculateSWITCH657={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5137355327606201}The switching functions to use for each of the contacts in your mapWEIGHT657=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS658=128,647the atoms involved in each of the contacts you wish to calculateSWITCH658={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5830925703048706}The switching functions to use for each of the contacts in your mapWEIGHT658=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS659=128,705the atoms involved in each of the contacts you wish to calculateSWITCH659={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5121579766273499}The switching functions to use for each of the contacts in your mapWEIGHT659=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS660=128,2468the atoms involved in each of the contacts you wish to calculateSWITCH660={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5553255081176758}The switching functions to use for each of the contacts in your mapWEIGHT660=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS661=128,2469the atoms involved in each of the contacts you wish to calculateSWITCH661={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5142049193382263}The switching functions to use for each of the contacts in your mapWEIGHT661=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS662=128,2472the atoms involved in each of the contacts you wish to calculateSWITCH662={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488356947898865}The switching functions to use for each of the contacts in your mapWEIGHT662=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS663=128,2484the atoms involved in each of the contacts you wish to calculateSWITCH663={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5893114805221558}The switching functions to use for each of the contacts in your mapWEIGHT663=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS664=128,2485the atoms involved in each of the contacts you wish to calculateSWITCH664={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47012579441070557}The switching functions to use for each of the contacts in your mapWEIGHT664=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS665=128,2487the atoms involved in each of the contacts you wish to calculateSWITCH665={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40698471665382385}The switching functions to use for each of the contacts in your mapWEIGHT665=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS666=128,2489the atoms involved in each of the contacts you wish to calculateSWITCH666={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49016961455345154}The switching functions to use for each of the contacts in your mapWEIGHT666=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS667=132,630the atoms involved in each of the contacts you wish to calculateSWITCH667={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5928357243537903}The switching functions to use for each of the contacts in your mapWEIGHT667=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS668=132,639the atoms involved in each of the contacts you wish to calculateSWITCH668={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5942855477333069}The switching functions to use for each of the contacts in your mapWEIGHT668=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS669=132,646the atoms involved in each of the contacts you wish to calculateSWITCH669={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5856091380119324}The switching functions to use for each of the contacts in your mapWEIGHT669=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS670=132,647the atoms involved in each of the contacts you wish to calculateSWITCH670={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5205259919166565}The switching functions to use for each of the contacts in your mapWEIGHT670=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS671=132,697the atoms involved in each of the contacts you wish to calculateSWITCH671={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5988277792930603}The switching functions to use for each of the contacts in your mapWEIGHT671=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS672=132,699the atoms involved in each of the contacts you wish to calculateSWITCH672={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48210594058036804}The switching functions to use for each of the contacts in your mapWEIGHT672=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS673=132,701the atoms involved in each of the contacts you wish to calculateSWITCH673={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47332215309143066}The switching functions to use for each of the contacts in your mapWEIGHT673=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS674=132,705the atoms involved in each of the contacts you wish to calculateSWITCH674={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3725535571575165}The switching functions to use for each of the contacts in your mapWEIGHT674=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS675=132,2484the atoms involved in each of the contacts you wish to calculateSWITCH675={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732763409614563}The switching functions to use for each of the contacts in your mapWEIGHT675=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS676=132,2485the atoms involved in each of the contacts you wish to calculateSWITCH676={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4970130920410156}The switching functions to use for each of the contacts in your mapWEIGHT676=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS677=132,2487the atoms involved in each of the contacts you wish to calculateSWITCH677={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4672197699546814}The switching functions to use for each of the contacts in your mapWEIGHT677=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS678=132,2489the atoms involved in each of the contacts you wish to calculateSWITCH678={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294206142425537}The switching functions to use for each of the contacts in your mapWEIGHT678=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS679=132,2625the atoms involved in each of the contacts you wish to calculateSWITCH679={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5722167491912842}The switching functions to use for each of the contacts in your mapWEIGHT679=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS680=132,2627the atoms involved in each of the contacts you wish to calculateSWITCH680={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5123468041419983}The switching functions to use for each of the contacts in your mapWEIGHT680=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS681=132,2631the atoms involved in each of the contacts you wish to calculateSWITCH681={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5535756945610046}The switching functions to use for each of the contacts in your mapWEIGHT681=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS682=136,630the atoms involved in each of the contacts you wish to calculateSWITCH682={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5946613550186157}The switching functions to use for each of the contacts in your mapWEIGHT682=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS683=136,2472the atoms involved in each of the contacts you wish to calculateSWITCH683={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.581919252872467}The switching functions to use for each of the contacts in your mapWEIGHT683=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS684=136,2487the atoms involved in each of the contacts you wish to calculateSWITCH684={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5984298586845398}The switching functions to use for each of the contacts in your mapWEIGHT684=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS685=136,2489the atoms involved in each of the contacts you wish to calculateSWITCH685={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5946473479270935}The switching functions to use for each of the contacts in your mapWEIGHT685=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS686=137,630the atoms involved in each of the contacts you wish to calculateSWITCH686={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.529457151889801}The switching functions to use for each of the contacts in your mapWEIGHT686=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS687=137,633the atoms involved in each of the contacts you wish to calculateSWITCH687={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5152269005775452}The switching functions to use for each of the contacts in your mapWEIGHT687=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS688=137,636the atoms involved in each of the contacts you wish to calculateSWITCH688={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5650524497032166}The switching functions to use for each of the contacts in your mapWEIGHT688=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS689=137,639the atoms involved in each of the contacts you wish to calculateSWITCH689={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5070311427116394}The switching functions to use for each of the contacts in your mapWEIGHT689=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS690=140,584the atoms involved in each of the contacts you wish to calculateSWITCH690={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.595639169216156}The switching functions to use for each of the contacts in your mapWEIGHT690=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS691=140,588the atoms involved in each of the contacts you wish to calculateSWITCH691={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5598883032798767}The switching functions to use for each of the contacts in your mapWEIGHT691=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS692=140,592the atoms involved in each of the contacts you wish to calculateSWITCH692={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5710936188697815}The switching functions to use for each of the contacts in your mapWEIGHT692=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS693=140,630the atoms involved in each of the contacts you wish to calculateSWITCH693={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750530958175659}The switching functions to use for each of the contacts in your mapWEIGHT693=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS694=140,633the atoms involved in each of the contacts you wish to calculateSWITCH694={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5933157801628113}The switching functions to use for each of the contacts in your mapWEIGHT694=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS695=142,584the atoms involved in each of the contacts you wish to calculateSWITCH695={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5324715971946716}The switching functions to use for each of the contacts in your mapWEIGHT695=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS696=142,586the atoms involved in each of the contacts you wish to calculateSWITCH696={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5091816782951355}The switching functions to use for each of the contacts in your mapWEIGHT696=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS697=142,588the atoms involved in each of the contacts you wish to calculateSWITCH697={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4397691488265991}The switching functions to use for each of the contacts in your mapWEIGHT697=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS698=142,592the atoms involved in each of the contacts you wish to calculateSWITCH698={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48562726378440857}The switching functions to use for each of the contacts in your mapWEIGHT698=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS699=142,595the atoms involved in each of the contacts you wish to calculateSWITCH699={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5766509175300598}The switching functions to use for each of the contacts in your mapWEIGHT699=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS700=145,584the atoms involved in each of the contacts you wish to calculateSWITCH700={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5272219777107239}The switching functions to use for each of the contacts in your mapWEIGHT700=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS701=145,586the atoms involved in each of the contacts you wish to calculateSWITCH701={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5133622288703918}The switching functions to use for each of the contacts in your mapWEIGHT701=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS702=145,588the atoms involved in each of the contacts you wish to calculateSWITCH702={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41722142696380615}The switching functions to use for each of the contacts in your mapWEIGHT702=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS703=145,592the atoms involved in each of the contacts you wish to calculateSWITCH703={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5308302640914917}The switching functions to use for each of the contacts in your mapWEIGHT703=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS704=145,594the atoms involved in each of the contacts you wish to calculateSWITCH704={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5641929507255554}The switching functions to use for each of the contacts in your mapWEIGHT704=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS705=145,595the atoms involved in each of the contacts you wish to calculateSWITCH705={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5086303949356079}The switching functions to use for each of the contacts in your mapWEIGHT705=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS706=145,630the atoms involved in each of the contacts you wish to calculateSWITCH706={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.548515260219574}The switching functions to use for each of the contacts in your mapWEIGHT706=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS707=145,652the atoms involved in each of the contacts you wish to calculateSWITCH707={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5973715782165527}The switching functions to use for each of the contacts in your mapWEIGHT707=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS708=148,580the atoms involved in each of the contacts you wish to calculateSWITCH708={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5916053652763367}The switching functions to use for each of the contacts in your mapWEIGHT708=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS709=148,581the atoms involved in each of the contacts you wish to calculateSWITCH709={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5268579721450806}The switching functions to use for each of the contacts in your mapWEIGHT709=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS710=148,582the atoms involved in each of the contacts you wish to calculateSWITCH710={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5635003447532654}The switching functions to use for each of the contacts in your mapWEIGHT710=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS711=148,584the atoms involved in each of the contacts you wish to calculateSWITCH711={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4417250156402588}The switching functions to use for each of the contacts in your mapWEIGHT711=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS712=148,586the atoms involved in each of the contacts you wish to calculateSWITCH712={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47522252798080444}The switching functions to use for each of the contacts in your mapWEIGHT712=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS713=148,588the atoms involved in each of the contacts you wish to calculateSWITCH713={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40428638458251953}The switching functions to use for each of the contacts in your mapWEIGHT713=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS714=148,592the atoms involved in each of the contacts you wish to calculateSWITCH714={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5273732542991638}The switching functions to use for each of the contacts in your mapWEIGHT714=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS715=148,594the atoms involved in each of the contacts you wish to calculateSWITCH715={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44839680194854736}The switching functions to use for each of the contacts in your mapWEIGHT715=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS716=148,595the atoms involved in each of the contacts you wish to calculateSWITCH716={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.369035005569458}The switching functions to use for each of the contacts in your mapWEIGHT716=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS717=148,596the atoms involved in each of the contacts you wish to calculateSWITCH717={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.574969470500946}The switching functions to use for each of the contacts in your mapWEIGHT717=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS718=148,626the atoms involved in each of the contacts you wish to calculateSWITCH718={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5440005660057068}The switching functions to use for each of the contacts in your mapWEIGHT718=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS719=148,628the atoms involved in each of the contacts you wish to calculateSWITCH719={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46783921122550964}The switching functions to use for each of the contacts in your mapWEIGHT719=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS720=148,630the atoms involved in each of the contacts you wish to calculateSWITCH720={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37914806604385376}The switching functions to use for each of the contacts in your mapWEIGHT720=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS721=148,633the atoms involved in each of the contacts you wish to calculateSWITCH721={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4787598252296448}The switching functions to use for each of the contacts in your mapWEIGHT721=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS722=148,639the atoms involved in each of the contacts you wish to calculateSWITCH722={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5918183922767639}The switching functions to use for each of the contacts in your mapWEIGHT722=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS723=148,646the atoms involved in each of the contacts you wish to calculateSWITCH723={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4437062442302704}The switching functions to use for each of the contacts in your mapWEIGHT723=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS724=148,647the atoms involved in each of the contacts you wish to calculateSWITCH724={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49258583784103394}The switching functions to use for each of the contacts in your mapWEIGHT724=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS725=148,648the atoms involved in each of the contacts you wish to calculateSWITCH725={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43210315704345703}The switching functions to use for each of the contacts in your mapWEIGHT725=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS726=148,650the atoms involved in each of the contacts you wish to calculateSWITCH726={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4671936631202698}The switching functions to use for each of the contacts in your mapWEIGHT726=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS727=148,652the atoms involved in each of the contacts you wish to calculateSWITCH727={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4752376675605774}The switching functions to use for each of the contacts in your mapWEIGHT727=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS728=148,655the atoms involved in each of the contacts you wish to calculateSWITCH728={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5735578536987305}The switching functions to use for each of the contacts in your mapWEIGHT728=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS729=148,656the atoms involved in each of the contacts you wish to calculateSWITCH729={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5656972527503967}The switching functions to use for each of the contacts in your mapWEIGHT729=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS730=148,705the atoms involved in each of the contacts you wish to calculateSWITCH730={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5874531269073486}The switching functions to use for each of the contacts in your mapWEIGHT730=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS731=149,584the atoms involved in each of the contacts you wish to calculateSWITCH731={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.573193371295929}The switching functions to use for each of the contacts in your mapWEIGHT731=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS732=149,588the atoms involved in each of the contacts you wish to calculateSWITCH732={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5182458758354187}The switching functions to use for each of the contacts in your mapWEIGHT732=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS733=149,594the atoms involved in each of the contacts you wish to calculateSWITCH733={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5363684296607971}The switching functions to use for each of the contacts in your mapWEIGHT733=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS734=149,595the atoms involved in each of the contacts you wish to calculateSWITCH734={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43141162395477295}The switching functions to use for each of the contacts in your mapWEIGHT734=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS735=149,626the atoms involved in each of the contacts you wish to calculateSWITCH735={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5707555413246155}The switching functions to use for each of the contacts in your mapWEIGHT735=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS736=149,628the atoms involved in each of the contacts you wish to calculateSWITCH736={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47160837054252625}The switching functions to use for each of the contacts in your mapWEIGHT736=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS737=149,630the atoms involved in each of the contacts you wish to calculateSWITCH737={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4259277284145355}The switching functions to use for each of the contacts in your mapWEIGHT737=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS738=149,633the atoms involved in each of the contacts you wish to calculateSWITCH738={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.554869532585144}The switching functions to use for each of the contacts in your mapWEIGHT738=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS739=149,646the atoms involved in each of the contacts you wish to calculateSWITCH739={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3942033648490906}The switching functions to use for each of the contacts in your mapWEIGHT739=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS740=149,647the atoms involved in each of the contacts you wish to calculateSWITCH740={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40702053904533386}The switching functions to use for each of the contacts in your mapWEIGHT740=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS741=149,648the atoms involved in each of the contacts you wish to calculateSWITCH741={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37880098819732666}The switching functions to use for each of the contacts in your mapWEIGHT741=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS742=149,650the atoms involved in each of the contacts you wish to calculateSWITCH742={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3668091595172882}The switching functions to use for each of the contacts in your mapWEIGHT742=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS743=149,652the atoms involved in each of the contacts you wish to calculateSWITCH743={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39344629645347595}The switching functions to use for each of the contacts in your mapWEIGHT743=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS744=149,655the atoms involved in each of the contacts you wish to calculateSWITCH744={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4652674198150635}The switching functions to use for each of the contacts in your mapWEIGHT744=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS745=149,656the atoms involved in each of the contacts you wish to calculateSWITCH745={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43051859736442566}The switching functions to use for each of the contacts in your mapWEIGHT745=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS746=149,658the atoms involved in each of the contacts you wish to calculateSWITCH746={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5480756759643555}The switching functions to use for each of the contacts in your mapWEIGHT746=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS747=149,667the atoms involved in each of the contacts you wish to calculateSWITCH747={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5046996474266052}The switching functions to use for each of the contacts in your mapWEIGHT747=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS748=149,668the atoms involved in each of the contacts you wish to calculateSWITCH748={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5402522683143616}The switching functions to use for each of the contacts in your mapWEIGHT748=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS749=149,699the atoms involved in each of the contacts you wish to calculateSWITCH749={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5241203308105469}The switching functions to use for each of the contacts in your mapWEIGHT749=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS750=149,701the atoms involved in each of the contacts you wish to calculateSWITCH750={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5877852439880371}The switching functions to use for each of the contacts in your mapWEIGHT750=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS751=149,705the atoms involved in each of the contacts you wish to calculateSWITCH751={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.433716356754303}The switching functions to use for each of the contacts in your mapWEIGHT751=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS752=149,2625the atoms involved in each of the contacts you wish to calculateSWITCH752={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5765672326087952}The switching functions to use for each of the contacts in your mapWEIGHT752=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS753=149,2627the atoms involved in each of the contacts you wish to calculateSWITCH753={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.593357503414154}The switching functions to use for each of the contacts in your mapWEIGHT753=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS754=149,2631the atoms involved in each of the contacts you wish to calculateSWITCH754={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5957211852073669}The switching functions to use for each of the contacts in your mapWEIGHT754=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS755=153,592the atoms involved in each of the contacts you wish to calculateSWITCH755={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750492811203003}The switching functions to use for each of the contacts in your mapWEIGHT755=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS756=154,581the atoms involved in each of the contacts you wish to calculateSWITCH756={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5363260507583618}The switching functions to use for each of the contacts in your mapWEIGHT756=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS757=154,584the atoms involved in each of the contacts you wish to calculateSWITCH757={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5684237480163574}The switching functions to use for each of the contacts in your mapWEIGHT757=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS758=154,586the atoms involved in each of the contacts you wish to calculateSWITCH758={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5699453949928284}The switching functions to use for each of the contacts in your mapWEIGHT758=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS759=154,588the atoms involved in each of the contacts you wish to calculateSWITCH759={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.578111469745636}The switching functions to use for each of the contacts in your mapWEIGHT759=0.0013157894736842105A weight value for a given contact, by default is 1ATOMS760=154,592the atoms involved in each of the contacts you wish to calculateSWITCH760={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49099254608154297}The switching functions to use for each of the contacts in your mapWEIGHT760=0.0013157894736842105A weight value for a given contact, by default is 1LABEL=qha label for the action so that its output can be referenced in the input to other actionsSUMcalculate the sum of all the contacts in the inputNOPBC... CONTACTMAPignore the periodic boundary conditions when calculating distancesCONTACTMAP...Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More detailsATOMS1=54,650the atoms involved in each of the contacts you wish to calculateSWITCH1={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2073395252227783}The switching functions to use for each of the contacts in your mapWEIGHT1=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS2=54,652the atoms involved in each of the contacts you wish to calculateSWITCH2={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2153960466384888}The switching functions to use for each of the contacts in your mapWEIGHT2=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS3=54,655the atoms involved in each of the contacts you wish to calculateSWITCH3={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2032161951065063}The switching functions to use for each of the contacts in your mapWEIGHT3=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS4=54,656the atoms involved in each of the contacts you wish to calculateSWITCH4={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0849343538284302}The switching functions to use for each of the contacts in your mapWEIGHT4=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS5=54,658the atoms involved in each of the contacts you wish to calculateSWITCH5={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0972305536270142}The switching functions to use for each of the contacts in your mapWEIGHT5=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS6=54,660the atoms involved in each of the contacts you wish to calculateSWITCH6={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2276251316070557}The switching functions to use for each of the contacts in your mapWEIGHT6=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS7=54,661the atoms involved in each of the contacts you wish to calculateSWITCH7={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2704747915267944}The switching functions to use for each of the contacts in your mapWEIGHT7=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS8=54,663the atoms involved in each of the contacts you wish to calculateSWITCH8={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3364982604980469}The switching functions to use for each of the contacts in your mapWEIGHT8=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS9=54,665the atoms involved in each of the contacts you wish to calculateSWITCH9={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3214726448059082}The switching functions to use for each of the contacts in your mapWEIGHT9=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS10=54,697the atoms involved in each of the contacts you wish to calculateSWITCH10={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2260346412658691}The switching functions to use for each of the contacts in your mapWEIGHT10=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS11=54,699the atoms involved in each of the contacts you wish to calculateSWITCH11={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0861667394638062}The switching functions to use for each of the contacts in your mapWEIGHT11=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS12=54,701the atoms involved in each of the contacts you wish to calculateSWITCH12={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0051428079605103}The switching functions to use for each of the contacts in your mapWEIGHT12=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS13=54,705the atoms involved in each of the contacts you wish to calculateSWITCH13={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0303683280944824}The switching functions to use for each of the contacts in your mapWEIGHT13=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS14=54,2479the atoms involved in each of the contacts you wish to calculateSWITCH14={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.791508674621582}The switching functions to use for each of the contacts in your mapWEIGHT14=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS15=54,2481the atoms involved in each of the contacts you wish to calculateSWITCH15={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7106577754020691}The switching functions to use for each of the contacts in your mapWEIGHT15=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS16=54,2484the atoms involved in each of the contacts you wish to calculateSWITCH16={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6146672368049622}The switching functions to use for each of the contacts in your mapWEIGHT16=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS17=54,2485the atoms involved in each of the contacts you wish to calculateSWITCH17={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6655481457710266}The switching functions to use for each of the contacts in your mapWEIGHT17=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS18=54,2487the atoms involved in each of the contacts you wish to calculateSWITCH18={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6135570406913757}The switching functions to use for each of the contacts in your mapWEIGHT18=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS19=54,2489the atoms involved in each of the contacts you wish to calculateSWITCH19={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5041608810424805}The switching functions to use for each of the contacts in your mapWEIGHT19=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS20=54,2491the atoms involved in each of the contacts you wish to calculateSWITCH20={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44624415040016174}The switching functions to use for each of the contacts in your mapWEIGHT20=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS21=54,2493the atoms involved in each of the contacts you wish to calculateSWITCH21={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.505925178527832}The switching functions to use for each of the contacts in your mapWEIGHT21=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS22=54,2568the atoms involved in each of the contacts you wish to calculateSWITCH22={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8161230087280273}The switching functions to use for each of the contacts in your mapWEIGHT22=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS23=54,2570the atoms involved in each of the contacts you wish to calculateSWITCH23={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9149656891822815}The switching functions to use for each of the contacts in your mapWEIGHT23=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS24=54,2573the atoms involved in each of the contacts you wish to calculateSWITCH24={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8856492638587952}The switching functions to use for each of the contacts in your mapWEIGHT24=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS25=54,2575the atoms involved in each of the contacts you wish to calculateSWITCH25={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0234590768814087}The switching functions to use for each of the contacts in your mapWEIGHT25=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS26=54,2579the atoms involved in each of the contacts you wish to calculateSWITCH26={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7981535196304321}The switching functions to use for each of the contacts in your mapWEIGHT26=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS27=54,2623the atoms involved in each of the contacts you wish to calculateSWITCH27={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6928781867027283}The switching functions to use for each of the contacts in your mapWEIGHT27=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS28=54,2625the atoms involved in each of the contacts you wish to calculateSWITCH28={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6475754976272583}The switching functions to use for each of the contacts in your mapWEIGHT28=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS29=54,2627the atoms involved in each of the contacts you wish to calculateSWITCH29={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5035719275474548}The switching functions to use for each of the contacts in your mapWEIGHT29=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS30=54,2631the atoms involved in each of the contacts you wish to calculateSWITCH30={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7371729612350464}The switching functions to use for each of the contacts in your mapWEIGHT30=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS31=56,650the atoms involved in each of the contacts you wish to calculateSWITCH31={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2154098749160767}The switching functions to use for each of the contacts in your mapWEIGHT31=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS32=56,652the atoms involved in each of the contacts you wish to calculateSWITCH32={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2258117198944092}The switching functions to use for each of the contacts in your mapWEIGHT32=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS33=56,655the atoms involved in each of the contacts you wish to calculateSWITCH33={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.198154330253601}The switching functions to use for each of the contacts in your mapWEIGHT33=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS34=56,656the atoms involved in each of the contacts you wish to calculateSWITCH34={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.071199655532837}The switching functions to use for each of the contacts in your mapWEIGHT34=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS35=56,658the atoms involved in each of the contacts you wish to calculateSWITCH35={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0686819553375244}The switching functions to use for each of the contacts in your mapWEIGHT35=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS36=56,660the atoms involved in each of the contacts you wish to calculateSWITCH36={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1943490505218506}The switching functions to use for each of the contacts in your mapWEIGHT36=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS37=56,661the atoms involved in each of the contacts you wish to calculateSWITCH37={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2240328788757324}The switching functions to use for each of the contacts in your mapWEIGHT37=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS38=56,663the atoms involved in each of the contacts you wish to calculateSWITCH38={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.311773657798767}The switching functions to use for each of the contacts in your mapWEIGHT38=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS39=56,665the atoms involved in each of the contacts you wish to calculateSWITCH39={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3099215030670166}The switching functions to use for each of the contacts in your mapWEIGHT39=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS40=56,697the atoms involved in each of the contacts you wish to calculateSWITCH40={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1908018589019775}The switching functions to use for each of the contacts in your mapWEIGHT40=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS41=56,699the atoms involved in each of the contacts you wish to calculateSWITCH41={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0531564950942993}The switching functions to use for each of the contacts in your mapWEIGHT41=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS42=56,701the atoms involved in each of the contacts you wish to calculateSWITCH42={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9550927877426147}The switching functions to use for each of the contacts in your mapWEIGHT42=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS43=56,705the atoms involved in each of the contacts you wish to calculateSWITCH43={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.015113353729248}The switching functions to use for each of the contacts in your mapWEIGHT43=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS44=56,2479the atoms involved in each of the contacts you wish to calculateSWITCH44={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7233849167823792}The switching functions to use for each of the contacts in your mapWEIGHT44=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS45=56,2481the atoms involved in each of the contacts you wish to calculateSWITCH45={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6475988030433655}The switching functions to use for each of the contacts in your mapWEIGHT45=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS46=56,2484the atoms involved in each of the contacts you wish to calculateSWITCH46={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5807527899742126}The switching functions to use for each of the contacts in your mapWEIGHT46=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS47=56,2485the atoms involved in each of the contacts you wish to calculateSWITCH47={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6570329666137695}The switching functions to use for each of the contacts in your mapWEIGHT47=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS48=56,2487the atoms involved in each of the contacts you wish to calculateSWITCH48={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6371328234672546}The switching functions to use for each of the contacts in your mapWEIGHT48=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS49=56,2489the atoms involved in each of the contacts you wish to calculateSWITCH49={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5446047782897949}The switching functions to use for each of the contacts in your mapWEIGHT49=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS50=56,2491the atoms involved in each of the contacts you wish to calculateSWITCH50={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.46060168743133545}The switching functions to use for each of the contacts in your mapWEIGHT50=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS51=56,2493the atoms involved in each of the contacts you wish to calculateSWITCH51={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47651466727256775}The switching functions to use for each of the contacts in your mapWEIGHT51=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS52=56,2568the atoms involved in each of the contacts you wish to calculateSWITCH52={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.694614052772522}The switching functions to use for each of the contacts in your mapWEIGHT52=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS53=56,2570the atoms involved in each of the contacts you wish to calculateSWITCH53={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8034761548042297}The switching functions to use for each of the contacts in your mapWEIGHT53=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS54=56,2573the atoms involved in each of the contacts you wish to calculateSWITCH54={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.786121129989624}The switching functions to use for each of the contacts in your mapWEIGHT54=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS55=56,2575the atoms involved in each of the contacts you wish to calculateSWITCH55={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9301324486732483}The switching functions to use for each of the contacts in your mapWEIGHT55=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS56=56,2579the atoms involved in each of the contacts you wish to calculateSWITCH56={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7184963822364807}The switching functions to use for each of the contacts in your mapWEIGHT56=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS57=56,2623the atoms involved in each of the contacts you wish to calculateSWITCH57={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6282786726951599}The switching functions to use for each of the contacts in your mapWEIGHT57=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS58=56,2625the atoms involved in each of the contacts you wish to calculateSWITCH58={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5954309701919556}The switching functions to use for each of the contacts in your mapWEIGHT58=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS59=56,2627the atoms involved in each of the contacts you wish to calculateSWITCH59={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452328085899353}The switching functions to use for each of the contacts in your mapWEIGHT59=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS60=56,2631the atoms involved in each of the contacts you wish to calculateSWITCH60={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6698104739189148}The switching functions to use for each of the contacts in your mapWEIGHT60=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS61=58,650the atoms involved in each of the contacts you wish to calculateSWITCH61={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1068532466888428}The switching functions to use for each of the contacts in your mapWEIGHT61=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS62=58,652the atoms involved in each of the contacts you wish to calculateSWITCH62={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.129375696182251}The switching functions to use for each of the contacts in your mapWEIGHT62=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS63=58,655the atoms involved in each of the contacts you wish to calculateSWITCH63={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1018660068511963}The switching functions to use for each of the contacts in your mapWEIGHT63=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS64=58,656the atoms involved in each of the contacts you wish to calculateSWITCH64={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9743746519088745}The switching functions to use for each of the contacts in your mapWEIGHT64=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS65=58,658the atoms involved in each of the contacts you wish to calculateSWITCH65={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9759376049041748}The switching functions to use for each of the contacts in your mapWEIGHT65=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS66=58,660the atoms involved in each of the contacts you wish to calculateSWITCH66={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.103806495666504}The switching functions to use for each of the contacts in your mapWEIGHT66=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS67=58,661the atoms involved in each of the contacts you wish to calculateSWITCH67={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.136616826057434}The switching functions to use for each of the contacts in your mapWEIGHT67=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS68=58,663the atoms involved in each of the contacts you wish to calculateSWITCH68={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2190656661987305}The switching functions to use for each of the contacts in your mapWEIGHT68=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS69=58,665the atoms involved in each of the contacts you wish to calculateSWITCH69={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2151458263397217}The switching functions to use for each of the contacts in your mapWEIGHT69=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS70=58,697the atoms involved in each of the contacts you wish to calculateSWITCH70={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0472536087036133}The switching functions to use for each of the contacts in your mapWEIGHT70=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS71=58,699the atoms involved in each of the contacts you wish to calculateSWITCH71={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9132477641105652}The switching functions to use for each of the contacts in your mapWEIGHT71=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS72=58,701the atoms involved in each of the contacts you wish to calculateSWITCH72={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.810089647769928}The switching functions to use for each of the contacts in your mapWEIGHT72=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS73=58,705the atoms involved in each of the contacts you wish to calculateSWITCH73={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8793293833732605}The switching functions to use for each of the contacts in your mapWEIGHT73=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS74=58,2479the atoms involved in each of the contacts you wish to calculateSWITCH74={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6275546550750732}The switching functions to use for each of the contacts in your mapWEIGHT74=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS75=58,2481the atoms involved in each of the contacts you wish to calculateSWITCH75={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5321964621543884}The switching functions to use for each of the contacts in your mapWEIGHT75=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS76=58,2484the atoms involved in each of the contacts you wish to calculateSWITCH76={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4766978323459625}The switching functions to use for each of the contacts in your mapWEIGHT76=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS77=58,2485the atoms involved in each of the contacts you wish to calculateSWITCH77={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.551134467124939}The switching functions to use for each of the contacts in your mapWEIGHT77=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS78=58,2487the atoms involved in each of the contacts you wish to calculateSWITCH78={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.549913763999939}The switching functions to use for each of the contacts in your mapWEIGHT78=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS79=58,2489the atoms involved in each of the contacts you wish to calculateSWITCH79={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48523950576782227}The switching functions to use for each of the contacts in your mapWEIGHT79=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS80=58,2491the atoms involved in each of the contacts you wish to calculateSWITCH80={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40989378094673157}The switching functions to use for each of the contacts in your mapWEIGHT80=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS81=58,2493the atoms involved in each of the contacts you wish to calculateSWITCH81={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.39925074577331543}The switching functions to use for each of the contacts in your mapWEIGHT81=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS82=58,2568the atoms involved in each of the contacts you wish to calculateSWITCH82={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5655313730239868}The switching functions to use for each of the contacts in your mapWEIGHT82=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS83=58,2570the atoms involved in each of the contacts you wish to calculateSWITCH83={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.663913369178772}The switching functions to use for each of the contacts in your mapWEIGHT83=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS84=58,2573the atoms involved in each of the contacts you wish to calculateSWITCH84={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6409643292427063}The switching functions to use for each of the contacts in your mapWEIGHT84=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS85=58,2575the atoms involved in each of the contacts you wish to calculateSWITCH85={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7839983701705933}The switching functions to use for each of the contacts in your mapWEIGHT85=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS86=58,2579the atoms involved in each of the contacts you wish to calculateSWITCH86={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5671209096908569}The switching functions to use for each of the contacts in your mapWEIGHT86=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS87=58,2623the atoms involved in each of the contacts you wish to calculateSWITCH87={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5671552419662476}The switching functions to use for each of the contacts in your mapWEIGHT87=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS88=58,2625the atoms involved in each of the contacts you wish to calculateSWITCH88={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5086638927459717}The switching functions to use for each of the contacts in your mapWEIGHT88=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS89=58,2627the atoms involved in each of the contacts you wish to calculateSWITCH89={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.36042720079421997}The switching functions to use for each of the contacts in your mapWEIGHT89=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS90=58,2631the atoms involved in each of the contacts you wish to calculateSWITCH90={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5572584867477417}The switching functions to use for each of the contacts in your mapWEIGHT90=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS91=62,650the atoms involved in each of the contacts you wish to calculateSWITCH91={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.354487657546997}The switching functions to use for each of the contacts in your mapWEIGHT91=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS92=62,652the atoms involved in each of the contacts you wish to calculateSWITCH92={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3677843809127808}The switching functions to use for each of the contacts in your mapWEIGHT92=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS93=62,655the atoms involved in each of the contacts you wish to calculateSWITCH93={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.334823489189148}The switching functions to use for each of the contacts in your mapWEIGHT93=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS94=62,656the atoms involved in each of the contacts you wish to calculateSWITCH94={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2048041820526123}The switching functions to use for each of the contacts in your mapWEIGHT94=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS95=62,658the atoms involved in each of the contacts you wish to calculateSWITCH95={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1944276094436646}The switching functions to use for each of the contacts in your mapWEIGHT95=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS96=62,660the atoms involved in each of the contacts you wish to calculateSWITCH96={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3159247636795044}The switching functions to use for each of the contacts in your mapWEIGHT96=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS97=62,661the atoms involved in each of the contacts you wish to calculateSWITCH97={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3359824419021606}The switching functions to use for each of the contacts in your mapWEIGHT97=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS98=62,663the atoms involved in each of the contacts you wish to calculateSWITCH98={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4379020929336548}The switching functions to use for each of the contacts in your mapWEIGHT98=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS99=62,665the atoms involved in each of the contacts you wish to calculateSWITCH99={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4431474208831787}The switching functions to use for each of the contacts in your mapWEIGHT99=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS100=62,697the atoms involved in each of the contacts you wish to calculateSWITCH100={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2975057363510132}The switching functions to use for each of the contacts in your mapWEIGHT100=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS101=62,699the atoms involved in each of the contacts you wish to calculateSWITCH101={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1654417514801025}The switching functions to use for each of the contacts in your mapWEIGHT101=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS102=62,701the atoms involved in each of the contacts you wish to calculateSWITCH102={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0563324689865112}The switching functions to use for each of the contacts in your mapWEIGHT102=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS103=62,705the atoms involved in each of the contacts you wish to calculateSWITCH103={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1341760158538818}The switching functions to use for each of the contacts in your mapWEIGHT103=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS104=62,2479the atoms involved in each of the contacts you wish to calculateSWITCH104={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7048642039299011}The switching functions to use for each of the contacts in your mapWEIGHT104=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS105=62,2481the atoms involved in each of the contacts you wish to calculateSWITCH105={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6594332456588745}The switching functions to use for each of the contacts in your mapWEIGHT105=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS106=62,2484the atoms involved in each of the contacts you wish to calculateSWITCH106={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6096537709236145}The switching functions to use for each of the contacts in your mapWEIGHT106=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS107=62,2485the atoms involved in each of the contacts you wish to calculateSWITCH107={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7080790996551514}The switching functions to use for each of the contacts in your mapWEIGHT107=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS108=62,2487the atoms involved in each of the contacts you wish to calculateSWITCH108={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7031228542327881}The switching functions to use for each of the contacts in your mapWEIGHT108=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS109=62,2489the atoms involved in each of the contacts you wish to calculateSWITCH109={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6062591075897217}The switching functions to use for each of the contacts in your mapWEIGHT109=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS110=62,2491the atoms involved in each of the contacts you wish to calculateSWITCH110={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4959251284599304}The switching functions to use for each of the contacts in your mapWEIGHT110=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS111=62,2493the atoms involved in each of the contacts you wish to calculateSWITCH111={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4925505816936493}The switching functions to use for each of the contacts in your mapWEIGHT111=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS112=62,2568the atoms involved in each of the contacts you wish to calculateSWITCH112={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7281160354614258}The switching functions to use for each of the contacts in your mapWEIGHT112=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS113=62,2570the atoms involved in each of the contacts you wish to calculateSWITCH113={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8397489190101624}The switching functions to use for each of the contacts in your mapWEIGHT113=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS114=62,2573the atoms involved in each of the contacts you wish to calculateSWITCH114={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8220794796943665}The switching functions to use for each of the contacts in your mapWEIGHT114=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS115=62,2575the atoms involved in each of the contacts you wish to calculateSWITCH115={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9645364880561829}The switching functions to use for each of the contacts in your mapWEIGHT115=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS116=62,2579the atoms involved in each of the contacts you wish to calculateSWITCH116={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7776408791542053}The switching functions to use for each of the contacts in your mapWEIGHT116=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS117=62,2623the atoms involved in each of the contacts you wish to calculateSWITCH117={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7314549088478088}The switching functions to use for each of the contacts in your mapWEIGHT117=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS118=62,2625the atoms involved in each of the contacts you wish to calculateSWITCH118={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7140519618988037}The switching functions to use for each of the contacts in your mapWEIGHT118=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS119=62,2627the atoms involved in each of the contacts you wish to calculateSWITCH119={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5770829319953918}The switching functions to use for each of the contacts in your mapWEIGHT119=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS120=62,2631the atoms involved in each of the contacts you wish to calculateSWITCH120={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7765940427780151}The switching functions to use for each of the contacts in your mapWEIGHT120=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS121=65,650the atoms involved in each of the contacts you wish to calculateSWITCH121={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4116805791854858}The switching functions to use for each of the contacts in your mapWEIGHT121=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS122=65,652the atoms involved in each of the contacts you wish to calculateSWITCH122={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4393600225448608}The switching functions to use for each of the contacts in your mapWEIGHT122=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS123=65,655the atoms involved in each of the contacts you wish to calculateSWITCH123={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4169096946716309}The switching functions to use for each of the contacts in your mapWEIGHT123=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS124=65,656the atoms involved in each of the contacts you wish to calculateSWITCH124={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2902660369873047}The switching functions to use for each of the contacts in your mapWEIGHT124=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS125=65,658the atoms involved in each of the contacts you wish to calculateSWITCH125={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2903800010681152}The switching functions to use for each of the contacts in your mapWEIGHT125=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS126=65,660the atoms involved in each of the contacts you wish to calculateSWITCH126={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4162278175354004}The switching functions to use for each of the contacts in your mapWEIGHT126=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS127=65,661the atoms involved in each of the contacts you wish to calculateSWITCH127={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4425325393676758}The switching functions to use for each of the contacts in your mapWEIGHT127=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS128=65,663the atoms involved in each of the contacts you wish to calculateSWITCH128={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.5338178873062134}The switching functions to use for each of the contacts in your mapWEIGHT128=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS129=65,665the atoms involved in each of the contacts you wish to calculateSWITCH129={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.5310858488082886}The switching functions to use for each of the contacts in your mapWEIGHT129=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS130=65,697the atoms involved in each of the contacts you wish to calculateSWITCH130={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3220356702804565}The switching functions to use for each of the contacts in your mapWEIGHT130=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS131=65,699the atoms involved in each of the contacts you wish to calculateSWITCH131={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1986850500106812}The switching functions to use for each of the contacts in your mapWEIGHT131=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS132=65,701the atoms involved in each of the contacts you wish to calculateSWITCH132={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.088498830795288}The switching functions to use for each of the contacts in your mapWEIGHT132=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS133=65,705the atoms involved in each of the contacts you wish to calculateSWITCH133={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1592966318130493}The switching functions to use for each of the contacts in your mapWEIGHT133=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS134=65,2479the atoms involved in each of the contacts you wish to calculateSWITCH134={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6053969264030457}The switching functions to use for each of the contacts in your mapWEIGHT134=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS135=65,2481the atoms involved in each of the contacts you wish to calculateSWITCH135={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5823349952697754}The switching functions to use for each of the contacts in your mapWEIGHT135=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS136=65,2484the atoms involved in each of the contacts you wish to calculateSWITCH136={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5270158052444458}The switching functions to use for each of the contacts in your mapWEIGHT136=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS137=65,2485the atoms involved in each of the contacts you wish to calculateSWITCH137={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6320711374282837}The switching functions to use for each of the contacts in your mapWEIGHT137=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS138=65,2487the atoms involved in each of the contacts you wish to calculateSWITCH138={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6308293342590332}The switching functions to use for each of the contacts in your mapWEIGHT138=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS139=65,2489the atoms involved in each of the contacts you wish to calculateSWITCH139={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5300132632255554}The switching functions to use for each of the contacts in your mapWEIGHT139=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS140=65,2491the atoms involved in each of the contacts you wish to calculateSWITCH140={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4038487672805786}The switching functions to use for each of the contacts in your mapWEIGHT140=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS141=65,2493the atoms involved in each of the contacts you wish to calculateSWITCH141={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3975047171115875}The switching functions to use for each of the contacts in your mapWEIGHT141=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS142=65,2568the atoms involved in each of the contacts you wish to calculateSWITCH142={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7685105800628662}The switching functions to use for each of the contacts in your mapWEIGHT142=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS143=65,2570the atoms involved in each of the contacts you wish to calculateSWITCH143={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8603217601776123}The switching functions to use for each of the contacts in your mapWEIGHT143=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS144=65,2573the atoms involved in each of the contacts you wish to calculateSWITCH144={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8178876638412476}The switching functions to use for each of the contacts in your mapWEIGHT144=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS145=65,2575the atoms involved in each of the contacts you wish to calculateSWITCH145={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9487403035163879}The switching functions to use for each of the contacts in your mapWEIGHT145=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS146=65,2579the atoms involved in each of the contacts you wish to calculateSWITCH146={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7745791673660278}The switching functions to use for each of the contacts in your mapWEIGHT146=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS147=65,2623the atoms involved in each of the contacts you wish to calculateSWITCH147={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8527284860610962}The switching functions to use for each of the contacts in your mapWEIGHT147=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS148=65,2625the atoms involved in each of the contacts you wish to calculateSWITCH148={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8166882395744324}The switching functions to use for each of the contacts in your mapWEIGHT148=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS149=65,2627the atoms involved in each of the contacts you wish to calculateSWITCH149={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.672263503074646}The switching functions to use for each of the contacts in your mapWEIGHT149=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS150=65,2631the atoms involved in each of the contacts you wish to calculateSWITCH150={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8629679679870605}The switching functions to use for each of the contacts in your mapWEIGHT150=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS151=73,650the atoms involved in each of the contacts you wish to calculateSWITCH151={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9309435486793518}The switching functions to use for each of the contacts in your mapWEIGHT151=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS152=73,652the atoms involved in each of the contacts you wish to calculateSWITCH152={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9082626700401306}The switching functions to use for each of the contacts in your mapWEIGHT152=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS153=73,655the atoms involved in each of the contacts you wish to calculateSWITCH153={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9031504392623901}The switching functions to use for each of the contacts in your mapWEIGHT153=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS154=73,656the atoms involved in each of the contacts you wish to calculateSWITCH154={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.800478458404541}The switching functions to use for each of the contacts in your mapWEIGHT154=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS155=73,658the atoms involved in each of the contacts you wish to calculateSWITCH155={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8262046575546265}The switching functions to use for each of the contacts in your mapWEIGHT155=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS156=73,660the atoms involved in each of the contacts you wish to calculateSWITCH156={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9544553756713867}The switching functions to use for each of the contacts in your mapWEIGHT156=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS157=73,661the atoms involved in each of the contacts you wish to calculateSWITCH157={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0169137716293335}The switching functions to use for each of the contacts in your mapWEIGHT157=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS158=73,663the atoms involved in each of the contacts you wish to calculateSWITCH158={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0473077297210693}The switching functions to use for each of the contacts in your mapWEIGHT158=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS159=73,665the atoms involved in each of the contacts you wish to calculateSWITCH159={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0195348262786865}The switching functions to use for each of the contacts in your mapWEIGHT159=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS160=73,697the atoms involved in each of the contacts you wish to calculateSWITCH160={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0869590044021606}The switching functions to use for each of the contacts in your mapWEIGHT160=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS161=73,699the atoms involved in each of the contacts you wish to calculateSWITCH161={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9369574785232544}The switching functions to use for each of the contacts in your mapWEIGHT161=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS162=73,701the atoms involved in each of the contacts you wish to calculateSWITCH162={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8988440632820129}The switching functions to use for each of the contacts in your mapWEIGHT162=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS163=73,705the atoms involved in each of the contacts you wish to calculateSWITCH163={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8754950165748596}The switching functions to use for each of the contacts in your mapWEIGHT163=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS164=73,2479the atoms involved in each of the contacts you wish to calculateSWITCH164={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0344990491867065}The switching functions to use for each of the contacts in your mapWEIGHT164=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS165=73,2481the atoms involved in each of the contacts you wish to calculateSWITCH165={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9126667976379395}The switching functions to use for each of the contacts in your mapWEIGHT165=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS166=73,2484the atoms involved in each of the contacts you wish to calculateSWITCH166={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8167228102684021}The switching functions to use for each of the contacts in your mapWEIGHT166=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS167=73,2485the atoms involved in each of the contacts you wish to calculateSWITCH167={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8182058334350586}The switching functions to use for each of the contacts in your mapWEIGHT167=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS168=73,2487the atoms involved in each of the contacts you wish to calculateSWITCH168={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7491015195846558}The switching functions to use for each of the contacts in your mapWEIGHT168=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS169=73,2489the atoms involved in each of the contacts you wish to calculateSWITCH169={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6819535493850708}The switching functions to use for each of the contacts in your mapWEIGHT169=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS170=73,2491the atoms involved in each of the contacts you wish to calculateSWITCH170={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6930801868438721}The switching functions to use for each of the contacts in your mapWEIGHT170=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS171=73,2493the atoms involved in each of the contacts you wish to calculateSWITCH171={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7579741477966309}The switching functions to use for each of the contacts in your mapWEIGHT171=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS172=73,2568the atoms involved in each of the contacts you wish to calculateSWITCH172={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8844940066337585}The switching functions to use for each of the contacts in your mapWEIGHT172=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS173=73,2570the atoms involved in each of the contacts you wish to calculateSWITCH173={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9762383103370667}The switching functions to use for each of the contacts in your mapWEIGHT173=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS174=73,2573the atoms involved in each of the contacts you wish to calculateSWITCH174={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9711946845054626}The switching functions to use for each of the contacts in your mapWEIGHT174=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS175=73,2575the atoms involved in each of the contacts you wish to calculateSWITCH175={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1013449430465698}The switching functions to use for each of the contacts in your mapWEIGHT175=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS176=73,2579the atoms involved in each of the contacts you wish to calculateSWITCH176={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8563979864120483}The switching functions to use for each of the contacts in your mapWEIGHT176=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS177=73,2623the atoms involved in each of the contacts you wish to calculateSWITCH177={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5388705730438232}The switching functions to use for each of the contacts in your mapWEIGHT177=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS178=73,2625the atoms involved in each of the contacts you wish to calculateSWITCH178={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48216524720191956}The switching functions to use for each of the contacts in your mapWEIGHT178=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS179=73,2627the atoms involved in each of the contacts you wish to calculateSWITCH179={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.395525187253952}The switching functions to use for each of the contacts in your mapWEIGHT179=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS180=73,2631the atoms involved in each of the contacts you wish to calculateSWITCH180={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6100140810012817}The switching functions to use for each of the contacts in your mapWEIGHT180=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS181=75,650the atoms involved in each of the contacts you wish to calculateSWITCH181={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9557713270187378}The switching functions to use for each of the contacts in your mapWEIGHT181=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS182=75,652the atoms involved in each of the contacts you wish to calculateSWITCH182={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9094404578208923}The switching functions to use for each of the contacts in your mapWEIGHT182=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS183=75,655the atoms involved in each of the contacts you wish to calculateSWITCH183={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8884962201118469}The switching functions to use for each of the contacts in your mapWEIGHT183=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS184=75,656the atoms involved in each of the contacts you wish to calculateSWITCH184={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7862153649330139}The switching functions to use for each of the contacts in your mapWEIGHT184=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS185=75,658the atoms involved in each of the contacts you wish to calculateSWITCH185={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7945192456245422}The switching functions to use for each of the contacts in your mapWEIGHT185=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS186=75,660the atoms involved in each of the contacts you wish to calculateSWITCH186={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9109082818031311}The switching functions to use for each of the contacts in your mapWEIGHT186=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS187=75,661the atoms involved in each of the contacts you wish to calculateSWITCH187={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9635561108589172}The switching functions to use for each of the contacts in your mapWEIGHT187=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS188=75,663the atoms involved in each of the contacts you wish to calculateSWITCH188={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0070005655288696}The switching functions to use for each of the contacts in your mapWEIGHT188=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS189=75,665the atoms involved in each of the contacts you wish to calculateSWITCH189={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9915522933006287}The switching functions to use for each of the contacts in your mapWEIGHT189=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS190=75,697the atoms involved in each of the contacts you wish to calculateSWITCH190={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1489417552947998}The switching functions to use for each of the contacts in your mapWEIGHT190=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS191=75,699the atoms involved in each of the contacts you wish to calculateSWITCH191={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9966095089912415}The switching functions to use for each of the contacts in your mapWEIGHT191=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS192=75,701the atoms involved in each of the contacts you wish to calculateSWITCH192={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9612875580787659}The switching functions to use for each of the contacts in your mapWEIGHT192=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS193=75,705the atoms involved in each of the contacts you wish to calculateSWITCH193={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9491009712219238}The switching functions to use for each of the contacts in your mapWEIGHT193=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS194=75,2479the atoms involved in each of the contacts you wish to calculateSWITCH194={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.15557861328125}The switching functions to use for each of the contacts in your mapWEIGHT194=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS195=75,2481the atoms involved in each of the contacts you wish to calculateSWITCH195={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0345193147659302}The switching functions to use for each of the contacts in your mapWEIGHT195=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS196=75,2484the atoms involved in each of the contacts you wish to calculateSWITCH196={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9492130875587463}The switching functions to use for each of the contacts in your mapWEIGHT196=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS197=75,2485the atoms involved in each of the contacts you wish to calculateSWITCH197={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9583811163902283}The switching functions to use for each of the contacts in your mapWEIGHT197=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS198=75,2487the atoms involved in each of the contacts you wish to calculateSWITCH198={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8964009284973145}The switching functions to use for each of the contacts in your mapWEIGHT198=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS199=75,2489the atoms involved in each of the contacts you wish to calculateSWITCH199={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8301289677619934}The switching functions to use for each of the contacts in your mapWEIGHT199=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS200=75,2491the atoms involved in each of the contacts you wish to calculateSWITCH200={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.832676112651825}The switching functions to use for each of the contacts in your mapWEIGHT200=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS201=75,2493the atoms involved in each of the contacts you wish to calculateSWITCH201={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8890749216079712}The switching functions to use for each of the contacts in your mapWEIGHT201=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS202=75,2568the atoms involved in each of the contacts you wish to calculateSWITCH202={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9343194961547852}The switching functions to use for each of the contacts in your mapWEIGHT202=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS203=75,2570the atoms involved in each of the contacts you wish to calculateSWITCH203={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0376794338226318}The switching functions to use for each of the contacts in your mapWEIGHT203=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS204=75,2573the atoms involved in each of the contacts you wish to calculateSWITCH204={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0528762340545654}The switching functions to use for each of the contacts in your mapWEIGHT204=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS205=75,2575the atoms involved in each of the contacts you wish to calculateSWITCH205={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.186965823173523}The switching functions to use for each of the contacts in your mapWEIGHT205=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS206=75,2579the atoms involved in each of the contacts you wish to calculateSWITCH206={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9479856491088867}The switching functions to use for each of the contacts in your mapWEIGHT206=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS207=75,2623the atoms involved in each of the contacts you wish to calculateSWITCH207={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49890923500061035}The switching functions to use for each of the contacts in your mapWEIGHT207=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS208=75,2625the atoms involved in each of the contacts you wish to calculateSWITCH208={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4806707203388214}The switching functions to use for each of the contacts in your mapWEIGHT208=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS209=75,2627the atoms involved in each of the contacts you wish to calculateSWITCH209={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4315405786037445}The switching functions to use for each of the contacts in your mapWEIGHT209=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS210=75,2631the atoms involved in each of the contacts you wish to calculateSWITCH210={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6263275146484375}The switching functions to use for each of the contacts in your mapWEIGHT210=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS211=78,650the atoms involved in each of the contacts you wish to calculateSWITCH211={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8566506505012512}The switching functions to use for each of the contacts in your mapWEIGHT211=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS212=78,652the atoms involved in each of the contacts you wish to calculateSWITCH212={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7954189777374268}The switching functions to use for each of the contacts in your mapWEIGHT212=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS213=78,655the atoms involved in each of the contacts you wish to calculateSWITCH213={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.779197633266449}The switching functions to use for each of the contacts in your mapWEIGHT213=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS214=78,656the atoms involved in each of the contacts you wish to calculateSWITCH214={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6903489828109741}The switching functions to use for each of the contacts in your mapWEIGHT214=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS215=78,658the atoms involved in each of the contacts you wish to calculateSWITCH215={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7073019742965698}The switching functions to use for each of the contacts in your mapWEIGHT215=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS216=78,660the atoms involved in each of the contacts you wish to calculateSWITCH216={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8185909986495972}The switching functions to use for each of the contacts in your mapWEIGHT216=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS217=78,661the atoms involved in each of the contacts you wish to calculateSWITCH217={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8821538686752319}The switching functions to use for each of the contacts in your mapWEIGHT217=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS218=78,663the atoms involved in each of the contacts you wish to calculateSWITCH218={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9021505117416382}The switching functions to use for each of the contacts in your mapWEIGHT218=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS219=78,665the atoms involved in each of the contacts you wish to calculateSWITCH219={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8788227438926697}The switching functions to use for each of the contacts in your mapWEIGHT219=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS220=78,697the atoms involved in each of the contacts you wish to calculateSWITCH220={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1063374280929565}The switching functions to use for each of the contacts in your mapWEIGHT220=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS221=78,699the atoms involved in each of the contacts you wish to calculateSWITCH221={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9565300941467285}The switching functions to use for each of the contacts in your mapWEIGHT221=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS222=78,701the atoms involved in each of the contacts you wish to calculateSWITCH222={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9421437382698059}The switching functions to use for each of the contacts in your mapWEIGHT222=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS223=78,705the atoms involved in each of the contacts you wish to calculateSWITCH223={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9087143540382385}The switching functions to use for each of the contacts in your mapWEIGHT223=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS224=78,2479the atoms involved in each of the contacts you wish to calculateSWITCH224={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2466806173324585}The switching functions to use for each of the contacts in your mapWEIGHT224=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS225=78,2481the atoms involved in each of the contacts you wish to calculateSWITCH225={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1162512302398682}The switching functions to use for each of the contacts in your mapWEIGHT225=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS226=78,2484the atoms involved in each of the contacts you wish to calculateSWITCH226={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.032570719718933}The switching functions to use for each of the contacts in your mapWEIGHT226=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS227=78,2485the atoms involved in each of the contacts you wish to calculateSWITCH227={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.026920199394226}The switching functions to use for each of the contacts in your mapWEIGHT227=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS228=78,2487the atoms involved in each of the contacts you wish to calculateSWITCH228={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9632880091667175}The switching functions to use for each of the contacts in your mapWEIGHT228=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS229=78,2489the atoms involved in each of the contacts you wish to calculateSWITCH229={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9124829173088074}The switching functions to use for each of the contacts in your mapWEIGHT229=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS230=78,2491the atoms involved in each of the contacts you wish to calculateSWITCH230={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9318563342094421}The switching functions to use for each of the contacts in your mapWEIGHT230=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS231=78,2493the atoms involved in each of the contacts you wish to calculateSWITCH231={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9879124760627747}The switching functions to use for each of the contacts in your mapWEIGHT231=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS232=78,2568the atoms involved in each of the contacts you wish to calculateSWITCH232={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9894007444381714}The switching functions to use for each of the contacts in your mapWEIGHT232=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS233=78,2570the atoms involved in each of the contacts you wish to calculateSWITCH233={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0825958251953125}The switching functions to use for each of the contacts in your mapWEIGHT233=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS234=78,2573the atoms involved in each of the contacts you wish to calculateSWITCH234={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1024270057678223}The switching functions to use for each of the contacts in your mapWEIGHT234=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS235=78,2575the atoms involved in each of the contacts you wish to calculateSWITCH235={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2279303073883057}The switching functions to use for each of the contacts in your mapWEIGHT235=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS236=78,2579the atoms involved in each of the contacts you wish to calculateSWITCH236={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9914906024932861}The switching functions to use for each of the contacts in your mapWEIGHT236=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS237=78,2623the atoms involved in each of the contacts you wish to calculateSWITCH237={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5147303938865662}The switching functions to use for each of the contacts in your mapWEIGHT237=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS238=78,2625the atoms involved in each of the contacts you wish to calculateSWITCH238={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48978909850120544}The switching functions to use for each of the contacts in your mapWEIGHT238=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS239=78,2627the atoms involved in each of the contacts you wish to calculateSWITCH239={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4794395864009857}The switching functions to use for each of the contacts in your mapWEIGHT239=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS240=78,2631the atoms involved in each of the contacts you wish to calculateSWITCH240={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6308432221412659}The switching functions to use for each of the contacts in your mapWEIGHT240=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS241=79,650the atoms involved in each of the contacts you wish to calculateSWITCH241={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7754189372062683}The switching functions to use for each of the contacts in your mapWEIGHT241=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS242=79,652the atoms involved in each of the contacts you wish to calculateSWITCH242={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7017617225646973}The switching functions to use for each of the contacts in your mapWEIGHT242=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS243=79,655the atoms involved in each of the contacts you wish to calculateSWITCH243={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6671515703201294}The switching functions to use for each of the contacts in your mapWEIGHT243=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS244=79,656the atoms involved in each of the contacts you wish to calculateSWITCH244={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750181674957275}The switching functions to use for each of the contacts in your mapWEIGHT244=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS245=79,658the atoms involved in each of the contacts you wish to calculateSWITCH245={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793154835700989}The switching functions to use for each of the contacts in your mapWEIGHT245=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS246=79,660the atoms involved in each of the contacts you wish to calculateSWITCH246={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.684518575668335}The switching functions to use for each of the contacts in your mapWEIGHT246=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS247=79,661the atoms involved in each of the contacts you wish to calculateSWITCH247={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7448719143867493}The switching functions to use for each of the contacts in your mapWEIGHT247=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS248=79,663the atoms involved in each of the contacts you wish to calculateSWITCH248={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.771101713180542}The switching functions to use for each of the contacts in your mapWEIGHT248=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS249=79,665the atoms involved in each of the contacts you wish to calculateSWITCH249={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7575629353523254}The switching functions to use for each of the contacts in your mapWEIGHT249=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS250=79,697the atoms involved in each of the contacts you wish to calculateSWITCH250={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0357543230056763}The switching functions to use for each of the contacts in your mapWEIGHT250=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS251=79,699the atoms involved in each of the contacts you wish to calculateSWITCH251={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8874210715293884}The switching functions to use for each of the contacts in your mapWEIGHT251=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS252=79,701the atoms involved in each of the contacts you wish to calculateSWITCH252={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8769866228103638}The switching functions to use for each of the contacts in your mapWEIGHT252=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS253=79,705the atoms involved in each of the contacts you wish to calculateSWITCH253={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8558913469314575}The switching functions to use for each of the contacts in your mapWEIGHT253=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS254=79,2479the atoms involved in each of the contacts you wish to calculateSWITCH254={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2742069959640503}The switching functions to use for each of the contacts in your mapWEIGHT254=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS255=79,2481the atoms involved in each of the contacts you wish to calculateSWITCH255={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1387840509414673}The switching functions to use for each of the contacts in your mapWEIGHT255=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS256=79,2484the atoms involved in each of the contacts you wish to calculateSWITCH256={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.069981575012207}The switching functions to use for each of the contacts in your mapWEIGHT256=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS257=79,2485the atoms involved in each of the contacts you wish to calculateSWITCH257={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0656366348266602}The switching functions to use for each of the contacts in your mapWEIGHT257=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS258=79,2487the atoms involved in each of the contacts you wish to calculateSWITCH258={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0160815715789795}The switching functions to use for each of the contacts in your mapWEIGHT258=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS259=79,2489the atoms involved in each of the contacts you wish to calculateSWITCH259={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.980177104473114}The switching functions to use for each of the contacts in your mapWEIGHT259=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS260=79,2491the atoms involved in each of the contacts you wish to calculateSWITCH260={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9979470372200012}The switching functions to use for each of the contacts in your mapWEIGHT260=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS261=79,2493the atoms involved in each of the contacts you wish to calculateSWITCH261={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0383280515670776}The switching functions to use for each of the contacts in your mapWEIGHT261=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS262=79,2568the atoms involved in each of the contacts you wish to calculateSWITCH262={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9466512799263}The switching functions to use for each of the contacts in your mapWEIGHT262=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS263=79,2570the atoms involved in each of the contacts you wish to calculateSWITCH263={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0373796224594116}The switching functions to use for each of the contacts in your mapWEIGHT263=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS264=79,2573the atoms involved in each of the contacts you wish to calculateSWITCH264={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0720549821853638}The switching functions to use for each of the contacts in your mapWEIGHT264=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS265=79,2575the atoms involved in each of the contacts you wish to calculateSWITCH265={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.193489670753479}The switching functions to use for each of the contacts in your mapWEIGHT265=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS266=79,2579the atoms involved in each of the contacts you wish to calculateSWITCH266={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9678182601928711}The switching functions to use for each of the contacts in your mapWEIGHT266=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS267=79,2623the atoms involved in each of the contacts you wish to calculateSWITCH267={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43549710512161255}The switching functions to use for each of the contacts in your mapWEIGHT267=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS268=79,2625the atoms involved in each of the contacts you wish to calculateSWITCH268={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42063960433006287}The switching functions to use for each of the contacts in your mapWEIGHT268=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS269=79,2627the atoms involved in each of the contacts you wish to calculateSWITCH269={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45383113622665405}The switching functions to use for each of the contacts in your mapWEIGHT269=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS270=79,2631the atoms involved in each of the contacts you wish to calculateSWITCH270={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5564976930618286}The switching functions to use for each of the contacts in your mapWEIGHT270=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS271=81,650the atoms involved in each of the contacts you wish to calculateSWITCH271={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7221040725708008}The switching functions to use for each of the contacts in your mapWEIGHT271=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS272=81,652the atoms involved in each of the contacts you wish to calculateSWITCH272={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6284149289131165}The switching functions to use for each of the contacts in your mapWEIGHT272=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS273=81,655the atoms involved in each of the contacts you wish to calculateSWITCH273={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5999292135238647}The switching functions to use for each of the contacts in your mapWEIGHT273=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS274=81,656the atoms involved in each of the contacts you wish to calculateSWITCH274={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5315840244293213}The switching functions to use for each of the contacts in your mapWEIGHT274=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS275=81,658the atoms involved in each of the contacts you wish to calculateSWITCH275={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545782208442688}The switching functions to use for each of the contacts in your mapWEIGHT275=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS276=81,660the atoms involved in each of the contacts you wish to calculateSWITCH276={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6372515559196472}The switching functions to use for each of the contacts in your mapWEIGHT276=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS277=81,661the atoms involved in each of the contacts you wish to calculateSWITCH277={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.708910346031189}The switching functions to use for each of the contacts in your mapWEIGHT277=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS278=81,663the atoms involved in each of the contacts you wish to calculateSWITCH278={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7040637135505676}The switching functions to use for each of the contacts in your mapWEIGHT278=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS279=81,665the atoms involved in each of the contacts you wish to calculateSWITCH279={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6811647415161133}The switching functions to use for each of the contacts in your mapWEIGHT279=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS280=81,697the atoms involved in each of the contacts you wish to calculateSWITCH280={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0424482822418213}The switching functions to use for each of the contacts in your mapWEIGHT280=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS281=81,699the atoms involved in each of the contacts you wish to calculateSWITCH281={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9012321829795837}The switching functions to use for each of the contacts in your mapWEIGHT281=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS282=81,701the atoms involved in each of the contacts you wish to calculateSWITCH282={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9126427173614502}The switching functions to use for each of the contacts in your mapWEIGHT282=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS283=81,705the atoms involved in each of the contacts you wish to calculateSWITCH283={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8698651194572449}The switching functions to use for each of the contacts in your mapWEIGHT283=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS284=81,2479the atoms involved in each of the contacts you wish to calculateSWITCH284={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3852286338806152}The switching functions to use for each of the contacts in your mapWEIGHT284=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS285=81,2481the atoms involved in each of the contacts you wish to calculateSWITCH285={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2452101707458496}The switching functions to use for each of the contacts in your mapWEIGHT285=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS286=81,2484the atoms involved in each of the contacts you wish to calculateSWITCH286={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1761393547058105}The switching functions to use for each of the contacts in your mapWEIGHT286=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS287=81,2485the atoms involved in each of the contacts you wish to calculateSWITCH287={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1606122255325317}The switching functions to use for each of the contacts in your mapWEIGHT287=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS288=81,2487the atoms involved in each of the contacts you wish to calculateSWITCH288={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1081088781356812}The switching functions to use for each of the contacts in your mapWEIGHT288=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS289=81,2489the atoms involved in each of the contacts you wish to calculateSWITCH289={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0811302661895752}The switching functions to use for each of the contacts in your mapWEIGHT289=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS290=81,2491the atoms involved in each of the contacts you wish to calculateSWITCH290={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.110593318939209}The switching functions to use for each of the contacts in your mapWEIGHT290=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS291=81,2493the atoms involved in each of the contacts you wish to calculateSWITCH291={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1534264087677002}The switching functions to use for each of the contacts in your mapWEIGHT291=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS292=81,2568the atoms involved in each of the contacts you wish to calculateSWITCH292={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0436205863952637}The switching functions to use for each of the contacts in your mapWEIGHT292=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS293=81,2570the atoms involved in each of the contacts you wish to calculateSWITCH293={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1244854927062988}The switching functions to use for each of the contacts in your mapWEIGHT293=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS294=81,2573the atoms involved in each of the contacts you wish to calculateSWITCH294={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1611239910125732}The switching functions to use for each of the contacts in your mapWEIGHT294=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS295=81,2575the atoms involved in each of the contacts you wish to calculateSWITCH295={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.27351975440979}The switching functions to use for each of the contacts in your mapWEIGHT295=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS296=81,2579the atoms involved in each of the contacts you wish to calculateSWITCH296={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0538326501846313}The switching functions to use for each of the contacts in your mapWEIGHT296=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS297=81,2623the atoms involved in each of the contacts you wish to calculateSWITCH297={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294727683067322}The switching functions to use for each of the contacts in your mapWEIGHT297=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS298=81,2625the atoms involved in each of the contacts you wish to calculateSWITCH298={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.512668788433075}The switching functions to use for each of the contacts in your mapWEIGHT298=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS299=81,2627the atoms involved in each of the contacts you wish to calculateSWITCH299={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677062273025513}The switching functions to use for each of the contacts in your mapWEIGHT299=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS300=81,2631the atoms involved in each of the contacts you wish to calculateSWITCH300={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6317002177238464}The switching functions to use for each of the contacts in your mapWEIGHT300=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS301=83,650the atoms involved in each of the contacts you wish to calculateSWITCH301={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7567639350891113}The switching functions to use for each of the contacts in your mapWEIGHT301=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS302=83,652the atoms involved in each of the contacts you wish to calculateSWITCH302={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.660020112991333}The switching functions to use for each of the contacts in your mapWEIGHT302=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS303=83,655the atoms involved in each of the contacts you wish to calculateSWITCH303={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.658077597618103}The switching functions to use for each of the contacts in your mapWEIGHT303=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS304=83,656the atoms involved in each of the contacts you wish to calculateSWITCH304={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6139795184135437}The switching functions to use for each of the contacts in your mapWEIGHT304=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS305=83,658the atoms involved in each of the contacts you wish to calculateSWITCH305={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6478961110115051}The switching functions to use for each of the contacts in your mapWEIGHT305=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS306=83,660the atoms involved in each of the contacts you wish to calculateSWITCH306={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7335739731788635}The switching functions to use for each of the contacts in your mapWEIGHT306=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS307=83,661the atoms involved in each of the contacts you wish to calculateSWITCH307={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8154194355010986}The switching functions to use for each of the contacts in your mapWEIGHT307=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS308=83,663the atoms involved in each of the contacts you wish to calculateSWITCH308={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7802172303199768}The switching functions to use for each of the contacts in your mapWEIGHT308=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS309=83,665the atoms involved in each of the contacts you wish to calculateSWITCH309={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7394839525222778}The switching functions to use for each of the contacts in your mapWEIGHT309=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS310=83,697the atoms involved in each of the contacts you wish to calculateSWITCH310={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1171554327011108}The switching functions to use for each of the contacts in your mapWEIGHT310=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS311=83,699the atoms involved in each of the contacts you wish to calculateSWITCH311={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9806197881698608}The switching functions to use for each of the contacts in your mapWEIGHT311=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS312=83,701the atoms involved in each of the contacts you wish to calculateSWITCH312={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0061144828796387}The switching functions to use for each of the contacts in your mapWEIGHT312=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS313=83,705the atoms involved in each of the contacts you wish to calculateSWITCH313={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9345998764038086}The switching functions to use for each of the contacts in your mapWEIGHT313=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS314=83,2479the atoms involved in each of the contacts you wish to calculateSWITCH314={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.466135859489441}The switching functions to use for each of the contacts in your mapWEIGHT314=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS315=83,2481the atoms involved in each of the contacts you wish to calculateSWITCH315={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3258153200149536}The switching functions to use for each of the contacts in your mapWEIGHT315=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS316=83,2484the atoms involved in each of the contacts you wish to calculateSWITCH316={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2447415590286255}The switching functions to use for each of the contacts in your mapWEIGHT316=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS317=83,2485the atoms involved in each of the contacts you wish to calculateSWITCH317={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2184197902679443}The switching functions to use for each of the contacts in your mapWEIGHT317=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS318=83,2487the atoms involved in each of the contacts you wish to calculateSWITCH318={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1522496938705444}The switching functions to use for each of the contacts in your mapWEIGHT318=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS319=83,2489the atoms involved in each of the contacts you wish to calculateSWITCH319={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.121885061264038}The switching functions to use for each of the contacts in your mapWEIGHT319=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS320=83,2491the atoms involved in each of the contacts you wish to calculateSWITCH320={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.162964105606079}The switching functions to use for each of the contacts in your mapWEIGHT320=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS321=83,2493the atoms involved in each of the contacts you wish to calculateSWITCH321={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.219750165939331}The switching functions to use for each of the contacts in your mapWEIGHT321=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS322=83,2568the atoms involved in each of the contacts you wish to calculateSWITCH322={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1667243242263794}The switching functions to use for each of the contacts in your mapWEIGHT322=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS323=83,2570the atoms involved in each of the contacts you wish to calculateSWITCH323={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2427983283996582}The switching functions to use for each of the contacts in your mapWEIGHT323=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS324=83,2573the atoms involved in each of the contacts you wish to calculateSWITCH324={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2692457437515259}The switching functions to use for each of the contacts in your mapWEIGHT324=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS325=83,2575the atoms involved in each of the contacts you wish to calculateSWITCH325={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3783092498779297}The switching functions to use for each of the contacts in your mapWEIGHT325=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS326=83,2579the atoms involved in each of the contacts you wish to calculateSWITCH326={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1534093618392944}The switching functions to use for each of the contacts in your mapWEIGHT326=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS327=83,2623the atoms involved in each of the contacts you wish to calculateSWITCH327={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6664283871650696}The switching functions to use for each of the contacts in your mapWEIGHT327=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS328=83,2625the atoms involved in each of the contacts you wish to calculateSWITCH328={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6408188343048096}The switching functions to use for each of the contacts in your mapWEIGHT328=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS329=83,2627the atoms involved in each of the contacts you wish to calculateSWITCH329={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6807906031608582}The switching functions to use for each of the contacts in your mapWEIGHT329=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS330=83,2631the atoms involved in each of the contacts you wish to calculateSWITCH330={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7577747702598572}The switching functions to use for each of the contacts in your mapWEIGHT330=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS331=84,650the atoms involved in each of the contacts you wish to calculateSWITCH331={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7489091157913208}The switching functions to use for each of the contacts in your mapWEIGHT331=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS332=84,652the atoms involved in each of the contacts you wish to calculateSWITCH332={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.634943962097168}The switching functions to use for each of the contacts in your mapWEIGHT332=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS333=84,655the atoms involved in each of the contacts you wish to calculateSWITCH333={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6382222175598145}The switching functions to use for each of the contacts in your mapWEIGHT333=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS334=84,656the atoms involved in each of the contacts you wish to calculateSWITCH334={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6211105585098267}The switching functions to use for each of the contacts in your mapWEIGHT334=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS335=84,658the atoms involved in each of the contacts you wish to calculateSWITCH335={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6585385799407959}The switching functions to use for each of the contacts in your mapWEIGHT335=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS336=84,660the atoms involved in each of the contacts you wish to calculateSWITCH336={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7242143750190735}The switching functions to use for each of the contacts in your mapWEIGHT336=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS337=84,661the atoms involved in each of the contacts you wish to calculateSWITCH337={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8102027773857117}The switching functions to use for each of the contacts in your mapWEIGHT337=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS338=84,663the atoms involved in each of the contacts you wish to calculateSWITCH338={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7491664886474609}The switching functions to use for each of the contacts in your mapWEIGHT338=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS339=84,665the atoms involved in each of the contacts you wish to calculateSWITCH339={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7025509476661682}The switching functions to use for each of the contacts in your mapWEIGHT339=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS340=84,697the atoms involved in each of the contacts you wish to calculateSWITCH340={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1520562171936035}The switching functions to use for each of the contacts in your mapWEIGHT340=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS341=84,699the atoms involved in each of the contacts you wish to calculateSWITCH341={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0246309041976929}The switching functions to use for each of the contacts in your mapWEIGHT341=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS342=84,701the atoms involved in each of the contacts you wish to calculateSWITCH342={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0658600330352783}The switching functions to use for each of the contacts in your mapWEIGHT342=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS343=84,705the atoms involved in each of the contacts you wish to calculateSWITCH343={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9825854301452637}The switching functions to use for each of the contacts in your mapWEIGHT343=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS344=84,2479the atoms involved in each of the contacts you wish to calculateSWITCH344={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.5834206342697144}The switching functions to use for each of the contacts in your mapWEIGHT344=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS345=84,2481the atoms involved in each of the contacts you wish to calculateSWITCH345={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.440293788909912}The switching functions to use for each of the contacts in your mapWEIGHT345=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS346=84,2484the atoms involved in each of the contacts you wish to calculateSWITCH346={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3616539239883423}The switching functions to use for each of the contacts in your mapWEIGHT346=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS347=84,2485the atoms involved in each of the contacts you wish to calculateSWITCH347={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3292263746261597}The switching functions to use for each of the contacts in your mapWEIGHT347=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS348=84,2487the atoms involved in each of the contacts you wish to calculateSWITCH348={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2636436223983765}The switching functions to use for each of the contacts in your mapWEIGHT348=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS349=84,2489the atoms involved in each of the contacts you wish to calculateSWITCH349={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2405177354812622}The switching functions to use for each of the contacts in your mapWEIGHT349=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS350=84,2491the atoms involved in each of the contacts you wish to calculateSWITCH350={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2875696420669556}The switching functions to use for each of the contacts in your mapWEIGHT350=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS351=84,2493the atoms involved in each of the contacts you wish to calculateSWITCH351={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3434101343154907}The switching functions to use for each of the contacts in your mapWEIGHT351=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS352=84,2568the atoms involved in each of the contacts you wish to calculateSWITCH352={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2649725675582886}The switching functions to use for each of the contacts in your mapWEIGHT352=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS353=84,2570the atoms involved in each of the contacts you wish to calculateSWITCH353={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.33474862575531}The switching functions to use for each of the contacts in your mapWEIGHT353=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS354=84,2573the atoms involved in each of the contacts you wish to calculateSWITCH354={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3651251792907715}The switching functions to use for each of the contacts in your mapWEIGHT354=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS355=84,2575the atoms involved in each of the contacts you wish to calculateSWITCH355={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4672178030014038}The switching functions to use for each of the contacts in your mapWEIGHT355=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS356=84,2579the atoms involved in each of the contacts you wish to calculateSWITCH356={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.249820351600647}The switching functions to use for each of the contacts in your mapWEIGHT356=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS357=84,2623the atoms involved in each of the contacts you wish to calculateSWITCH357={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7613797187805176}The switching functions to use for each of the contacts in your mapWEIGHT357=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS358=84,2625the atoms involved in each of the contacts you wish to calculateSWITCH358={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7393909096717834}The switching functions to use for each of the contacts in your mapWEIGHT358=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS359=84,2627the atoms involved in each of the contacts you wish to calculateSWITCH359={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7952523231506348}The switching functions to use for each of the contacts in your mapWEIGHT359=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS360=84,2631the atoms involved in each of the contacts you wish to calculateSWITCH360={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8447737097740173}The switching functions to use for each of the contacts in your mapWEIGHT360=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS361=86,650the atoms involved in each of the contacts you wish to calculateSWITCH361={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8365533351898193}The switching functions to use for each of the contacts in your mapWEIGHT361=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS362=86,652the atoms involved in each of the contacts you wish to calculateSWITCH362={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7566362619400024}The switching functions to use for each of the contacts in your mapWEIGHT362=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS363=86,655the atoms involved in each of the contacts you wish to calculateSWITCH363={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7693386673927307}The switching functions to use for each of the contacts in your mapWEIGHT363=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS364=86,656the atoms involved in each of the contacts you wish to calculateSWITCH364={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7203338742256165}The switching functions to use for each of the contacts in your mapWEIGHT364=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS365=86,658the atoms involved in each of the contacts you wish to calculateSWITCH365={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7620297074317932}The switching functions to use for each of the contacts in your mapWEIGHT365=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS366=86,660the atoms involved in each of the contacts you wish to calculateSWITCH366={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8583394289016724}The switching functions to use for each of the contacts in your mapWEIGHT366=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS367=86,661the atoms involved in each of the contacts you wish to calculateSWITCH367={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9409445524215698}The switching functions to use for each of the contacts in your mapWEIGHT367=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS368=86,663the atoms involved in each of the contacts you wish to calculateSWITCH368={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9087017178535461}The switching functions to use for each of the contacts in your mapWEIGHT368=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS369=86,665the atoms involved in each of the contacts you wish to calculateSWITCH369={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8619062304496765}The switching functions to use for each of the contacts in your mapWEIGHT369=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS370=86,697the atoms involved in each of the contacts you wish to calculateSWITCH370={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1775916814804077}The switching functions to use for each of the contacts in your mapWEIGHT370=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS371=86,699the atoms involved in each of the contacts you wish to calculateSWITCH371={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0381981134414673}The switching functions to use for each of the contacts in your mapWEIGHT371=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS372=86,701the atoms involved in each of the contacts you wish to calculateSWITCH372={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0576645135879517}The switching functions to use for each of the contacts in your mapWEIGHT372=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS373=86,705the atoms involved in each of the contacts you wish to calculateSWITCH373={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9776394963264465}The switching functions to use for each of the contacts in your mapWEIGHT373=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS374=86,2479the atoms involved in each of the contacts you wish to calculateSWITCH374={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.4355106353759766}The switching functions to use for each of the contacts in your mapWEIGHT374=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS375=86,2481the atoms involved in each of the contacts you wish to calculateSWITCH375={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2997370958328247}The switching functions to use for each of the contacts in your mapWEIGHT375=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS376=86,2484the atoms involved in each of the contacts you wish to calculateSWITCH376={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.206023931503296}The switching functions to use for each of the contacts in your mapWEIGHT376=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS377=86,2485the atoms involved in each of the contacts you wish to calculateSWITCH377={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1779578924179077}The switching functions to use for each of the contacts in your mapWEIGHT377=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS378=86,2487the atoms involved in each of the contacts you wish to calculateSWITCH378={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0994032621383667}The switching functions to use for each of the contacts in your mapWEIGHT378=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS379=86,2489the atoms involved in each of the contacts you wish to calculateSWITCH379={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.056915521621704}The switching functions to use for each of the contacts in your mapWEIGHT379=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS380=86,2491the atoms involved in each of the contacts you wish to calculateSWITCH380={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1004751920700073}The switching functions to use for each of the contacts in your mapWEIGHT380=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS381=86,2493the atoms involved in each of the contacts you wish to calculateSWITCH381={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1706470251083374}The switching functions to use for each of the contacts in your mapWEIGHT381=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS382=86,2568the atoms involved in each of the contacts you wish to calculateSWITCH382={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.195850133895874}The switching functions to use for each of the contacts in your mapWEIGHT382=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS383=86,2570the atoms involved in each of the contacts you wish to calculateSWITCH383={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2747060060501099}The switching functions to use for each of the contacts in your mapWEIGHT383=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS384=86,2573the atoms involved in each of the contacts you wish to calculateSWITCH384={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2885677814483643}The switching functions to use for each of the contacts in your mapWEIGHT384=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS385=86,2575the atoms involved in each of the contacts you wish to calculateSWITCH385={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.401716947555542}The switching functions to use for each of the contacts in your mapWEIGHT385=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS386=86,2579the atoms involved in each of the contacts you wish to calculateSWITCH386={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1668167114257812}The switching functions to use for each of the contacts in your mapWEIGHT386=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS387=86,2623the atoms involved in each of the contacts you wish to calculateSWITCH387={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7169845700263977}The switching functions to use for each of the contacts in your mapWEIGHT387=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS388=86,2625the atoms involved in each of the contacts you wish to calculateSWITCH388={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6834959983825684}The switching functions to use for each of the contacts in your mapWEIGHT388=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS389=86,2627the atoms involved in each of the contacts you wish to calculateSWITCH389={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.692775547504425}The switching functions to use for each of the contacts in your mapWEIGHT389=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS390=86,2631the atoms involved in each of the contacts you wish to calculateSWITCH390={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8089070916175842}The switching functions to use for each of the contacts in your mapWEIGHT390=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS391=88,650the atoms involved in each of the contacts you wish to calculateSWITCH391={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8834666013717651}The switching functions to use for each of the contacts in your mapWEIGHT391=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS392=88,652the atoms involved in each of the contacts you wish to calculateSWITCH392={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8192144632339478}The switching functions to use for each of the contacts in your mapWEIGHT392=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS393=88,655the atoms involved in each of the contacts you wish to calculateSWITCH393={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8241855502128601}The switching functions to use for each of the contacts in your mapWEIGHT393=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS394=88,656the atoms involved in each of the contacts you wish to calculateSWITCH394={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7545161843299866}The switching functions to use for each of the contacts in your mapWEIGHT394=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS395=88,658the atoms involved in each of the contacts you wish to calculateSWITCH395={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7885397672653198}The switching functions to use for each of the contacts in your mapWEIGHT395=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS396=88,660the atoms involved in each of the contacts you wish to calculateSWITCH396={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8964353203773499}The switching functions to use for each of the contacts in your mapWEIGHT396=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS397=88,661the atoms involved in each of the contacts you wish to calculateSWITCH397={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9711530804634094}The switching functions to use for each of the contacts in your mapWEIGHT397=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS398=88,663the atoms involved in each of the contacts you wish to calculateSWITCH398={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9638135433197021}The switching functions to use for each of the contacts in your mapWEIGHT398=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS399=88,665the atoms involved in each of the contacts you wish to calculateSWITCH399={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9252039194107056}The switching functions to use for each of the contacts in your mapWEIGHT399=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS400=88,697the atoms involved in each of the contacts you wish to calculateSWITCH400={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1728414297103882}The switching functions to use for each of the contacts in your mapWEIGHT400=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS401=88,699the atoms involved in each of the contacts you wish to calculateSWITCH401={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0273336172103882}The switching functions to use for each of the contacts in your mapWEIGHT401=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS402=88,701the atoms involved in each of the contacts you wish to calculateSWITCH402={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.028367280960083}The switching functions to use for each of the contacts in your mapWEIGHT402=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS403=88,705the atoms involved in each of the contacts you wish to calculateSWITCH403={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9657133221626282}The switching functions to use for each of the contacts in your mapWEIGHT403=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS404=88,2479the atoms involved in each of the contacts you wish to calculateSWITCH404={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3285678625106812}The switching functions to use for each of the contacts in your mapWEIGHT404=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS405=88,2481the atoms involved in each of the contacts you wish to calculateSWITCH405={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1980303525924683}The switching functions to use for each of the contacts in your mapWEIGHT405=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS406=88,2484the atoms involved in each of the contacts you wish to calculateSWITCH406={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1020355224609375}The switching functions to use for each of the contacts in your mapWEIGHT406=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS407=88,2485the atoms involved in each of the contacts you wish to calculateSWITCH407={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0834599733352661}The switching functions to use for each of the contacts in your mapWEIGHT407=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS408=88,2487the atoms involved in each of the contacts you wish to calculateSWITCH408={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0049159526824951}The switching functions to use for each of the contacts in your mapWEIGHT408=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS409=88,2489the atoms involved in each of the contacts you wish to calculateSWITCH409={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9513953328132629}The switching functions to use for each of the contacts in your mapWEIGHT409=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS410=88,2491the atoms involved in each of the contacts you wish to calculateSWITCH410={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9850666522979736}The switching functions to use for each of the contacts in your mapWEIGHT410=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS411=88,2493the atoms involved in each of the contacts you wish to calculateSWITCH411={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0564709901809692}The switching functions to use for each of the contacts in your mapWEIGHT411=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS412=88,2568the atoms involved in each of the contacts you wish to calculateSWITCH412={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1140645742416382}The switching functions to use for each of the contacts in your mapWEIGHT412=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS413=88,2570the atoms involved in each of the contacts you wish to calculateSWITCH413={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2003374099731445}The switching functions to use for each of the contacts in your mapWEIGHT413=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS414=88,2573the atoms involved in each of the contacts you wish to calculateSWITCH414={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.210228681564331}The switching functions to use for each of the contacts in your mapWEIGHT414=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS415=88,2575the atoms involved in each of the contacts you wish to calculateSWITCH415={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.3307602405548096}The switching functions to use for each of the contacts in your mapWEIGHT415=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS416=88,2579the atoms involved in each of the contacts you wish to calculateSWITCH416={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.090667486190796}The switching functions to use for each of the contacts in your mapWEIGHT416=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS417=88,2623the atoms involved in each of the contacts you wish to calculateSWITCH417={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6527144312858582}The switching functions to use for each of the contacts in your mapWEIGHT417=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS418=88,2625the atoms involved in each of the contacts you wish to calculateSWITCH418={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6190008521080017}The switching functions to use for each of the contacts in your mapWEIGHT418=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS419=88,2627the atoms involved in each of the contacts you wish to calculateSWITCH419={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6037590503692627}The switching functions to use for each of the contacts in your mapWEIGHT419=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS420=88,2631the atoms involved in each of the contacts you wish to calculateSWITCH420={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7534478902816772}The switching functions to use for each of the contacts in your mapWEIGHT420=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS421=121,650the atoms involved in each of the contacts you wish to calculateSWITCH421={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8827762603759766}The switching functions to use for each of the contacts in your mapWEIGHT421=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS422=121,652the atoms involved in each of the contacts you wish to calculateSWITCH422={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9343044757843018}The switching functions to use for each of the contacts in your mapWEIGHT422=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS423=121,655the atoms involved in each of the contacts you wish to calculateSWITCH423={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0006381273269653}The switching functions to use for each of the contacts in your mapWEIGHT423=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS424=121,656the atoms involved in each of the contacts you wish to calculateSWITCH424={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9383794069290161}The switching functions to use for each of the contacts in your mapWEIGHT424=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS425=121,658the atoms involved in each of the contacts you wish to calculateSWITCH425={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0277423858642578}The switching functions to use for each of the contacts in your mapWEIGHT425=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS426=121,660the atoms involved in each of the contacts you wish to calculateSWITCH426={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.16602623462677}The switching functions to use for each of the contacts in your mapWEIGHT426=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS427=121,661the atoms involved in each of the contacts you wish to calculateSWITCH427={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.265393853187561}The switching functions to use for each of the contacts in your mapWEIGHT427=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS428=121,663the atoms involved in each of the contacts you wish to calculateSWITCH428={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2187949419021606}The switching functions to use for each of the contacts in your mapWEIGHT428=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS429=121,665the atoms involved in each of the contacts you wish to calculateSWITCH429={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1403672695159912}The switching functions to use for each of the contacts in your mapWEIGHT429=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS430=121,697the atoms involved in each of the contacts you wish to calculateSWITCH430={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9692772030830383}The switching functions to use for each of the contacts in your mapWEIGHT430=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS431=121,699the atoms involved in each of the contacts you wish to calculateSWITCH431={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8584532141685486}The switching functions to use for each of the contacts in your mapWEIGHT431=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS432=121,701the atoms involved in each of the contacts you wish to calculateSWITCH432={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8589931130409241}The switching functions to use for each of the contacts in your mapWEIGHT432=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS433=121,705the atoms involved in each of the contacts you wish to calculateSWITCH433={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7366448640823364}The switching functions to use for each of the contacts in your mapWEIGHT433=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS434=121,2479the atoms involved in each of the contacts you wish to calculateSWITCH434={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9146985411643982}The switching functions to use for each of the contacts in your mapWEIGHT434=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS435=121,2481the atoms involved in each of the contacts you wish to calculateSWITCH435={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7927442789077759}The switching functions to use for each of the contacts in your mapWEIGHT435=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS436=121,2484the atoms involved in each of the contacts you wish to calculateSWITCH436={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6605428457260132}The switching functions to use for each of the contacts in your mapWEIGHT436=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS437=121,2485the atoms involved in each of the contacts you wish to calculateSWITCH437={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5731696486473083}The switching functions to use for each of the contacts in your mapWEIGHT437=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS438=121,2487the atoms involved in each of the contacts you wish to calculateSWITCH438={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4545432925224304}The switching functions to use for each of the contacts in your mapWEIGHT438=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS439=121,2489the atoms involved in each of the contacts you wish to calculateSWITCH439={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4435187876224518}The switching functions to use for each of the contacts in your mapWEIGHT439=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS440=121,2491the atoms involved in each of the contacts you wish to calculateSWITCH440={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5580437183380127}The switching functions to use for each of the contacts in your mapWEIGHT440=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS441=121,2493the atoms involved in each of the contacts you wish to calculateSWITCH441={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6567596197128296}The switching functions to use for each of the contacts in your mapWEIGHT441=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS442=121,2568the atoms involved in each of the contacts you wish to calculateSWITCH442={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0248717069625854}The switching functions to use for each of the contacts in your mapWEIGHT442=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS443=121,2570the atoms involved in each of the contacts you wish to calculateSWITCH443={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0448377132415771}The switching functions to use for each of the contacts in your mapWEIGHT443=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS444=121,2573the atoms involved in each of the contacts you wish to calculateSWITCH444={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9681641459465027}The switching functions to use for each of the contacts in your mapWEIGHT444=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS445=121,2575the atoms involved in each of the contacts you wish to calculateSWITCH445={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0463056564331055}The switching functions to use for each of the contacts in your mapWEIGHT445=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS446=121,2579the atoms involved in each of the contacts you wish to calculateSWITCH446={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8201524019241333}The switching functions to use for each of the contacts in your mapWEIGHT446=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS447=121,2623the atoms involved in each of the contacts you wish to calculateSWITCH447={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9225538969039917}The switching functions to use for each of the contacts in your mapWEIGHT447=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS448=121,2625the atoms involved in each of the contacts you wish to calculateSWITCH448={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.793582558631897}The switching functions to use for each of the contacts in your mapWEIGHT448=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS449=121,2627the atoms involved in each of the contacts you wish to calculateSWITCH449={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6958119869232178}The switching functions to use for each of the contacts in your mapWEIGHT449=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS450=121,2631the atoms involved in each of the contacts you wish to calculateSWITCH450={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8384278416633606}The switching functions to use for each of the contacts in your mapWEIGHT450=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS451=123,650the atoms involved in each of the contacts you wish to calculateSWITCH451={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.782192051410675}The switching functions to use for each of the contacts in your mapWEIGHT451=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS452=123,652the atoms involved in each of the contacts you wish to calculateSWITCH452={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8390645980834961}The switching functions to use for each of the contacts in your mapWEIGHT452=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS453=123,655the atoms involved in each of the contacts you wish to calculateSWITCH453={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8928253650665283}The switching functions to use for each of the contacts in your mapWEIGHT453=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS454=123,656the atoms involved in each of the contacts you wish to calculateSWITCH454={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8208436369895935}The switching functions to use for each of the contacts in your mapWEIGHT454=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS455=123,658the atoms involved in each of the contacts you wish to calculateSWITCH455={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9050639271736145}The switching functions to use for each of the contacts in your mapWEIGHT455=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS456=123,660the atoms involved in each of the contacts you wish to calculateSWITCH456={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0446804761886597}The switching functions to use for each of the contacts in your mapWEIGHT456=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS457=123,661the atoms involved in each of the contacts you wish to calculateSWITCH457={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1398578882217407}The switching functions to use for each of the contacts in your mapWEIGHT457=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS458=123,663the atoms involved in each of the contacts you wish to calculateSWITCH458={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1034516096115112}The switching functions to use for each of the contacts in your mapWEIGHT458=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS459=123,665the atoms involved in each of the contacts you wish to calculateSWITCH459={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0323359966278076}The switching functions to use for each of the contacts in your mapWEIGHT459=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS460=123,697the atoms involved in each of the contacts you wish to calculateSWITCH460={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8365718722343445}The switching functions to use for each of the contacts in your mapWEIGHT460=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS461=123,699the atoms involved in each of the contacts you wish to calculateSWITCH461={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7195373773574829}The switching functions to use for each of the contacts in your mapWEIGHT461=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS462=123,701the atoms involved in each of the contacts you wish to calculateSWITCH462={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7113716006278992}The switching functions to use for each of the contacts in your mapWEIGHT462=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS463=123,705the atoms involved in each of the contacts you wish to calculateSWITCH463={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6048388481140137}The switching functions to use for each of the contacts in your mapWEIGHT463=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS464=123,2479the atoms involved in each of the contacts you wish to calculateSWITCH464={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8371200561523438}The switching functions to use for each of the contacts in your mapWEIGHT464=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS465=123,2481the atoms involved in each of the contacts you wish to calculateSWITCH465={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7023702263832092}The switching functions to use for each of the contacts in your mapWEIGHT465=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS466=123,2484the atoms involved in each of the contacts you wish to calculateSWITCH466={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5859228372573853}The switching functions to use for each of the contacts in your mapWEIGHT466=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS467=123,2485the atoms involved in each of the contacts you wish to calculateSWITCH467={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5053396224975586}The switching functions to use for each of the contacts in your mapWEIGHT467=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS468=123,2487the atoms involved in each of the contacts you wish to calculateSWITCH468={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.412972629070282}The switching functions to use for each of the contacts in your mapWEIGHT468=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS469=123,2489the atoms involved in each of the contacts you wish to calculateSWITCH469={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42444077134132385}The switching functions to use for each of the contacts in your mapWEIGHT469=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS470=123,2491the atoms involved in each of the contacts you wish to calculateSWITCH470={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5252939462661743}The switching functions to use for each of the contacts in your mapWEIGHT470=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS471=123,2493the atoms involved in each of the contacts you wish to calculateSWITCH471={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5974696278572083}The switching functions to use for each of the contacts in your mapWEIGHT471=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS472=123,2568the atoms involved in each of the contacts you wish to calculateSWITCH472={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8846786618232727}The switching functions to use for each of the contacts in your mapWEIGHT472=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS473=123,2570the atoms involved in each of the contacts you wish to calculateSWITCH473={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.901812732219696}The switching functions to use for each of the contacts in your mapWEIGHT473=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS474=123,2573the atoms involved in each of the contacts you wish to calculateSWITCH474={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.831169068813324}The switching functions to use for each of the contacts in your mapWEIGHT474=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS475=123,2575the atoms involved in each of the contacts you wish to calculateSWITCH475={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9112550616264343}The switching functions to use for each of the contacts in your mapWEIGHT475=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS476=123,2579the atoms involved in each of the contacts you wish to calculateSWITCH476={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6815426349639893}The switching functions to use for each of the contacts in your mapWEIGHT476=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS477=123,2623the atoms involved in each of the contacts you wish to calculateSWITCH477={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.80299311876297}The switching functions to use for each of the contacts in your mapWEIGHT477=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS478=123,2625the atoms involved in each of the contacts you wish to calculateSWITCH478={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6660282611846924}The switching functions to use for each of the contacts in your mapWEIGHT478=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS479=123,2627the atoms involved in each of the contacts you wish to calculateSWITCH479={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5731010437011719}The switching functions to use for each of the contacts in your mapWEIGHT479=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS480=123,2631the atoms involved in each of the contacts you wish to calculateSWITCH480={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6970607042312622}The switching functions to use for each of the contacts in your mapWEIGHT480=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS481=126,650the atoms involved in each of the contacts you wish to calculateSWITCH481={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6740875840187073}The switching functions to use for each of the contacts in your mapWEIGHT481=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS482=126,652the atoms involved in each of the contacts you wish to calculateSWITCH482={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7519687414169312}The switching functions to use for each of the contacts in your mapWEIGHT482=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS483=126,655the atoms involved in each of the contacts you wish to calculateSWITCH483={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8164317011833191}The switching functions to use for each of the contacts in your mapWEIGHT483=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS484=126,656the atoms involved in each of the contacts you wish to calculateSWITCH484={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7569541931152344}The switching functions to use for each of the contacts in your mapWEIGHT484=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS485=126,658the atoms involved in each of the contacts you wish to calculateSWITCH485={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8534671664237976}The switching functions to use for each of the contacts in your mapWEIGHT485=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS486=126,660the atoms involved in each of the contacts you wish to calculateSWITCH486={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9890342950820923}The switching functions to use for each of the contacts in your mapWEIGHT486=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS487=126,661the atoms involved in each of the contacts you wish to calculateSWITCH487={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0908738374710083}The switching functions to use for each of the contacts in your mapWEIGHT487=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS488=126,663the atoms involved in each of the contacts you wish to calculateSWITCH488={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.035347819328308}The switching functions to use for each of the contacts in your mapWEIGHT488=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS489=126,665the atoms involved in each of the contacts you wish to calculateSWITCH489={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9556471109390259}The switching functions to use for each of the contacts in your mapWEIGHT489=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS490=126,697the atoms involved in each of the contacts you wish to calculateSWITCH490={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7073206305503845}The switching functions to use for each of the contacts in your mapWEIGHT490=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS491=126,699the atoms involved in each of the contacts you wish to calculateSWITCH491={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6023502349853516}The switching functions to use for each of the contacts in your mapWEIGHT491=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS492=126,701the atoms involved in each of the contacts you wish to calculateSWITCH492={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6144015789031982}The switching functions to use for each of the contacts in your mapWEIGHT492=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS493=126,705the atoms involved in each of the contacts you wish to calculateSWITCH493={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4765685796737671}The switching functions to use for each of the contacts in your mapWEIGHT493=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS494=126,2479the atoms involved in each of the contacts you wish to calculateSWITCH494={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8602309823036194}The switching functions to use for each of the contacts in your mapWEIGHT494=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS495=126,2481the atoms involved in each of the contacts you wish to calculateSWITCH495={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7190793752670288}The switching functions to use for each of the contacts in your mapWEIGHT495=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS496=126,2484the atoms involved in each of the contacts you wish to calculateSWITCH496={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6224794983863831}The switching functions to use for each of the contacts in your mapWEIGHT496=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS497=126,2485the atoms involved in each of the contacts you wish to calculateSWITCH497={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5263640284538269}The switching functions to use for each of the contacts in your mapWEIGHT497=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS498=126,2487the atoms involved in each of the contacts you wish to calculateSWITCH498={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4592922031879425}The switching functions to use for each of the contacts in your mapWEIGHT498=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS499=126,2489the atoms involved in each of the contacts you wish to calculateSWITCH499={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5120242238044739}The switching functions to use for each of the contacts in your mapWEIGHT499=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS500=126,2491the atoms involved in each of the contacts you wish to calculateSWITCH500={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6165585517883301}The switching functions to use for each of the contacts in your mapWEIGHT500=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS501=126,2493the atoms involved in each of the contacts you wish to calculateSWITCH501={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6655890941619873}The switching functions to use for each of the contacts in your mapWEIGHT501=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS502=126,2568the atoms involved in each of the contacts you wish to calculateSWITCH502={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8766857981681824}The switching functions to use for each of the contacts in your mapWEIGHT502=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS503=126,2570the atoms involved in each of the contacts you wish to calculateSWITCH503={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8715468049049377}The switching functions to use for each of the contacts in your mapWEIGHT503=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS504=126,2573the atoms involved in each of the contacts you wish to calculateSWITCH504={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7983568906784058}The switching functions to use for each of the contacts in your mapWEIGHT504=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS505=126,2575the atoms involved in each of the contacts you wish to calculateSWITCH505={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8584542870521545}The switching functions to use for each of the contacts in your mapWEIGHT505=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS506=126,2579the atoms involved in each of the contacts you wish to calculateSWITCH506={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6456329822540283}The switching functions to use for each of the contacts in your mapWEIGHT506=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS507=126,2623the atoms involved in each of the contacts you wish to calculateSWITCH507={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8304246664047241}The switching functions to use for each of the contacts in your mapWEIGHT507=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS508=126,2625the atoms involved in each of the contacts you wish to calculateSWITCH508={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6830145120620728}The switching functions to use for each of the contacts in your mapWEIGHT508=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS509=126,2627the atoms involved in each of the contacts you wish to calculateSWITCH509={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6144118905067444}The switching functions to use for each of the contacts in your mapWEIGHT509=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS510=126,2631the atoms involved in each of the contacts you wish to calculateSWITCH510={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.68622225522995}The switching functions to use for each of the contacts in your mapWEIGHT510=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS511=128,650the atoms involved in each of the contacts you wish to calculateSWITCH511={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7581477761268616}The switching functions to use for each of the contacts in your mapWEIGHT511=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS512=128,652the atoms involved in each of the contacts you wish to calculateSWITCH512={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8554502725601196}The switching functions to use for each of the contacts in your mapWEIGHT512=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS513=128,655the atoms involved in each of the contacts you wish to calculateSWITCH513={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9271165132522583}The switching functions to use for each of the contacts in your mapWEIGHT513=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS514=128,656the atoms involved in each of the contacts you wish to calculateSWITCH514={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.874717116355896}The switching functions to use for each of the contacts in your mapWEIGHT514=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS515=128,658the atoms involved in each of the contacts you wish to calculateSWITCH515={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9736707210540771}The switching functions to use for each of the contacts in your mapWEIGHT515=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS516=128,660the atoms involved in each of the contacts you wish to calculateSWITCH516={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1059868335723877}The switching functions to use for each of the contacts in your mapWEIGHT516=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS517=128,661the atoms involved in each of the contacts you wish to calculateSWITCH517={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.2072521448135376}The switching functions to use for each of the contacts in your mapWEIGHT517=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS518=128,663the atoms involved in each of the contacts you wish to calculateSWITCH518={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.146892786026001}The switching functions to use for each of the contacts in your mapWEIGHT518=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS519=128,665the atoms involved in each of the contacts you wish to calculateSWITCH519={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0638916492462158}The switching functions to use for each of the contacts in your mapWEIGHT519=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS520=128,697the atoms involved in each of the contacts you wish to calculateSWITCH520={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7220583558082581}The switching functions to use for each of the contacts in your mapWEIGHT520=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS521=128,699the atoms involved in each of the contacts you wish to calculateSWITCH521={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6422755718231201}The switching functions to use for each of the contacts in your mapWEIGHT521=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS522=128,701the atoms involved in each of the contacts you wish to calculateSWITCH522={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6543450951576233}The switching functions to use for each of the contacts in your mapWEIGHT522=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS523=128,705the atoms involved in each of the contacts you wish to calculateSWITCH523={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5121579766273499}The switching functions to use for each of the contacts in your mapWEIGHT523=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS524=128,2479the atoms involved in each of the contacts you wish to calculateSWITCH524={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8159598708152771}The switching functions to use for each of the contacts in your mapWEIGHT524=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS525=128,2481the atoms involved in each of the contacts you wish to calculateSWITCH525={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6848256587982178}The switching functions to use for each of the contacts in your mapWEIGHT525=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS526=128,2484the atoms involved in each of the contacts you wish to calculateSWITCH526={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5893114805221558}The switching functions to use for each of the contacts in your mapWEIGHT526=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS527=128,2485the atoms involved in each of the contacts you wish to calculateSWITCH527={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47012579441070557}The switching functions to use for each of the contacts in your mapWEIGHT527=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS528=128,2487the atoms involved in each of the contacts you wish to calculateSWITCH528={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40698471665382385}The switching functions to use for each of the contacts in your mapWEIGHT528=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS529=128,2489the atoms involved in each of the contacts you wish to calculateSWITCH529={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49016961455345154}The switching functions to use for each of the contacts in your mapWEIGHT529=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS530=128,2491the atoms involved in each of the contacts you wish to calculateSWITCH530={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6084128022193909}The switching functions to use for each of the contacts in your mapWEIGHT530=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS531=128,2493the atoms involved in each of the contacts you wish to calculateSWITCH531={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.652619481086731}The switching functions to use for each of the contacts in your mapWEIGHT531=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS532=128,2568the atoms involved in each of the contacts you wish to calculateSWITCH532={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.923822820186615}The switching functions to use for each of the contacts in your mapWEIGHT532=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS533=128,2570the atoms involved in each of the contacts you wish to calculateSWITCH533={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8984354734420776}The switching functions to use for each of the contacts in your mapWEIGHT533=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS534=128,2573the atoms involved in each of the contacts you wish to calculateSWITCH534={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.80366051197052}The switching functions to use for each of the contacts in your mapWEIGHT534=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS535=128,2575the atoms involved in each of the contacts you wish to calculateSWITCH535={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8427123427391052}The switching functions to use for each of the contacts in your mapWEIGHT535=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS536=128,2579the atoms involved in each of the contacts you wish to calculateSWITCH536={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6545048356056213}The switching functions to use for each of the contacts in your mapWEIGHT536=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS537=128,2623the atoms involved in each of the contacts you wish to calculateSWITCH537={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9563765525817871}The switching functions to use for each of the contacts in your mapWEIGHT537=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS538=128,2625the atoms involved in each of the contacts you wish to calculateSWITCH538={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8069111704826355}The switching functions to use for each of the contacts in your mapWEIGHT538=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS539=128,2627the atoms involved in each of the contacts you wish to calculateSWITCH539={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7319132089614868}The switching functions to use for each of the contacts in your mapWEIGHT539=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS540=128,2631the atoms involved in each of the contacts you wish to calculateSWITCH540={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7927771806716919}The switching functions to use for each of the contacts in your mapWEIGHT540=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS541=132,650the atoms involved in each of the contacts you wish to calculateSWITCH541={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6248541474342346}The switching functions to use for each of the contacts in your mapWEIGHT541=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS542=132,652the atoms involved in each of the contacts you wish to calculateSWITCH542={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7054826617240906}The switching functions to use for each of the contacts in your mapWEIGHT542=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS543=132,655the atoms involved in each of the contacts you wish to calculateSWITCH543={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7470299005508423}The switching functions to use for each of the contacts in your mapWEIGHT543=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS544=132,656the atoms involved in each of the contacts you wish to calculateSWITCH544={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6720048189163208}The switching functions to use for each of the contacts in your mapWEIGHT544=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS545=132,658the atoms involved in each of the contacts you wish to calculateSWITCH545={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7558314800262451}The switching functions to use for each of the contacts in your mapWEIGHT545=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS546=132,660the atoms involved in each of the contacts you wish to calculateSWITCH546={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8915748596191406}The switching functions to use for each of the contacts in your mapWEIGHT546=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS547=132,661the atoms involved in each of the contacts you wish to calculateSWITCH547={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9842422008514404}The switching functions to use for each of the contacts in your mapWEIGHT547=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS548=132,663the atoms involved in each of the contacts you wish to calculateSWITCH548={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9485070705413818}The switching functions to use for each of the contacts in your mapWEIGHT548=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS549=132,665the atoms involved in each of the contacts you wish to calculateSWITCH549={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8826574087142944}The switching functions to use for each of the contacts in your mapWEIGHT549=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS550=132,697the atoms involved in each of the contacts you wish to calculateSWITCH550={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5988277792930603}The switching functions to use for each of the contacts in your mapWEIGHT550=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS551=132,699the atoms involved in each of the contacts you wish to calculateSWITCH551={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48210594058036804}The switching functions to use for each of the contacts in your mapWEIGHT551=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS552=132,701the atoms involved in each of the contacts you wish to calculateSWITCH552={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47332215309143066}The switching functions to use for each of the contacts in your mapWEIGHT552=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS553=132,705the atoms involved in each of the contacts you wish to calculateSWITCH553={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3725535571575165}The switching functions to use for each of the contacts in your mapWEIGHT553=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS554=132,2479the atoms involved in each of the contacts you wish to calculateSWITCH554={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7940719723701477}The switching functions to use for each of the contacts in your mapWEIGHT554=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS555=132,2481the atoms involved in each of the contacts you wish to calculateSWITCH555={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6449107527732849}The switching functions to use for each of the contacts in your mapWEIGHT555=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS556=132,2484the atoms involved in each of the contacts you wish to calculateSWITCH556={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5732763409614563}The switching functions to use for each of the contacts in your mapWEIGHT556=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS557=132,2485the atoms involved in each of the contacts you wish to calculateSWITCH557={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4970130920410156}The switching functions to use for each of the contacts in your mapWEIGHT557=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS558=132,2487the atoms involved in each of the contacts you wish to calculateSWITCH558={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4672197699546814}The switching functions to use for each of the contacts in your mapWEIGHT558=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS559=132,2489the atoms involved in each of the contacts you wish to calculateSWITCH559={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294206142425537}The switching functions to use for each of the contacts in your mapWEIGHT559=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS560=132,2491the atoms involved in each of the contacts you wish to calculateSWITCH560={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6085144281387329}The switching functions to use for each of the contacts in your mapWEIGHT560=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS561=132,2493the atoms involved in each of the contacts you wish to calculateSWITCH561={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6275779008865356}The switching functions to use for each of the contacts in your mapWEIGHT561=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS562=132,2568the atoms involved in each of the contacts you wish to calculateSWITCH562={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7343629598617554}The switching functions to use for each of the contacts in your mapWEIGHT562=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS563=132,2570the atoms involved in each of the contacts you wish to calculateSWITCH563={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7264589071273804}The switching functions to use for each of the contacts in your mapWEIGHT563=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS564=132,2573the atoms involved in each of the contacts you wish to calculateSWITCH564={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6623233556747437}The switching functions to use for each of the contacts in your mapWEIGHT564=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS565=132,2575the atoms involved in each of the contacts you wish to calculateSWITCH565={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.726473867893219}The switching functions to use for each of the contacts in your mapWEIGHT565=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS566=132,2579the atoms involved in each of the contacts you wish to calculateSWITCH566={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.510424017906189}The switching functions to use for each of the contacts in your mapWEIGHT566=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS567=132,2623the atoms involved in each of the contacts you wish to calculateSWITCH567={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7237225770950317}The switching functions to use for each of the contacts in your mapWEIGHT567=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS568=132,2625the atoms involved in each of the contacts you wish to calculateSWITCH568={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5722167491912842}The switching functions to use for each of the contacts in your mapWEIGHT568=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS569=132,2627the atoms involved in each of the contacts you wish to calculateSWITCH569={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5123468041419983}The switching functions to use for each of the contacts in your mapWEIGHT569=0.0017543859649122807A weight value for a given contact, by default is 1ATOMS570=132,2631the atoms involved in each of the contacts you wish to calculateSWITCH570={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5535756945610046}The switching functions to use for each of the contacts in your mapWEIGHT570=0.0017543859649122807A weight value for a given contact, by default is 1LABEL=qtyraa label for the action so that its output can be referenced in the input to other actionsSUMcalculate the sum of all the contacts in the inputNOPBC... CONTACTMAPignore the periodic boundary conditions when calculating distancesCONTACTMAP...Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More detailsATOMS1=73,584the atoms involved in each of the contacts you wish to calculateSWITCH1={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0104904174804688}The switching functions to use for each of the contacts in your mapWEIGHT1=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS2=73,586the atoms involved in each of the contacts you wish to calculateSWITCH2={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9691793918609619}The switching functions to use for each of the contacts in your mapWEIGHT2=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS3=73,588the atoms involved in each of the contacts you wish to calculateSWITCH3={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8419557213783264}The switching functions to use for each of the contacts in your mapWEIGHT3=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS4=73,592the atoms involved in each of the contacts you wish to calculateSWITCH4={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9758177995681763}The switching functions to use for each of the contacts in your mapWEIGHT4=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS5=73,650the atoms involved in each of the contacts you wish to calculateSWITCH5={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9309435486793518}The switching functions to use for each of the contacts in your mapWEIGHT5=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS6=73,652the atoms involved in each of the contacts you wish to calculateSWITCH6={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9082626700401306}The switching functions to use for each of the contacts in your mapWEIGHT6=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS7=73,655the atoms involved in each of the contacts you wish to calculateSWITCH7={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9031504392623901}The switching functions to use for each of the contacts in your mapWEIGHT7=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS8=73,656the atoms involved in each of the contacts you wish to calculateSWITCH8={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.800478458404541}The switching functions to use for each of the contacts in your mapWEIGHT8=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS9=73,658the atoms involved in each of the contacts you wish to calculateSWITCH9={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8262046575546265}The switching functions to use for each of the contacts in your mapWEIGHT9=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS10=73,660the atoms involved in each of the contacts you wish to calculateSWITCH10={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9544553756713867}The switching functions to use for each of the contacts in your mapWEIGHT10=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS11=73,661the atoms involved in each of the contacts you wish to calculateSWITCH11={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0169137716293335}The switching functions to use for each of the contacts in your mapWEIGHT11=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS12=73,663the atoms involved in each of the contacts you wish to calculateSWITCH12={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0473077297210693}The switching functions to use for each of the contacts in your mapWEIGHT12=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS13=73,665the atoms involved in each of the contacts you wish to calculateSWITCH13={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0195348262786865}The switching functions to use for each of the contacts in your mapWEIGHT13=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS14=73,2623the atoms involved in each of the contacts you wish to calculateSWITCH14={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5388705730438232}The switching functions to use for each of the contacts in your mapWEIGHT14=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS15=73,2625the atoms involved in each of the contacts you wish to calculateSWITCH15={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48216524720191956}The switching functions to use for each of the contacts in your mapWEIGHT15=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS16=73,2627the atoms involved in each of the contacts you wish to calculateSWITCH16={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.395525187253952}The switching functions to use for each of the contacts in your mapWEIGHT16=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS17=73,2631the atoms involved in each of the contacts you wish to calculateSWITCH17={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6100140810012817}The switching functions to use for each of the contacts in your mapWEIGHT17=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS18=73,2670the atoms involved in each of the contacts you wish to calculateSWITCH18={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6875495910644531}The switching functions to use for each of the contacts in your mapWEIGHT18=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS19=73,2672the atoms involved in each of the contacts you wish to calculateSWITCH19={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5441213250160217}The switching functions to use for each of the contacts in your mapWEIGHT19=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS20=73,2675the atoms involved in each of the contacts you wish to calculateSWITCH20={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5434494614601135}The switching functions to use for each of the contacts in your mapWEIGHT20=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS21=73,2678the atoms involved in each of the contacts you wish to calculateSWITCH21={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6727513074874878}The switching functions to use for each of the contacts in your mapWEIGHT21=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS22=73,2679the atoms involved in each of the contacts you wish to calculateSWITCH22={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7739260196685791}The switching functions to use for each of the contacts in your mapWEIGHT22=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS23=73,2680the atoms involved in each of the contacts you wish to calculateSWITCH23={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7069159746170044}The switching functions to use for each of the contacts in your mapWEIGHT23=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS24=73,2687the atoms involved in each of the contacts you wish to calculateSWITCH24={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7936853170394897}The switching functions to use for each of the contacts in your mapWEIGHT24=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS25=73,2689the atoms involved in each of the contacts you wish to calculateSWITCH25={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8234379887580872}The switching functions to use for each of the contacts in your mapWEIGHT25=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS26=73,2692the atoms involved in each of the contacts you wish to calculateSWITCH26={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8289691209793091}The switching functions to use for each of the contacts in your mapWEIGHT26=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS27=73,2695the atoms involved in each of the contacts you wish to calculateSWITCH27={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9747817516326904}The switching functions to use for each of the contacts in your mapWEIGHT27=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS28=73,2698the atoms involved in each of the contacts you wish to calculateSWITCH28={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.016952395439148}The switching functions to use for each of the contacts in your mapWEIGHT28=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS29=73,2700the atoms involved in each of the contacts you wish to calculateSWITCH29={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.03352952003479}The switching functions to use for each of the contacts in your mapWEIGHT29=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS30=73,2701the atoms involved in each of the contacts you wish to calculateSWITCH30={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0054712295532227}The switching functions to use for each of the contacts in your mapWEIGHT30=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS31=73,2704the atoms involved in each of the contacts you wish to calculateSWITCH31={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.1031029224395752}The switching functions to use for each of the contacts in your mapWEIGHT31=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS32=75,584the atoms involved in each of the contacts you wish to calculateSWITCH32={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0233336687088013}The switching functions to use for each of the contacts in your mapWEIGHT32=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS33=75,586the atoms involved in each of the contacts you wish to calculateSWITCH33={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.962285578250885}The switching functions to use for each of the contacts in your mapWEIGHT33=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS34=75,588the atoms involved in each of the contacts you wish to calculateSWITCH34={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.824657678604126}The switching functions to use for each of the contacts in your mapWEIGHT34=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS35=75,592the atoms involved in each of the contacts you wish to calculateSWITCH35={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9709404110908508}The switching functions to use for each of the contacts in your mapWEIGHT35=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS36=75,650the atoms involved in each of the contacts you wish to calculateSWITCH36={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9557713270187378}The switching functions to use for each of the contacts in your mapWEIGHT36=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS37=75,652the atoms involved in each of the contacts you wish to calculateSWITCH37={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9094404578208923}The switching functions to use for each of the contacts in your mapWEIGHT37=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS38=75,655the atoms involved in each of the contacts you wish to calculateSWITCH38={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8884962201118469}The switching functions to use for each of the contacts in your mapWEIGHT38=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS39=75,656the atoms involved in each of the contacts you wish to calculateSWITCH39={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7862153649330139}The switching functions to use for each of the contacts in your mapWEIGHT39=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS40=75,658the atoms involved in each of the contacts you wish to calculateSWITCH40={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7945192456245422}The switching functions to use for each of the contacts in your mapWEIGHT40=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS41=75,660the atoms involved in each of the contacts you wish to calculateSWITCH41={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9109082818031311}The switching functions to use for each of the contacts in your mapWEIGHT41=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS42=75,661the atoms involved in each of the contacts you wish to calculateSWITCH42={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9635561108589172}The switching functions to use for each of the contacts in your mapWEIGHT42=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS43=75,663the atoms involved in each of the contacts you wish to calculateSWITCH43={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.0070005655288696}The switching functions to use for each of the contacts in your mapWEIGHT43=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS44=75,665the atoms involved in each of the contacts you wish to calculateSWITCH44={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9915522933006287}The switching functions to use for each of the contacts in your mapWEIGHT44=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS45=75,2623the atoms involved in each of the contacts you wish to calculateSWITCH45={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49890923500061035}The switching functions to use for each of the contacts in your mapWEIGHT45=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS46=75,2625the atoms involved in each of the contacts you wish to calculateSWITCH46={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4806707203388214}The switching functions to use for each of the contacts in your mapWEIGHT46=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS47=75,2627the atoms involved in each of the contacts you wish to calculateSWITCH47={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4315405786037445}The switching functions to use for each of the contacts in your mapWEIGHT47=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS48=75,2631the atoms involved in each of the contacts you wish to calculateSWITCH48={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6263275146484375}The switching functions to use for each of the contacts in your mapWEIGHT48=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS49=75,2670the atoms involved in each of the contacts you wish to calculateSWITCH49={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5442600250244141}The switching functions to use for each of the contacts in your mapWEIGHT49=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS50=75,2672the atoms involved in each of the contacts you wish to calculateSWITCH50={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3985207974910736}The switching functions to use for each of the contacts in your mapWEIGHT50=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS51=75,2675the atoms involved in each of the contacts you wish to calculateSWITCH51={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41199761629104614}The switching functions to use for each of the contacts in your mapWEIGHT51=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS52=75,2678the atoms involved in each of the contacts you wish to calculateSWITCH52={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5404636859893799}The switching functions to use for each of the contacts in your mapWEIGHT52=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS53=75,2679the atoms involved in each of the contacts you wish to calculateSWITCH53={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6467627882957458}The switching functions to use for each of the contacts in your mapWEIGHT53=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS54=75,2680the atoms involved in each of the contacts you wish to calculateSWITCH54={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5697199702262878}The switching functions to use for each of the contacts in your mapWEIGHT54=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS55=75,2687the atoms involved in each of the contacts you wish to calculateSWITCH55={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6806606650352478}The switching functions to use for each of the contacts in your mapWEIGHT55=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS56=75,2689the atoms involved in each of the contacts you wish to calculateSWITCH56={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7315550446510315}The switching functions to use for each of the contacts in your mapWEIGHT56=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS57=75,2692the atoms involved in each of the contacts you wish to calculateSWITCH57={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7523897886276245}The switching functions to use for each of the contacts in your mapWEIGHT57=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS58=75,2695the atoms involved in each of the contacts you wish to calculateSWITCH58={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8971298933029175}The switching functions to use for each of the contacts in your mapWEIGHT58=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS59=75,2698the atoms involved in each of the contacts you wish to calculateSWITCH59={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.949770987033844}The switching functions to use for each of the contacts in your mapWEIGHT59=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS60=75,2700the atoms involved in each of the contacts you wish to calculateSWITCH60={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9614227414131165}The switching functions to use for each of the contacts in your mapWEIGHT60=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS61=75,2701the atoms involved in each of the contacts you wish to calculateSWITCH61={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9177216291427612}The switching functions to use for each of the contacts in your mapWEIGHT61=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS62=75,2704the atoms involved in each of the contacts you wish to calculateSWITCH62={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=1.042278528213501}The switching functions to use for each of the contacts in your mapWEIGHT62=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS63=78,584the atoms involved in each of the contacts you wish to calculateSWITCH63={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8953778743743896}The switching functions to use for each of the contacts in your mapWEIGHT63=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS64=78,586the atoms involved in each of the contacts you wish to calculateSWITCH64={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.826436460018158}The switching functions to use for each of the contacts in your mapWEIGHT64=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS65=78,588the atoms involved in each of the contacts you wish to calculateSWITCH65={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6846020817756653}The switching functions to use for each of the contacts in your mapWEIGHT65=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS66=78,592the atoms involved in each of the contacts you wish to calculateSWITCH66={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.841319739818573}The switching functions to use for each of the contacts in your mapWEIGHT66=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS67=78,650the atoms involved in each of the contacts you wish to calculateSWITCH67={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8566506505012512}The switching functions to use for each of the contacts in your mapWEIGHT67=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS68=78,652the atoms involved in each of the contacts you wish to calculateSWITCH68={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7954189777374268}The switching functions to use for each of the contacts in your mapWEIGHT68=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS69=78,655the atoms involved in each of the contacts you wish to calculateSWITCH69={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.779197633266449}The switching functions to use for each of the contacts in your mapWEIGHT69=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS70=78,656the atoms involved in each of the contacts you wish to calculateSWITCH70={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6903489828109741}The switching functions to use for each of the contacts in your mapWEIGHT70=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS71=78,658the atoms involved in each of the contacts you wish to calculateSWITCH71={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7073019742965698}The switching functions to use for each of the contacts in your mapWEIGHT71=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS72=78,660the atoms involved in each of the contacts you wish to calculateSWITCH72={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8185909986495972}The switching functions to use for each of the contacts in your mapWEIGHT72=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS73=78,661the atoms involved in each of the contacts you wish to calculateSWITCH73={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8821538686752319}The switching functions to use for each of the contacts in your mapWEIGHT73=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS74=78,663the atoms involved in each of the contacts you wish to calculateSWITCH74={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9021505117416382}The switching functions to use for each of the contacts in your mapWEIGHT74=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS75=78,665the atoms involved in each of the contacts you wish to calculateSWITCH75={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8788227438926697}The switching functions to use for each of the contacts in your mapWEIGHT75=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS76=78,2623the atoms involved in each of the contacts you wish to calculateSWITCH76={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5147303938865662}The switching functions to use for each of the contacts in your mapWEIGHT76=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS77=78,2625the atoms involved in each of the contacts you wish to calculateSWITCH77={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48978909850120544}The switching functions to use for each of the contacts in your mapWEIGHT77=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS78=78,2627the atoms involved in each of the contacts you wish to calculateSWITCH78={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4794395864009857}The switching functions to use for each of the contacts in your mapWEIGHT78=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS79=78,2631the atoms involved in each of the contacts you wish to calculateSWITCH79={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6308432221412659}The switching functions to use for each of the contacts in your mapWEIGHT79=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS80=78,2670the atoms involved in each of the contacts you wish to calculateSWITCH80={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5071703791618347}The switching functions to use for each of the contacts in your mapWEIGHT80=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS81=78,2672the atoms involved in each of the contacts you wish to calculateSWITCH81={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38238435983657837}The switching functions to use for each of the contacts in your mapWEIGHT81=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS82=78,2675the atoms involved in each of the contacts you wish to calculateSWITCH82={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.44780001044273376}The switching functions to use for each of the contacts in your mapWEIGHT82=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS83=78,2678the atoms involved in each of the contacts you wish to calculateSWITCH83={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5822161436080933}The switching functions to use for each of the contacts in your mapWEIGHT83=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS84=78,2679the atoms involved in each of the contacts you wish to calculateSWITCH84={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6853764653205872}The switching functions to use for each of the contacts in your mapWEIGHT84=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS85=78,2680the atoms involved in each of the contacts you wish to calculateSWITCH85={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6104338765144348}The switching functions to use for each of the contacts in your mapWEIGHT85=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS86=78,2687the atoms involved in each of the contacts you wish to calculateSWITCH86={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5681637525558472}The switching functions to use for each of the contacts in your mapWEIGHT86=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS87=78,2689the atoms involved in each of the contacts you wish to calculateSWITCH87={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6173281073570251}The switching functions to use for each of the contacts in your mapWEIGHT87=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS88=78,2692the atoms involved in each of the contacts you wish to calculateSWITCH88={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6211035251617432}The switching functions to use for each of the contacts in your mapWEIGHT88=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS89=78,2695the atoms involved in each of the contacts you wish to calculateSWITCH89={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7613497972488403}The switching functions to use for each of the contacts in your mapWEIGHT89=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS90=78,2698the atoms involved in each of the contacts you wish to calculateSWITCH90={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.80573970079422}The switching functions to use for each of the contacts in your mapWEIGHT90=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS91=78,2700the atoms involved in each of the contacts you wish to calculateSWITCH91={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8127626776695251}The switching functions to use for each of the contacts in your mapWEIGHT91=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS92=78,2701the atoms involved in each of the contacts you wish to calculateSWITCH92={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7709037661552429}The switching functions to use for each of the contacts in your mapWEIGHT92=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS93=78,2704the atoms involved in each of the contacts you wish to calculateSWITCH93={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8918531537055969}The switching functions to use for each of the contacts in your mapWEIGHT93=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS94=79,584the atoms involved in each of the contacts you wish to calculateSWITCH94={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.87324059009552}The switching functions to use for each of the contacts in your mapWEIGHT94=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS95=79,586the atoms involved in each of the contacts you wish to calculateSWITCH95={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8051860928535461}The switching functions to use for each of the contacts in your mapWEIGHT95=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS96=79,588the atoms involved in each of the contacts you wish to calculateSWITCH96={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6557267904281616}The switching functions to use for each of the contacts in your mapWEIGHT96=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS97=79,592the atoms involved in each of the contacts you wish to calculateSWITCH97={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8417174816131592}The switching functions to use for each of the contacts in your mapWEIGHT97=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS98=79,650the atoms involved in each of the contacts you wish to calculateSWITCH98={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7754189372062683}The switching functions to use for each of the contacts in your mapWEIGHT98=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS99=79,652the atoms involved in each of the contacts you wish to calculateSWITCH99={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7017617225646973}The switching functions to use for each of the contacts in your mapWEIGHT99=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS100=79,655the atoms involved in each of the contacts you wish to calculateSWITCH100={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6671515703201294}The switching functions to use for each of the contacts in your mapWEIGHT100=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS101=79,656the atoms involved in each of the contacts you wish to calculateSWITCH101={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5750181674957275}The switching functions to use for each of the contacts in your mapWEIGHT101=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS102=79,658the atoms involved in each of the contacts you wish to calculateSWITCH102={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5793154835700989}The switching functions to use for each of the contacts in your mapWEIGHT102=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS103=79,660the atoms involved in each of the contacts you wish to calculateSWITCH103={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.684518575668335}The switching functions to use for each of the contacts in your mapWEIGHT103=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS104=79,661the atoms involved in each of the contacts you wish to calculateSWITCH104={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7448719143867493}The switching functions to use for each of the contacts in your mapWEIGHT104=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS105=79,663the atoms involved in each of the contacts you wish to calculateSWITCH105={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.771101713180542}The switching functions to use for each of the contacts in your mapWEIGHT105=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS106=79,665the atoms involved in each of the contacts you wish to calculateSWITCH106={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7575629353523254}The switching functions to use for each of the contacts in your mapWEIGHT106=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS107=79,2623the atoms involved in each of the contacts you wish to calculateSWITCH107={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43549710512161255}The switching functions to use for each of the contacts in your mapWEIGHT107=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS108=79,2625the atoms involved in each of the contacts you wish to calculateSWITCH108={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42063960433006287}The switching functions to use for each of the contacts in your mapWEIGHT108=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS109=79,2627the atoms involved in each of the contacts you wish to calculateSWITCH109={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45383113622665405}The switching functions to use for each of the contacts in your mapWEIGHT109=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS110=79,2631the atoms involved in each of the contacts you wish to calculateSWITCH110={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5564976930618286}The switching functions to use for each of the contacts in your mapWEIGHT110=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS111=79,2670the atoms involved in each of the contacts you wish to calculateSWITCH111={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43737632036209106}The switching functions to use for each of the contacts in your mapWEIGHT111=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS112=79,2672the atoms involved in each of the contacts you wish to calculateSWITCH112={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3410423994064331}The switching functions to use for each of the contacts in your mapWEIGHT112=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS113=79,2675the atoms involved in each of the contacts you wish to calculateSWITCH113={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4256419837474823}The switching functions to use for each of the contacts in your mapWEIGHT113=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS114=79,2678the atoms involved in each of the contacts you wish to calculateSWITCH114={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5683361291885376}The switching functions to use for each of the contacts in your mapWEIGHT114=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS115=79,2679the atoms involved in each of the contacts you wish to calculateSWITCH115={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6552764773368835}The switching functions to use for each of the contacts in your mapWEIGHT115=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS116=79,2680the atoms involved in each of the contacts you wish to calculateSWITCH116={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6172581315040588}The switching functions to use for each of the contacts in your mapWEIGHT116=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS117=79,2687the atoms involved in each of the contacts you wish to calculateSWITCH117={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4459441602230072}The switching functions to use for each of the contacts in your mapWEIGHT117=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS118=79,2689the atoms involved in each of the contacts you wish to calculateSWITCH118={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48267608880996704}The switching functions to use for each of the contacts in your mapWEIGHT118=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS119=79,2692the atoms involved in each of the contacts you wish to calculateSWITCH119={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4962373971939087}The switching functions to use for each of the contacts in your mapWEIGHT119=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS120=79,2695the atoms involved in each of the contacts you wish to calculateSWITCH120={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6417738199234009}The switching functions to use for each of the contacts in your mapWEIGHT120=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS121=79,2698the atoms involved in each of the contacts you wish to calculateSWITCH121={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7006986141204834}The switching functions to use for each of the contacts in your mapWEIGHT121=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS122=79,2700the atoms involved in each of the contacts you wish to calculateSWITCH122={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7232404351234436}The switching functions to use for each of the contacts in your mapWEIGHT122=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS123=79,2701the atoms involved in each of the contacts you wish to calculateSWITCH123={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6868088245391846}The switching functions to use for each of the contacts in your mapWEIGHT123=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS124=79,2704the atoms involved in each of the contacts you wish to calculateSWITCH124={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.814084529876709}The switching functions to use for each of the contacts in your mapWEIGHT124=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS125=81,584the atoms involved in each of the contacts you wish to calculateSWITCH125={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7752840518951416}The switching functions to use for each of the contacts in your mapWEIGHT125=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS126=81,586the atoms involved in each of the contacts you wish to calculateSWITCH126={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6959519386291504}The switching functions to use for each of the contacts in your mapWEIGHT126=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS127=81,588the atoms involved in each of the contacts you wish to calculateSWITCH127={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.54373699426651}The switching functions to use for each of the contacts in your mapWEIGHT127=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS128=81,592the atoms involved in each of the contacts you wish to calculateSWITCH128={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.739473283290863}The switching functions to use for each of the contacts in your mapWEIGHT128=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS129=81,650the atoms involved in each of the contacts you wish to calculateSWITCH129={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7221040725708008}The switching functions to use for each of the contacts in your mapWEIGHT129=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS130=81,652the atoms involved in each of the contacts you wish to calculateSWITCH130={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6284149289131165}The switching functions to use for each of the contacts in your mapWEIGHT130=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS131=81,655the atoms involved in each of the contacts you wish to calculateSWITCH131={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5999292135238647}The switching functions to use for each of the contacts in your mapWEIGHT131=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS132=81,656the atoms involved in each of the contacts you wish to calculateSWITCH132={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5315840244293213}The switching functions to use for each of the contacts in your mapWEIGHT132=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS133=81,658the atoms involved in each of the contacts you wish to calculateSWITCH133={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.545782208442688}The switching functions to use for each of the contacts in your mapWEIGHT133=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS134=81,660the atoms involved in each of the contacts you wish to calculateSWITCH134={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6372515559196472}The switching functions to use for each of the contacts in your mapWEIGHT134=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS135=81,661the atoms involved in each of the contacts you wish to calculateSWITCH135={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.708910346031189}The switching functions to use for each of the contacts in your mapWEIGHT135=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS136=81,663the atoms involved in each of the contacts you wish to calculateSWITCH136={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7040637135505676}The switching functions to use for each of the contacts in your mapWEIGHT136=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS137=81,665the atoms involved in each of the contacts you wish to calculateSWITCH137={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6811647415161133}The switching functions to use for each of the contacts in your mapWEIGHT137=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS138=81,2623the atoms involved in each of the contacts you wish to calculateSWITCH138={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5294727683067322}The switching functions to use for each of the contacts in your mapWEIGHT138=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS139=81,2625the atoms involved in each of the contacts you wish to calculateSWITCH139={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.512668788433075}The switching functions to use for each of the contacts in your mapWEIGHT139=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS140=81,2627the atoms involved in each of the contacts you wish to calculateSWITCH140={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5677062273025513}The switching functions to use for each of the contacts in your mapWEIGHT140=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS141=81,2631the atoms involved in each of the contacts you wish to calculateSWITCH141={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6317002177238464}The switching functions to use for each of the contacts in your mapWEIGHT141=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS142=81,2670the atoms involved in each of the contacts you wish to calculateSWITCH142={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4613306224346161}The switching functions to use for each of the contacts in your mapWEIGHT142=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS143=81,2672the atoms involved in each of the contacts you wish to calculateSWITCH143={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40188300609588623}The switching functions to use for each of the contacts in your mapWEIGHT143=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS144=81,2675the atoms involved in each of the contacts you wish to calculateSWITCH144={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5175354480743408}The switching functions to use for each of the contacts in your mapWEIGHT144=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS145=81,2678the atoms involved in each of the contacts you wish to calculateSWITCH145={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6488434076309204}The switching functions to use for each of the contacts in your mapWEIGHT145=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS146=81,2679the atoms involved in each of the contacts you wish to calculateSWITCH146={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.730585515499115}The switching functions to use for each of the contacts in your mapWEIGHT146=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS147=81,2680the atoms involved in each of the contacts you wish to calculateSWITCH147={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6888392567634583}The switching functions to use for each of the contacts in your mapWEIGHT147=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS148=81,2687the atoms involved in each of the contacts you wish to calculateSWITCH148={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3645520508289337}The switching functions to use for each of the contacts in your mapWEIGHT148=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS149=81,2689the atoms involved in each of the contacts you wish to calculateSWITCH149={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.40052488446235657}The switching functions to use for each of the contacts in your mapWEIGHT149=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS150=81,2692the atoms involved in each of the contacts you wish to calculateSWITCH150={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38619619607925415}The switching functions to use for each of the contacts in your mapWEIGHT150=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS151=81,2695the atoms involved in each of the contacts you wish to calculateSWITCH151={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5229702591896057}The switching functions to use for each of the contacts in your mapWEIGHT151=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS152=81,2698the atoms involved in each of the contacts you wish to calculateSWITCH152={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5706301927566528}The switching functions to use for each of the contacts in your mapWEIGHT152=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS153=81,2700the atoms involved in each of the contacts you wish to calculateSWITCH153={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5851844549179077}The switching functions to use for each of the contacts in your mapWEIGHT153=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS154=81,2701the atoms involved in each of the contacts you wish to calculateSWITCH154={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5488705039024353}The switching functions to use for each of the contacts in your mapWEIGHT154=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS155=81,2704the atoms involved in each of the contacts you wish to calculateSWITCH155={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6755515336990356}The switching functions to use for each of the contacts in your mapWEIGHT155=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS156=83,584the atoms involved in each of the contacts you wish to calculateSWITCH156={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6959714889526367}The switching functions to use for each of the contacts in your mapWEIGHT156=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS157=83,586the atoms involved in each of the contacts you wish to calculateSWITCH157={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6005781888961792}The switching functions to use for each of the contacts in your mapWEIGHT157=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS158=83,588the atoms involved in each of the contacts you wish to calculateSWITCH158={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.452443391084671}The switching functions to use for each of the contacts in your mapWEIGHT158=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS159=83,592the atoms involved in each of the contacts you wish to calculateSWITCH159={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.626295268535614}The switching functions to use for each of the contacts in your mapWEIGHT159=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS160=83,650the atoms involved in each of the contacts you wish to calculateSWITCH160={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7567639350891113}The switching functions to use for each of the contacts in your mapWEIGHT160=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS161=83,652the atoms involved in each of the contacts you wish to calculateSWITCH161={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.660020112991333}The switching functions to use for each of the contacts in your mapWEIGHT161=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS162=83,655the atoms involved in each of the contacts you wish to calculateSWITCH162={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.658077597618103}The switching functions to use for each of the contacts in your mapWEIGHT162=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS163=83,656the atoms involved in each of the contacts you wish to calculateSWITCH163={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6139795184135437}The switching functions to use for each of the contacts in your mapWEIGHT163=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS164=83,658the atoms involved in each of the contacts you wish to calculateSWITCH164={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6478961110115051}The switching functions to use for each of the contacts in your mapWEIGHT164=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS165=83,660the atoms involved in each of the contacts you wish to calculateSWITCH165={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7335739731788635}The switching functions to use for each of the contacts in your mapWEIGHT165=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS166=83,661the atoms involved in each of the contacts you wish to calculateSWITCH166={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8154194355010986}The switching functions to use for each of the contacts in your mapWEIGHT166=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS167=83,663the atoms involved in each of the contacts you wish to calculateSWITCH167={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7802172303199768}The switching functions to use for each of the contacts in your mapWEIGHT167=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS168=83,665the atoms involved in each of the contacts you wish to calculateSWITCH168={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7394839525222778}The switching functions to use for each of the contacts in your mapWEIGHT168=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS169=83,2623the atoms involved in each of the contacts you wish to calculateSWITCH169={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6664283871650696}The switching functions to use for each of the contacts in your mapWEIGHT169=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS170=83,2625the atoms involved in each of the contacts you wish to calculateSWITCH170={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6408188343048096}The switching functions to use for each of the contacts in your mapWEIGHT170=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS171=83,2627the atoms involved in each of the contacts you wish to calculateSWITCH171={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6807906031608582}The switching functions to use for each of the contacts in your mapWEIGHT171=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS172=83,2631the atoms involved in each of the contacts you wish to calculateSWITCH172={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7577747702598572}The switching functions to use for each of the contacts in your mapWEIGHT172=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS173=83,2670the atoms involved in each of the contacts you wish to calculateSWITCH173={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467894673347473}The switching functions to use for each of the contacts in your mapWEIGHT173=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS174=83,2672the atoms involved in each of the contacts you wish to calculateSWITCH174={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4871581196784973}The switching functions to use for each of the contacts in your mapWEIGHT174=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS175=83,2675the atoms involved in each of the contacts you wish to calculateSWITCH175={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6119329929351807}The switching functions to use for each of the contacts in your mapWEIGHT175=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS176=83,2678the atoms involved in each of the contacts you wish to calculateSWITCH176={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7316069602966309}The switching functions to use for each of the contacts in your mapWEIGHT176=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS177=83,2679the atoms involved in each of the contacts you wish to calculateSWITCH177={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8228038549423218}The switching functions to use for each of the contacts in your mapWEIGHT177=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS178=83,2680the atoms involved in each of the contacts you wish to calculateSWITCH178={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7492292523384094}The switching functions to use for each of the contacts in your mapWEIGHT178=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS179=83,2687the atoms involved in each of the contacts you wish to calculateSWITCH179={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43351006507873535}The switching functions to use for each of the contacts in your mapWEIGHT179=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS180=83,2689the atoms involved in each of the contacts you wish to calculateSWITCH180={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4815652370452881}The switching functions to use for each of the contacts in your mapWEIGHT180=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS181=83,2692the atoms involved in each of the contacts you wish to calculateSWITCH181={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.43436673283576965}The switching functions to use for each of the contacts in your mapWEIGHT181=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS182=83,2695the atoms involved in each of the contacts you wish to calculateSWITCH182={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5467674732208252}The switching functions to use for each of the contacts in your mapWEIGHT182=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS183=83,2698the atoms involved in each of the contacts you wish to calculateSWITCH183={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5619409680366516}The switching functions to use for each of the contacts in your mapWEIGHT183=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS184=83,2700the atoms involved in each of the contacts you wish to calculateSWITCH184={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5459465384483337}The switching functions to use for each of the contacts in your mapWEIGHT184=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS185=83,2701the atoms involved in each of the contacts you wish to calculateSWITCH185={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5026307702064514}The switching functions to use for each of the contacts in your mapWEIGHT185=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS186=83,2704the atoms involved in each of the contacts you wish to calculateSWITCH186={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6183369755744934}The switching functions to use for each of the contacts in your mapWEIGHT186=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS187=84,584the atoms involved in each of the contacts you wish to calculateSWITCH187={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6359981298446655}The switching functions to use for each of the contacts in your mapWEIGHT187=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS188=84,586the atoms involved in each of the contacts you wish to calculateSWITCH188={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5245013236999512}The switching functions to use for each of the contacts in your mapWEIGHT188=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS189=84,588the atoms involved in each of the contacts you wish to calculateSWITCH189={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.3791157007217407}The switching functions to use for each of the contacts in your mapWEIGHT189=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS190=84,592the atoms involved in each of the contacts you wish to calculateSWITCH190={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5582054853439331}The switching functions to use for each of the contacts in your mapWEIGHT190=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS191=84,650the atoms involved in each of the contacts you wish to calculateSWITCH191={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7489091157913208}The switching functions to use for each of the contacts in your mapWEIGHT191=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS192=84,652the atoms involved in each of the contacts you wish to calculateSWITCH192={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.634943962097168}The switching functions to use for each of the contacts in your mapWEIGHT192=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS193=84,655the atoms involved in each of the contacts you wish to calculateSWITCH193={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6382222175598145}The switching functions to use for each of the contacts in your mapWEIGHT193=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS194=84,656the atoms involved in each of the contacts you wish to calculateSWITCH194={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6211105585098267}The switching functions to use for each of the contacts in your mapWEIGHT194=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS195=84,658the atoms involved in each of the contacts you wish to calculateSWITCH195={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6585385799407959}The switching functions to use for each of the contacts in your mapWEIGHT195=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS196=84,660the atoms involved in each of the contacts you wish to calculateSWITCH196={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7242143750190735}The switching functions to use for each of the contacts in your mapWEIGHT196=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS197=84,661the atoms involved in each of the contacts you wish to calculateSWITCH197={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8102027773857117}The switching functions to use for each of the contacts in your mapWEIGHT197=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS198=84,663the atoms involved in each of the contacts you wish to calculateSWITCH198={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7491664886474609}The switching functions to use for each of the contacts in your mapWEIGHT198=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS199=84,665the atoms involved in each of the contacts you wish to calculateSWITCH199={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7025509476661682}The switching functions to use for each of the contacts in your mapWEIGHT199=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS200=84,2623the atoms involved in each of the contacts you wish to calculateSWITCH200={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7613797187805176}The switching functions to use for each of the contacts in your mapWEIGHT200=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS201=84,2625the atoms involved in each of the contacts you wish to calculateSWITCH201={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7393909096717834}The switching functions to use for each of the contacts in your mapWEIGHT201=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS202=84,2627the atoms involved in each of the contacts you wish to calculateSWITCH202={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7952523231506348}The switching functions to use for each of the contacts in your mapWEIGHT202=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS203=84,2631the atoms involved in each of the contacts you wish to calculateSWITCH203={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8447737097740173}The switching functions to use for each of the contacts in your mapWEIGHT203=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS204=84,2670the atoms involved in each of the contacts you wish to calculateSWITCH204={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6004908680915833}The switching functions to use for each of the contacts in your mapWEIGHT204=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS205=84,2672the atoms involved in each of the contacts you wish to calculateSWITCH205={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5712877511978149}The switching functions to use for each of the contacts in your mapWEIGHT205=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS206=84,2675the atoms involved in each of the contacts you wish to calculateSWITCH206={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7087430953979492}The switching functions to use for each of the contacts in your mapWEIGHT206=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS207=84,2678the atoms involved in each of the contacts you wish to calculateSWITCH207={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8185679912567139}The switching functions to use for each of the contacts in your mapWEIGHT207=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS208=84,2679the atoms involved in each of the contacts you wish to calculateSWITCH208={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9021114706993103}The switching functions to use for each of the contacts in your mapWEIGHT208=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS209=84,2680the atoms involved in each of the contacts you wish to calculateSWITCH209={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8321413993835449}The switching functions to use for each of the contacts in your mapWEIGHT209=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS210=84,2687the atoms involved in each of the contacts you wish to calculateSWITCH210={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.41042545437812805}The switching functions to use for each of the contacts in your mapWEIGHT210=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS211=84,2689the atoms involved in each of the contacts you wish to calculateSWITCH211={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45511651039123535}The switching functions to use for each of the contacts in your mapWEIGHT211=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS212=84,2692the atoms involved in each of the contacts you wish to calculateSWITCH212={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.38046836853027344}The switching functions to use for each of the contacts in your mapWEIGHT212=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS213=84,2695the atoms involved in each of the contacts you wish to calculateSWITCH213={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.4625239968299866}The switching functions to use for each of the contacts in your mapWEIGHT213=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS214=84,2698the atoms involved in each of the contacts you wish to calculateSWITCH214={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.45681431889533997}The switching functions to use for each of the contacts in your mapWEIGHT214=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS215=84,2700the atoms involved in each of the contacts you wish to calculateSWITCH215={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.42154377698898315}The switching functions to use for each of the contacts in your mapWEIGHT215=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS216=84,2701the atoms involved in each of the contacts you wish to calculateSWITCH216={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.37417587637901306}The switching functions to use for each of the contacts in your mapWEIGHT216=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS217=84,2704the atoms involved in each of the contacts you wish to calculateSWITCH217={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.490617960691452}The switching functions to use for each of the contacts in your mapWEIGHT217=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS218=86,584the atoms involved in each of the contacts you wish to calculateSWITCH218={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7240015268325806}The switching functions to use for each of the contacts in your mapWEIGHT218=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS219=86,586the atoms involved in each of the contacts you wish to calculateSWITCH219={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6307170987129211}The switching functions to use for each of the contacts in your mapWEIGHT219=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS220=86,588the atoms involved in each of the contacts you wish to calculateSWITCH220={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49542808532714844}The switching functions to use for each of the contacts in your mapWEIGHT220=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS221=86,592the atoms involved in each of the contacts you wish to calculateSWITCH221={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6283707618713379}The switching functions to use for each of the contacts in your mapWEIGHT221=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS222=86,650the atoms involved in each of the contacts you wish to calculateSWITCH222={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8365533351898193}The switching functions to use for each of the contacts in your mapWEIGHT222=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS223=86,652the atoms involved in each of the contacts you wish to calculateSWITCH223={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7566362619400024}The switching functions to use for each of the contacts in your mapWEIGHT223=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS224=86,655the atoms involved in each of the contacts you wish to calculateSWITCH224={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7693386673927307}The switching functions to use for each of the contacts in your mapWEIGHT224=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS225=86,656the atoms involved in each of the contacts you wish to calculateSWITCH225={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7203338742256165}The switching functions to use for each of the contacts in your mapWEIGHT225=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS226=86,658the atoms involved in each of the contacts you wish to calculateSWITCH226={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7620297074317932}The switching functions to use for each of the contacts in your mapWEIGHT226=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS227=86,660the atoms involved in each of the contacts you wish to calculateSWITCH227={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8583394289016724}The switching functions to use for each of the contacts in your mapWEIGHT227=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS228=86,661the atoms involved in each of the contacts you wish to calculateSWITCH228={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9409445524215698}The switching functions to use for each of the contacts in your mapWEIGHT228=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS229=86,663the atoms involved in each of the contacts you wish to calculateSWITCH229={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9087017178535461}The switching functions to use for each of the contacts in your mapWEIGHT229=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS230=86,665the atoms involved in each of the contacts you wish to calculateSWITCH230={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8619062304496765}The switching functions to use for each of the contacts in your mapWEIGHT230=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS231=86,2623the atoms involved in each of the contacts you wish to calculateSWITCH231={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7169845700263977}The switching functions to use for each of the contacts in your mapWEIGHT231=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS232=86,2625the atoms involved in each of the contacts you wish to calculateSWITCH232={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6834959983825684}The switching functions to use for each of the contacts in your mapWEIGHT232=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS233=86,2627the atoms involved in each of the contacts you wish to calculateSWITCH233={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.692775547504425}The switching functions to use for each of the contacts in your mapWEIGHT233=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS234=86,2631the atoms involved in each of the contacts you wish to calculateSWITCH234={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8089070916175842}The switching functions to use for each of the contacts in your mapWEIGHT234=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS235=86,2670the atoms involved in each of the contacts you wish to calculateSWITCH235={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6060764789581299}The switching functions to use for each of the contacts in your mapWEIGHT235=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS236=86,2672the atoms involved in each of the contacts you wish to calculateSWITCH236={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5181207060813904}The switching functions to use for each of the contacts in your mapWEIGHT236=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS237=86,2675the atoms involved in each of the contacts you wish to calculateSWITCH237={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6273994445800781}The switching functions to use for each of the contacts in your mapWEIGHT237=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS238=86,2678the atoms involved in each of the contacts you wish to calculateSWITCH238={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7430940270423889}The switching functions to use for each of the contacts in your mapWEIGHT238=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS239=86,2679the atoms involved in each of the contacts you wish to calculateSWITCH239={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8474751710891724}The switching functions to use for each of the contacts in your mapWEIGHT239=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS240=86,2680the atoms involved in each of the contacts you wish to calculateSWITCH240={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7452439069747925}The switching functions to use for each of the contacts in your mapWEIGHT240=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS241=86,2687the atoms involved in each of the contacts you wish to calculateSWITCH241={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5610818266868591}The switching functions to use for each of the contacts in your mapWEIGHT241=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS242=86,2689the atoms involved in each of the contacts you wish to calculateSWITCH242={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.617644727230072}The switching functions to use for each of the contacts in your mapWEIGHT242=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS243=86,2692the atoms involved in each of the contacts you wish to calculateSWITCH243={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5742668509483337}The switching functions to use for each of the contacts in your mapWEIGHT243=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS244=86,2695the atoms involved in each of the contacts you wish to calculateSWITCH244={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6853440403938293}The switching functions to use for each of the contacts in your mapWEIGHT244=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS245=86,2698the atoms involved in each of the contacts you wish to calculateSWITCH245={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6910494565963745}The switching functions to use for each of the contacts in your mapWEIGHT245=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS246=86,2700the atoms involved in each of the contacts you wish to calculateSWITCH246={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6638144850730896}The switching functions to use for each of the contacts in your mapWEIGHT246=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS247=86,2701the atoms involved in each of the contacts you wish to calculateSWITCH247={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6176127791404724}The switching functions to use for each of the contacts in your mapWEIGHT247=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS248=86,2704the atoms involved in each of the contacts you wish to calculateSWITCH248={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7214447855949402}The switching functions to use for each of the contacts in your mapWEIGHT248=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS249=88,584the atoms involved in each of the contacts you wish to calculateSWITCH249={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8257133960723877}The switching functions to use for each of the contacts in your mapWEIGHT249=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS250=88,586the atoms involved in each of the contacts you wish to calculateSWITCH250={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7469635605812073}The switching functions to use for each of the contacts in your mapWEIGHT250=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS251=88,588the atoms involved in each of the contacts you wish to calculateSWITCH251={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6138039827346802}The switching functions to use for each of the contacts in your mapWEIGHT251=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS252=88,592the atoms involved in each of the contacts you wish to calculateSWITCH252={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7426144480705261}The switching functions to use for each of the contacts in your mapWEIGHT252=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS253=88,650the atoms involved in each of the contacts you wish to calculateSWITCH253={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8834666013717651}The switching functions to use for each of the contacts in your mapWEIGHT253=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS254=88,652the atoms involved in each of the contacts you wish to calculateSWITCH254={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8192144632339478}The switching functions to use for each of the contacts in your mapWEIGHT254=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS255=88,655the atoms involved in each of the contacts you wish to calculateSWITCH255={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8241855502128601}The switching functions to use for each of the contacts in your mapWEIGHT255=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS256=88,656the atoms involved in each of the contacts you wish to calculateSWITCH256={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7545161843299866}The switching functions to use for each of the contacts in your mapWEIGHT256=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS257=88,658the atoms involved in each of the contacts you wish to calculateSWITCH257={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7885397672653198}The switching functions to use for each of the contacts in your mapWEIGHT257=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS258=88,660the atoms involved in each of the contacts you wish to calculateSWITCH258={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8964353203773499}The switching functions to use for each of the contacts in your mapWEIGHT258=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS259=88,661the atoms involved in each of the contacts you wish to calculateSWITCH259={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9711530804634094}The switching functions to use for each of the contacts in your mapWEIGHT259=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS260=88,663the atoms involved in each of the contacts you wish to calculateSWITCH260={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9638135433197021}The switching functions to use for each of the contacts in your mapWEIGHT260=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS261=88,665the atoms involved in each of the contacts you wish to calculateSWITCH261={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.9252039194107056}The switching functions to use for each of the contacts in your mapWEIGHT261=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS262=88,2623the atoms involved in each of the contacts you wish to calculateSWITCH262={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6527144312858582}The switching functions to use for each of the contacts in your mapWEIGHT262=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS263=88,2625the atoms involved in each of the contacts you wish to calculateSWITCH263={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6190008521080017}The switching functions to use for each of the contacts in your mapWEIGHT263=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS264=88,2627the atoms involved in each of the contacts you wish to calculateSWITCH264={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6037590503692627}The switching functions to use for each of the contacts in your mapWEIGHT264=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS265=88,2631the atoms involved in each of the contacts you wish to calculateSWITCH265={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7534478902816772}The switching functions to use for each of the contacts in your mapWEIGHT265=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS266=88,2670the atoms involved in each of the contacts you wish to calculateSWITCH266={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.589590311050415}The switching functions to use for each of the contacts in your mapWEIGHT266=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS267=88,2672the atoms involved in each of the contacts you wish to calculateSWITCH267={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.47330838441848755}The switching functions to use for each of the contacts in your mapWEIGHT267=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS268=88,2675the atoms involved in each of the contacts you wish to calculateSWITCH268={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5550546646118164}The switching functions to use for each of the contacts in your mapWEIGHT268=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS269=88,2678the atoms involved in each of the contacts you wish to calculateSWITCH269={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6750070452690125}The switching functions to use for each of the contacts in your mapWEIGHT269=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS270=88,2679the atoms involved in each of the contacts you wish to calculateSWITCH270={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7850998640060425}The switching functions to use for each of the contacts in your mapWEIGHT270=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS271=88,2680the atoms involved in each of the contacts you wish to calculateSWITCH271={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6800620555877686}The switching functions to use for each of the contacts in your mapWEIGHT271=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS272=88,2687the atoms involved in each of the contacts you wish to calculateSWITCH272={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6187803149223328}The switching functions to use for each of the contacts in your mapWEIGHT272=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS273=88,2689the atoms involved in each of the contacts you wish to calculateSWITCH273={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6758143901824951}The switching functions to use for each of the contacts in your mapWEIGHT273=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS274=88,2692the atoms involved in each of the contacts you wish to calculateSWITCH274={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.6547264456748962}The switching functions to use for each of the contacts in your mapWEIGHT274=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS275=88,2695the atoms involved in each of the contacts you wish to calculateSWITCH275={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7811508774757385}The switching functions to use for each of the contacts in your mapWEIGHT275=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS276=88,2698the atoms involved in each of the contacts you wish to calculateSWITCH276={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8025594353675842}The switching functions to use for each of the contacts in your mapWEIGHT276=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS277=88,2700the atoms involved in each of the contacts you wish to calculateSWITCH277={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7883719801902771}The switching functions to use for each of the contacts in your mapWEIGHT277=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS278=88,2701the atoms involved in each of the contacts you wish to calculateSWITCH278={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.7429414987564087}The switching functions to use for each of the contacts in your mapWEIGHT278=0.0035842293906810036A weight value for a given contact, by default is 1ATOMS279=88,2704the atoms involved in each of the contacts you wish to calculateSWITCH279={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.8522601127624512}The switching functions to use for each of the contacts in your mapWEIGHT279=0.0035842293906810036A weight value for a given contact, by default is 1LABEL=qtyra label for the action so that its output can be referenced in the input to other actionsSUMcalculate the sum of all the contacts in the inputNOPBC... CONTACTMAPignore the periodic boundary conditions when calculating distancesALPHABETA...Measures a distance including pbc between the instantaneous values of a set of torsional angles and set of reference values. More detailsATOMS1=16,18,20,23the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE1=1.5415784120559692the reference values for each of the torsional anglesATOMS2=18,20,23,25the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE2=-1.1005675792694092the reference values for each of the torsional anglesATOMS3=23,25,27,35the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE3=-1.1071521043777466the reference values for each of the torsional anglesATOMS4=25,27,35,37the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE4=-0.5905115008354187the reference values for each of the torsional anglesATOMS5=35,37,39,50the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE5=-0.9004539251327515the reference values for each of the torsional anglesATOMS6=37,39,50,52the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE6=-0.6792753338813782the reference values for each of the torsional anglesATOMS7=50,52,54,69the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE7=-1.3559045791625977the reference values for each of the torsional anglesATOMS8=52,54,69,71the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE8=-0.643721342086792the reference values for each of the torsional anglesATOMS9=69,71,73,90the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE9=-1.0945172309875488the reference values for each of the torsional anglesATOMS10=71,73,90,92the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE10=-0.8885443210601807the reference values for each of the torsional anglesATOMS11=90,92,94,105the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE11=-1.2611130475997925the reference values for each of the torsional anglesATOMS12=92,94,105,107the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE12=-0.6172705888748169the reference values for each of the torsional anglesATOMS13=105,107,109,117the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE13=-0.96987384557724the reference values for each of the torsional anglesATOMS14=107,109,117,119the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE14=-0.5412485599517822the reference values for each of the torsional anglesATOMS15=117,119,121,136the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE15=-1.4444003105163574the reference values for each of the torsional anglesATOMS16=119,121,136,138the atoms involved in each of the alpha-beta variables you wish to calculateREFERENCE16=-0.9746055006980896the reference values for each of the torsional anglesLABEL=ab ... ALPHABETAa label for the action so that its output can be referenced in the input to other actions
hh:ALPHARMSDProbe the alpha helical content of a protein structure. More detailsRESIDUES=1-9this command is used to specify the set of residues that could conceivably form part of the secondary structureTYPE=DRMSDthe manner in which RMSD alignment is performedR_0=0.1The r_0 parameter of the switching functionNN=6The n parameter of the switching functionMM=12The m parameter of the switching functionPBMETAD...Used to performed Parallel Bias metadynamics. More detailsLABEL=pbmetada label for the action so that its output can be referenced in the input to other actionsWALKERS_MPISwitch on MPI version of multiple walkers - not compatible with WALKERS_* options other than WALKERS_DIRARG=qh,qtyr,qtyra,ab,hhthe input for this action is the scalar output from one or more other actionsPACE=100000000the frequency for hill addition, one for all biasesHEIGHT=1the height of the Gaussian hills, one for all biasesBIASFACTOR=44use well tempered metadynamics with this bias factor, one for all biasesSIGMA=0.02,0.02,0.02,0.3,0.04the widths of the Gaussian hillsGRID_MIN=0.,0.,0.,0.,0the lower bounds for the gridGRID_MAX=1.,1.,1.,16.,4the upper bounds for the gridTEMP=300 ... PBMETADthe system temperature - this is only needed if you are doing well-tempered metadynamics
bias:REWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More detailsTEMP=300the system temperaturePrint quantities to a file. More detailsARG=qh,qtyr,qtyra,ab,hh,biasthe input for this action is the scalar output from one or more other actionsFILE=WEIGHTSthe name of the file on which to output these quantities