Project ID: plumID:21.017
Source: plumed/wtmetad/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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MOLINFOThis 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=0.0012903225806451613A 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=0.0012903225806451613A 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=0.0012903225806451613A 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=0.0012903225806451613A 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=0.0012903225806451613A 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=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS7=13,2546the atoms involved in each of the contacts you wish to calculateSWITCH7={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5190422534942627}The switching functions to use for each of the contacts in your mapWEIGHT7=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS8=13,2614the atoms involved in each of the contacts you wish to calculateSWITCH8={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 mapWEIGHT8=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS9=13,2615the atoms involved in each of the contacts you wish to calculateSWITCH9={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 mapWEIGHT9=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS10=14,62the atoms involved in each of the contacts you wish to calculateSWITCH10={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5936009287834167}The switching functions to use for each of the contacts in your mapWEIGHT10=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS11=14,2546the atoms involved in each of the contacts you wish to calculateSWITCH11={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.48446276783943176}The switching functions to use for each of the contacts in your mapWEIGHT11=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS12=14,2562the atoms involved in each of the contacts you wish to calculateSWITCH12={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 mapWEIGHT12=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS13=14,2611the atoms involved in each of the contacts you wish to calculateSWITCH13={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 mapWEIGHT13=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS14=14,2614the atoms involved in each of the contacts you wish to calculateSWITCH14={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 mapWEIGHT14=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS15=14,2615the atoms involved in each of the contacts you wish to calculateSWITCH15={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 mapWEIGHT15=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS16=15,2546the atoms involved in each of the contacts you wish to calculateSWITCH16={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49514731764793396}The switching functions to use for each of the contacts in your mapWEIGHT16=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS17=15,2614the atoms involved in each of the contacts you wish to calculateSWITCH17={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 mapWEIGHT17=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS18=15,2615the atoms involved in each of the contacts you wish to calculateSWITCH18={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 mapWEIGHT18=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS19=16,2614the atoms involved in each of the contacts you wish to calculateSWITCH19={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 mapWEIGHT19=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS20=17,2678the atoms involved in each of the contacts you wish to calculateSWITCH20={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 mapWEIGHT20=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS21=17,2679the atoms involved in each of the contacts you wish to calculateSWITCH21={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 mapWEIGHT21=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS22=17,2680the atoms involved in each of the contacts you wish to calculateSWITCH22={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 mapWEIGHT22=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS23=18,2608the atoms involved in each of the contacts you wish to calculateSWITCH23={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 mapWEIGHT23=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS24=18,2611the atoms involved in each of the contacts you wish to calculateSWITCH24={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 mapWEIGHT24=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS25=18,2614the atoms involved in each of the contacts you wish to calculateSWITCH25={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 mapWEIGHT25=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS26=18,2615the atoms involved in each of the contacts you wish to calculateSWITCH26={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 mapWEIGHT26=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS27=20,71the atoms involved in each of the contacts you wish to calculateSWITCH27={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 mapWEIGHT27=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS28=20,2606the atoms involved in each of the contacts you wish to calculateSWITCH28={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 mapWEIGHT28=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS29=20,2608the atoms involved in each of the contacts you wish to calculateSWITCH29={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 mapWEIGHT29=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS30=20,2611the atoms involved in each of the contacts you wish to calculateSWITCH30={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 mapWEIGHT30=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS31=20,2614the atoms involved in each of the contacts you wish to calculateSWITCH31={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 mapWEIGHT31=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS32=20,2615the atoms involved in each of the contacts you wish to calculateSWITCH32={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 mapWEIGHT32=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS33=20,2619the atoms involved in each of the contacts you wish to calculateSWITCH33={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 mapWEIGHT33=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS34=20,2620the atoms involved in each of the contacts you wish to calculateSWITCH34={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 mapWEIGHT34=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS35=20,2675the atoms involved in each of the contacts you wish to calculateSWITCH35={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 mapWEIGHT35=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS36=20,2678the atoms involved in each of the contacts you wish to calculateSWITCH36={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 mapWEIGHT36=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS37=20,2679the atoms involved in each of the contacts you wish to calculateSWITCH37={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 mapWEIGHT37=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS38=20,2680the atoms involved in each of the contacts you wish to calculateSWITCH38={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 mapWEIGHT38=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS39=23,71the atoms involved in each of the contacts you wish to calculateSWITCH39={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 mapWEIGHT39=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS40=23,73the atoms involved in each of the contacts you wish to calculateSWITCH40={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 mapWEIGHT40=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS41=23,75the atoms involved in each of the contacts you wish to calculateSWITCH41={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 mapWEIGHT41=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS42=23,2606the atoms involved in each of the contacts you wish to calculateSWITCH42={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 mapWEIGHT42=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS43=23,2608the atoms involved in each of the contacts you wish to calculateSWITCH43={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 mapWEIGHT43=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS44=23,2611the atoms involved in each of the contacts you wish to calculateSWITCH44={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 mapWEIGHT44=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS45=23,2614the atoms involved in each of the contacts you wish to calculateSWITCH45={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 mapWEIGHT45=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS46=23,2619the atoms involved in each of the contacts you wish to calculateSWITCH46={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 mapWEIGHT46=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS47=23,2620the atoms involved in each of the contacts you wish to calculateSWITCH47={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 mapWEIGHT47=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS48=23,2672the atoms involved in each of the contacts you wish to calculateSWITCH48={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 mapWEIGHT48=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS49=23,2675the atoms involved in each of the contacts you wish to calculateSWITCH49={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 mapWEIGHT49=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS50=23,2678the atoms involved in each of the contacts you wish to calculateSWITCH50={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 mapWEIGHT50=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS51=23,2679the atoms involved in each of the contacts you wish to calculateSWITCH51={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 mapWEIGHT51=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS52=23,2680the atoms involved in each of the contacts you wish to calculateSWITCH52={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 mapWEIGHT52=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS53=24,71the atoms involved in each of the contacts you wish to calculateSWITCH53={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 mapWEIGHT53=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS54=24,73the atoms involved in each of the contacts you wish to calculateSWITCH54={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 mapWEIGHT54=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS55=24,75the atoms involved in each of the contacts you wish to calculateSWITCH55={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 mapWEIGHT55=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS56=24,78the atoms involved in each of the contacts you wish to calculateSWITCH56={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 mapWEIGHT56=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS57=24,90the atoms involved in each of the contacts you wish to calculateSWITCH57={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 mapWEIGHT57=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS58=24,92the atoms involved in each of the contacts you wish to calculateSWITCH58={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 mapWEIGHT58=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS59=24,2606the atoms involved in each of the contacts you wish to calculateSWITCH59={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 mapWEIGHT59=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS60=24,2608the atoms involved in each of the contacts you wish to calculateSWITCH60={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 mapWEIGHT60=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS61=24,2611the atoms involved in each of the contacts you wish to calculateSWITCH61={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 mapWEIGHT61=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS62=24,2614the atoms involved in each of the contacts you wish to calculateSWITCH62={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 mapWEIGHT62=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS63=24,2619the atoms involved in each of the contacts you wish to calculateSWITCH63={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 mapWEIGHT63=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS64=24,2620the atoms involved in each of the contacts you wish to calculateSWITCH64={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 mapWEIGHT64=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS65=24,2621the atoms involved in each of the contacts you wish to calculateSWITCH65={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 mapWEIGHT65=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS66=24,2623the atoms involved in each of the contacts you wish to calculateSWITCH66={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 mapWEIGHT66=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS67=24,2627the atoms involved in each of the contacts you wish to calculateSWITCH67={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 mapWEIGHT67=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS68=24,2672the atoms involved in each of the contacts you wish to calculateSWITCH68={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 mapWEIGHT68=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS69=24,2675the atoms involved in each of the contacts you wish to calculateSWITCH69={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 mapWEIGHT69=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS70=24,2678the atoms involved in each of the contacts you wish to calculateSWITCH70={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 mapWEIGHT70=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS71=24,2679the atoms involved in each of the contacts you wish to calculateSWITCH71={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 mapWEIGHT71=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS72=24,2680the atoms involved in each of the contacts you wish to calculateSWITCH72={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 mapWEIGHT72=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS73=25,2608the atoms involved in each of the contacts you wish to calculateSWITCH73={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 mapWEIGHT73=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS74=25,2672the atoms involved in each of the contacts you wish to calculateSWITCH74={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 mapWEIGHT74=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS75=25,2675the atoms involved in each of the contacts you wish to calculateSWITCH75={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 mapWEIGHT75=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS76=25,2678the atoms involved in each of the contacts you wish to calculateSWITCH76={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 mapWEIGHT76=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS77=25,2679the atoms involved in each of the contacts you wish to calculateSWITCH77={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 mapWEIGHT77=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS78=25,2680the atoms involved in each of the contacts you wish to calculateSWITCH78={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 mapWEIGHT78=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS79=27,92the atoms involved in each of the contacts you wish to calculateSWITCH79={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 mapWEIGHT79=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS80=27,99the atoms involved in each of the contacts you wish to calculateSWITCH80={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 mapWEIGHT80=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS81=27,2672the atoms involved in each of the contacts you wish to calculateSWITCH81={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 mapWEIGHT81=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS82=27,2675the atoms involved in each of the contacts you wish to calculateSWITCH82={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 mapWEIGHT82=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS83=27,2678the atoms involved in each of the contacts you wish to calculateSWITCH83={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 mapWEIGHT83=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS84=27,2679the atoms involved in each of the contacts you wish to calculateSWITCH84={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 mapWEIGHT84=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS85=27,2680the atoms involved in each of the contacts you wish to calculateSWITCH85={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 mapWEIGHT85=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS86=27,2760the atoms involved in each of the contacts you wish to calculateSWITCH86={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 mapWEIGHT86=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS87=29,99the atoms involved in each of the contacts you wish to calculateSWITCH87={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 mapWEIGHT87=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS88=29,2672the atoms involved in each of the contacts you wish to calculateSWITCH88={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 mapWEIGHT88=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS89=29,2675the atoms involved in each of the contacts you wish to calculateSWITCH89={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 mapWEIGHT89=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS90=29,2678the atoms involved in each of the contacts you wish to calculateSWITCH90={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 mapWEIGHT90=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS91=29,2679the atoms involved in each of the contacts you wish to calculateSWITCH91={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 mapWEIGHT91=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS92=29,2680the atoms involved in each of the contacts you wish to calculateSWITCH92={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 mapWEIGHT92=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS93=29,2757the atoms involved in each of the contacts you wish to calculateSWITCH93={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 mapWEIGHT93=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS94=29,2760the atoms involved in each of the contacts you wish to calculateSWITCH94={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 mapWEIGHT94=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS95=32,99the atoms involved in each of the contacts you wish to calculateSWITCH95={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 mapWEIGHT95=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS96=32,102the atoms involved in each of the contacts you wish to calculateSWITCH96={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 mapWEIGHT96=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS97=32,2672the atoms involved in each of the contacts you wish to calculateSWITCH97={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 mapWEIGHT97=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS98=32,2675the atoms involved in each of the contacts you wish to calculateSWITCH98={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 mapWEIGHT98=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS99=32,2678the atoms involved in each of the contacts you wish to calculateSWITCH99={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 mapWEIGHT99=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS100=32,2679the atoms involved in each of the contacts you wish to calculateSWITCH100={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 mapWEIGHT100=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS101=32,2680the atoms involved in each of the contacts you wish to calculateSWITCH101={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 mapWEIGHT101=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS102=32,2754the atoms involved in each of the contacts you wish to calculateSWITCH102={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 mapWEIGHT102=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS103=32,2757the atoms involved in each of the contacts you wish to calculateSWITCH103={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 mapWEIGHT103=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS104=32,2760the atoms involved in each of the contacts you wish to calculateSWITCH104={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 mapWEIGHT104=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS105=33,92the atoms involved in each of the contacts you wish to calculateSWITCH105={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 mapWEIGHT105=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS106=33,99the atoms involved in each of the contacts you wish to calculateSWITCH106={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 mapWEIGHT106=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS107=33,102the atoms involved in each of the contacts you wish to calculateSWITCH107={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 mapWEIGHT107=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS108=33,2668the atoms involved in each of the contacts you wish to calculateSWITCH108={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 mapWEIGHT108=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS109=33,2670the atoms involved in each of the contacts you wish to calculateSWITCH109={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 mapWEIGHT109=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS110=33,2672the atoms involved in each of the contacts you wish to calculateSWITCH110={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 mapWEIGHT110=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS111=33,2675the atoms involved in each of the contacts you wish to calculateSWITCH111={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 mapWEIGHT111=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS112=33,2678the atoms involved in each of the contacts you wish to calculateSWITCH112={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 mapWEIGHT112=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS113=33,2679the atoms involved in each of the contacts you wish to calculateSWITCH113={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 mapWEIGHT113=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS114=33,2680the atoms involved in each of the contacts you wish to calculateSWITCH114={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 mapWEIGHT114=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS115=33,2683the atoms involved in each of the contacts you wish to calculateSWITCH115={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 mapWEIGHT115=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS116=33,2684the atoms involved in each of the contacts you wish to calculateSWITCH116={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 mapWEIGHT116=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS117=33,2751the atoms involved in each of the contacts you wish to calculateSWITCH117={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 mapWEIGHT117=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS118=33,2754the atoms involved in each of the contacts you wish to calculateSWITCH118={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 mapWEIGHT118=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS119=33,2757the atoms involved in each of the contacts you wish to calculateSWITCH119={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 mapWEIGHT119=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS120=33,2760the atoms involved in each of the contacts you wish to calculateSWITCH120={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 mapWEIGHT120=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS121=34,99the atoms involved in each of the contacts you wish to calculateSWITCH121={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 mapWEIGHT121=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS122=34,2672the atoms involved in each of the contacts you wish to calculateSWITCH122={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 mapWEIGHT122=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS123=34,2675the atoms involved in each of the contacts you wish to calculateSWITCH123={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 mapWEIGHT123=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS124=34,2678the atoms involved in each of the contacts you wish to calculateSWITCH124={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 mapWEIGHT124=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS125=34,2680the atoms involved in each of the contacts you wish to calculateSWITCH125={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 mapWEIGHT125=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS126=34,2757the atoms involved in each of the contacts you wish to calculateSWITCH126={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 mapWEIGHT126=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS127=34,2760the atoms involved in each of the contacts you wish to calculateSWITCH127={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 mapWEIGHT127=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS128=35,92the atoms involved in each of the contacts you wish to calculateSWITCH128={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 mapWEIGHT128=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS129=35,94the atoms involved in each of the contacts you wish to calculateSWITCH129={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 mapWEIGHT129=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS130=35,96the atoms involved in each of the contacts you wish to calculateSWITCH130={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 mapWEIGHT130=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS131=35,99the atoms involved in each of the contacts you wish to calculateSWITCH131={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 mapWEIGHT131=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS132=35,102the atoms involved in each of the contacts you wish to calculateSWITCH132={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 mapWEIGHT132=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS133=35,107the atoms involved in each of the contacts you wish to calculateSWITCH133={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 mapWEIGHT133=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS134=35,2675the atoms involved in each of the contacts you wish to calculateSWITCH134={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 mapWEIGHT134=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS135=35,2678the atoms involved in each of the contacts you wish to calculateSWITCH135={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 mapWEIGHT135=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS136=35,2680the atoms involved in each of the contacts you wish to calculateSWITCH136={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 mapWEIGHT136=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS137=35,2760the atoms involved in each of the contacts you wish to calculateSWITCH137={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 mapWEIGHT137=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS138=36,92the atoms involved in each of the contacts you wish to calculateSWITCH138={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 mapWEIGHT138=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS139=36,94the atoms involved in each of the contacts you wish to calculateSWITCH139={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 mapWEIGHT139=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS140=36,96the atoms involved in each of the contacts you wish to calculateSWITCH140={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 mapWEIGHT140=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS141=36,99the atoms involved in each of the contacts you wish to calculateSWITCH141={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 mapWEIGHT141=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS142=36,102the atoms involved in each of the contacts you wish to calculateSWITCH142={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 mapWEIGHT142=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS143=36,103the atoms involved in each of the contacts you wish to calculateSWITCH143={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 mapWEIGHT143=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS144=36,104the atoms involved in each of the contacts you wish to calculateSWITCH144={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 mapWEIGHT144=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS145=36,105the atoms involved in each of the contacts you wish to calculateSWITCH145={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 mapWEIGHT145=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS146=36,107the atoms involved in each of the contacts you wish to calculateSWITCH146={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 mapWEIGHT146=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS147=36,2672the atoms involved in each of the contacts you wish to calculateSWITCH147={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 mapWEIGHT147=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS148=36,2675the atoms involved in each of the contacts you wish to calculateSWITCH148={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 mapWEIGHT148=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS149=36,2680the atoms involved in each of the contacts you wish to calculateSWITCH149={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 mapWEIGHT149=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS150=36,2757the atoms involved in each of the contacts you wish to calculateSWITCH150={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 mapWEIGHT150=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS151=36,2760the atoms involved in each of the contacts you wish to calculateSWITCH151={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 mapWEIGHT151=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS152=39,107the atoms involved in each of the contacts you wish to calculateSWITCH152={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 mapWEIGHT152=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS153=39,111the atoms involved in each of the contacts you wish to calculateSWITCH153={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 mapWEIGHT153=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS154=50,107the atoms involved in each of the contacts you wish to calculateSWITCH154={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 mapWEIGHT154=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS155=50,109the atoms involved in each of the contacts you wish to calculateSWITCH155={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 mapWEIGHT155=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS156=50,111the atoms involved in each of the contacts you wish to calculateSWITCH156={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 mapWEIGHT156=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS157=50,114the atoms involved in each of the contacts you wish to calculateSWITCH157={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 mapWEIGHT157=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS158=51,107the atoms involved in each of the contacts you wish to calculateSWITCH158={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 mapWEIGHT158=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS159=51,109the atoms involved in each of the contacts you wish to calculateSWITCH159={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 mapWEIGHT159=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS160=51,111the atoms involved in each of the contacts you wish to calculateSWITCH160={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 mapWEIGHT160=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS161=51,114the atoms involved in each of the contacts you wish to calculateSWITCH161={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 mapWEIGHT161=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS162=51,115the atoms involved in each of the contacts you wish to calculateSWITCH162={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 mapWEIGHT162=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS163=51,116the atoms involved in each of the contacts you wish to calculateSWITCH163={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 mapWEIGHT163=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS164=51,117the atoms involved in each of the contacts you wish to calculateSWITCH164={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 mapWEIGHT164=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS165=51,119the atoms involved in each of the contacts you wish to calculateSWITCH165={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 mapWEIGHT165=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS166=51,2491the atoms involved in each of the contacts you wish to calculateSWITCH166={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 mapWEIGHT166=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS167=52,2491the atoms involved in each of the contacts you wish to calculateSWITCH167={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 mapWEIGHT167=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS168=52,2627the atoms involved in each of the contacts you wish to calculateSWITCH168={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 mapWEIGHT168=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS169=54,119the atoms involved in each of the contacts you wish to calculateSWITCH169={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 mapWEIGHT169=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS170=54,123the atoms involved in each of the contacts you wish to calculateSWITCH170={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 mapWEIGHT170=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS171=54,2489the atoms involved in each of the contacts you wish to calculateSWITCH171={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 mapWEIGHT171=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS172=54,2491the atoms involved in each of the contacts you wish to calculateSWITCH172={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 mapWEIGHT172=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS173=54,2493the atoms involved in each of the contacts you wish to calculateSWITCH173={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 mapWEIGHT173=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS174=54,2627the atoms involved in each of the contacts you wish to calculateSWITCH174={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 mapWEIGHT174=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS175=56,2484the atoms involved in each of the contacts you wish to calculateSWITCH175={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 mapWEIGHT175=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS176=56,2489the atoms involved in each of the contacts you wish to calculateSWITCH176={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 mapWEIGHT176=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS177=56,2491the atoms involved in each of the contacts you wish to calculateSWITCH177={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 mapWEIGHT177=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS178=56,2493the atoms involved in each of the contacts you wish to calculateSWITCH178={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 mapWEIGHT178=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS179=56,2556the atoms involved in each of the contacts you wish to calculateSWITCH179={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 mapWEIGHT179=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS180=56,2558the atoms involved in each of the contacts you wish to calculateSWITCH180={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 mapWEIGHT180=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS181=56,2561the atoms involved in each of the contacts you wish to calculateSWITCH181={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 mapWEIGHT181=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS182=56,2562the atoms involved in each of the contacts you wish to calculateSWITCH182={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 mapWEIGHT182=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS183=56,2564the atoms involved in each of the contacts you wish to calculateSWITCH183={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 mapWEIGHT183=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS184=56,2565the atoms involved in each of the contacts you wish to calculateSWITCH184={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 mapWEIGHT184=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS185=56,2608the atoms involved in each of the contacts you wish to calculateSWITCH185={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 mapWEIGHT185=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS186=56,2611the atoms involved in each of the contacts you wish to calculateSWITCH186={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 mapWEIGHT186=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS187=56,2614the atoms involved in each of the contacts you wish to calculateSWITCH187={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 mapWEIGHT187=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS188=56,2625the atoms involved in each of the contacts you wish to calculateSWITCH188={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 mapWEIGHT188=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS189=56,2627the atoms involved in each of the contacts you wish to calculateSWITCH189={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 mapWEIGHT189=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS190=58,123the atoms involved in each of the contacts you wish to calculateSWITCH190={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 mapWEIGHT190=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS191=58,2481the atoms involved in each of the contacts you wish to calculateSWITCH191={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 mapWEIGHT191=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS192=58,2484the atoms involved in each of the contacts you wish to calculateSWITCH192={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 mapWEIGHT192=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS193=58,2485the atoms involved in each of the contacts you wish to calculateSWITCH193={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 mapWEIGHT193=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS194=58,2487the atoms involved in each of the contacts you wish to calculateSWITCH194={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 mapWEIGHT194=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS195=58,2489the atoms involved in each of the contacts you wish to calculateSWITCH195={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 mapWEIGHT195=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS196=58,2491the atoms involved in each of the contacts you wish to calculateSWITCH196={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 mapWEIGHT196=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS197=58,2493the atoms involved in each of the contacts you wish to calculateSWITCH197={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 mapWEIGHT197=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS198=58,2556the atoms involved in each of the contacts you wish to calculateSWITCH198={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 mapWEIGHT198=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS199=58,2558the atoms involved in each of the contacts you wish to calculateSWITCH199={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 mapWEIGHT199=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS200=58,2561the atoms involved in each of the contacts you wish to calculateSWITCH200={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 mapWEIGHT200=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS201=58,2562the atoms involved in each of the contacts you wish to calculateSWITCH201={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 mapWEIGHT201=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS202=58,2564the atoms involved in each of the contacts you wish to calculateSWITCH202={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 mapWEIGHT202=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS203=58,2565the atoms involved in each of the contacts you wish to calculateSWITCH203={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 mapWEIGHT203=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS204=58,2566the atoms involved in each of the contacts you wish to calculateSWITCH204={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 mapWEIGHT204=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS205=58,2568the atoms involved in each of the contacts you wish to calculateSWITCH205={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 mapWEIGHT205=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS206=58,2579the atoms involved in each of the contacts you wish to calculateSWITCH206={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 mapWEIGHT206=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS207=58,2608the atoms involved in each of the contacts you wish to calculateSWITCH207={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 mapWEIGHT207=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS208=58,2611the atoms involved in each of the contacts you wish to calculateSWITCH208={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 mapWEIGHT208=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS209=58,2614the atoms involved in each of the contacts you wish to calculateSWITCH209={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 mapWEIGHT209=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS210=58,2621the atoms involved in each of the contacts you wish to calculateSWITCH210={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 mapWEIGHT210=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS211=58,2623the atoms involved in each of the contacts you wish to calculateSWITCH211={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 mapWEIGHT211=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS212=58,2625the atoms involved in each of the contacts you wish to calculateSWITCH212={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 mapWEIGHT212=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS213=58,2627the atoms involved in each of the contacts you wish to calculateSWITCH213={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 mapWEIGHT213=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS214=58,2631the atoms involved in each of the contacts you wish to calculateSWITCH214={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 mapWEIGHT214=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS215=62,2491the atoms involved in each of the contacts you wish to calculateSWITCH215={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 mapWEIGHT215=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS216=62,2493the atoms involved in each of the contacts you wish to calculateSWITCH216={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 mapWEIGHT216=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS217=62,2556the atoms involved in each of the contacts you wish to calculateSWITCH217={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 mapWEIGHT217=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS218=62,2558the atoms involved in each of the contacts you wish to calculateSWITCH218={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 mapWEIGHT218=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS219=62,2561the atoms involved in each of the contacts you wish to calculateSWITCH219={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 mapWEIGHT219=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS220=62,2562the atoms involved in each of the contacts you wish to calculateSWITCH220={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 mapWEIGHT220=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS221=62,2563the atoms involved in each of the contacts you wish to calculateSWITCH221={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 mapWEIGHT221=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS222=62,2564the atoms involved in each of the contacts you wish to calculateSWITCH222={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 mapWEIGHT222=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS223=62,2565the atoms involved in each of the contacts you wish to calculateSWITCH223={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 mapWEIGHT223=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS224=62,2608the atoms involved in each of the contacts you wish to calculateSWITCH224={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 mapWEIGHT224=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS225=62,2611the atoms involved in each of the contacts you wish to calculateSWITCH225={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 mapWEIGHT225=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS226=62,2614the atoms involved in each of the contacts you wish to calculateSWITCH226={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 mapWEIGHT226=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS227=62,2615the atoms involved in each of the contacts you wish to calculateSWITCH227={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 mapWEIGHT227=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS228=62,2627the atoms involved in each of the contacts you wish to calculateSWITCH228={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 mapWEIGHT228=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS229=65,2476the atoms involved in each of the contacts you wish to calculateSWITCH229={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.585429847240448}The switching functions to use for each of the contacts in your mapWEIGHT229=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS230=65,2481the atoms involved in each of the contacts you wish to calculateSWITCH230={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 mapWEIGHT230=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS231=65,2484the atoms involved in each of the contacts you wish to calculateSWITCH231={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 mapWEIGHT231=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS232=65,2489the atoms involved in each of the contacts you wish to calculateSWITCH232={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 mapWEIGHT232=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS233=65,2491the atoms involved in each of the contacts you wish to calculateSWITCH233={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 mapWEIGHT233=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS234=65,2493the atoms involved in each of the contacts you wish to calculateSWITCH234={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 mapWEIGHT234=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS235=65,2556the atoms involved in each of the contacts you wish to calculateSWITCH235={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 mapWEIGHT235=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS236=65,2558the atoms involved in each of the contacts you wish to calculateSWITCH236={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 mapWEIGHT236=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS237=65,2561the atoms involved in each of the contacts you wish to calculateSWITCH237={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 mapWEIGHT237=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS238=65,2562the atoms involved in each of the contacts you wish to calculateSWITCH238={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 mapWEIGHT238=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS239=65,2563the atoms involved in each of the contacts you wish to calculateSWITCH239={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 mapWEIGHT239=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS240=65,2564the atoms involved in each of the contacts you wish to calculateSWITCH240={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 mapWEIGHT240=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS241=65,2565the atoms involved in each of the contacts you wish to calculateSWITCH241={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 mapWEIGHT241=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS242=65,2614the atoms involved in each of the contacts you wish to calculateSWITCH242={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 mapWEIGHT242=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS243=69,119the atoms involved in each of the contacts you wish to calculateSWITCH243={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 mapWEIGHT243=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS244=69,121the atoms involved in each of the contacts you wish to calculateSWITCH244={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 mapWEIGHT244=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS245=69,123the atoms involved in each of the contacts you wish to calculateSWITCH245={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 mapWEIGHT245=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS246=69,2487the atoms involved in each of the contacts you wish to calculateSWITCH246={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 mapWEIGHT246=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS247=69,2489the atoms involved in each of the contacts you wish to calculateSWITCH247={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 mapWEIGHT247=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS248=69,2491the atoms involved in each of the contacts you wish to calculateSWITCH248={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 mapWEIGHT248=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS249=69,2493the atoms involved in each of the contacts you wish to calculateSWITCH249={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 mapWEIGHT249=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS250=69,2625the atoms involved in each of the contacts you wish to calculateSWITCH250={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 mapWEIGHT250=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS251=69,2627the atoms involved in each of the contacts you wish to calculateSWITCH251={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 mapWEIGHT251=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS252=70,119the atoms involved in each of the contacts you wish to calculateSWITCH252={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 mapWEIGHT252=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS253=70,121the atoms involved in each of the contacts you wish to calculateSWITCH253={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 mapWEIGHT253=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS254=70,123the atoms involved in each of the contacts you wish to calculateSWITCH254={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 mapWEIGHT254=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS255=70,126the atoms involved in each of the contacts you wish to calculateSWITCH255={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 mapWEIGHT255=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS256=70,128the atoms involved in each of the contacts you wish to calculateSWITCH256={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 mapWEIGHT256=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS257=70,132the atoms involved in each of the contacts you wish to calculateSWITCH257={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 mapWEIGHT257=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS258=70,136the atoms involved in each of the contacts you wish to calculateSWITCH258={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 mapWEIGHT258=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS259=70,138the atoms involved in each of the contacts you wish to calculateSWITCH259={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 mapWEIGHT259=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS260=70,2484the atoms involved in each of the contacts you wish to calculateSWITCH260={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 mapWEIGHT260=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS261=70,2485the atoms involved in each of the contacts you wish to calculateSWITCH261={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 mapWEIGHT261=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS262=70,2487the atoms involved in each of the contacts you wish to calculateSWITCH262={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 mapWEIGHT262=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS263=70,2489the atoms involved in each of the contacts you wish to calculateSWITCH263={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 mapWEIGHT263=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS264=70,2491the atoms involved in each of the contacts you wish to calculateSWITCH264={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 mapWEIGHT264=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS265=70,2493the atoms involved in each of the contacts you wish to calculateSWITCH265={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 mapWEIGHT265=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS266=70,2625the atoms involved in each of the contacts you wish to calculateSWITCH266={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 mapWEIGHT266=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS267=70,2627the atoms involved in each of the contacts you wish to calculateSWITCH267={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 mapWEIGHT267=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS268=71,2623the atoms involved in each of the contacts you wish to calculateSWITCH268={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 mapWEIGHT268=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS269=71,2625the atoms involved in each of the contacts you wish to calculateSWITCH269={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 mapWEIGHT269=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS270=71,2627the atoms involved in each of the contacts you wish to calculateSWITCH270={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 mapWEIGHT270=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS271=71,2672the atoms involved in each of the contacts you wish to calculateSWITCH271={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 mapWEIGHT271=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS272=71,2675the atoms involved in each of the contacts you wish to calculateSWITCH272={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 mapWEIGHT272=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS273=73,138the atoms involved in each of the contacts you wish to calculateSWITCH273={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 mapWEIGHT273=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS274=73,140the atoms involved in each of the contacts you wish to calculateSWITCH274={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 mapWEIGHT274=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS275=73,142the atoms involved in each of the contacts you wish to calculateSWITCH275={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 mapWEIGHT275=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS276=73,145the atoms involved in each of the contacts you wish to calculateSWITCH276={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 mapWEIGHT276=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS277=73,2623the atoms involved in each of the contacts you wish to calculateSWITCH277={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 mapWEIGHT277=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS278=73,2625the atoms involved in each of the contacts you wish to calculateSWITCH278={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 mapWEIGHT278=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS279=73,2627the atoms involved in each of the contacts you wish to calculateSWITCH279={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 mapWEIGHT279=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS280=73,2636the atoms involved in each of the contacts you wish to calculateSWITCH280={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 mapWEIGHT280=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS281=73,2672the atoms involved in each of the contacts you wish to calculateSWITCH281={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 mapWEIGHT281=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS282=73,2675the atoms involved in each of the contacts you wish to calculateSWITCH282={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 mapWEIGHT282=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS283=73,2757the atoms involved in each of the contacts you wish to calculateSWITCH283={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 mapWEIGHT283=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS284=75,142the atoms involved in each of the contacts you wish to calculateSWITCH284={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 mapWEIGHT284=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS285=75,145the atoms involved in each of the contacts you wish to calculateSWITCH285={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 mapWEIGHT285=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS286=75,2621the atoms involved in each of the contacts you wish to calculateSWITCH286={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 mapWEIGHT286=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS287=75,2623the atoms involved in each of the contacts you wish to calculateSWITCH287={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 mapWEIGHT287=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS288=75,2625the atoms involved in each of the contacts you wish to calculateSWITCH288={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 mapWEIGHT288=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS289=75,2627the atoms involved in each of the contacts you wish to calculateSWITCH289={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 mapWEIGHT289=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS290=75,2635the atoms involved in each of the contacts you wish to calculateSWITCH290={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 mapWEIGHT290=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS291=75,2636the atoms involved in each of the contacts you wish to calculateSWITCH291={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 mapWEIGHT291=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS292=75,2670the atoms involved in each of the contacts you wish to calculateSWITCH292={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 mapWEIGHT292=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS293=75,2672the atoms involved in each of the contacts you wish to calculateSWITCH293={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 mapWEIGHT293=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS294=75,2675the atoms involved in each of the contacts you wish to calculateSWITCH294={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 mapWEIGHT294=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS295=75,2678the atoms involved in each of the contacts you wish to calculateSWITCH295={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 mapWEIGHT295=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS296=75,2680the atoms involved in each of the contacts you wish to calculateSWITCH296={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 mapWEIGHT296=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS297=75,2683the atoms involved in each of the contacts you wish to calculateSWITCH297={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 mapWEIGHT297=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS298=75,2685the atoms involved in each of the contacts you wish to calculateSWITCH298={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 mapWEIGHT298=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS299=75,2754the atoms involved in each of the contacts you wish to calculateSWITCH299={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 mapWEIGHT299=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS300=75,2757the atoms involved in each of the contacts you wish to calculateSWITCH300={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 mapWEIGHT300=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS301=75,2760the atoms involved in each of the contacts you wish to calculateSWITCH301={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 mapWEIGHT301=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS302=78,138the atoms involved in each of the contacts you wish to calculateSWITCH302={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 mapWEIGHT302=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS303=78,142the atoms involved in each of the contacts you wish to calculateSWITCH303={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 mapWEIGHT303=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS304=78,145the atoms involved in each of the contacts you wish to calculateSWITCH304={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 mapWEIGHT304=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS305=78,148the atoms involved in each of the contacts you wish to calculateSWITCH305={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 mapWEIGHT305=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS306=78,149the atoms involved in each of the contacts you wish to calculateSWITCH306={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 mapWEIGHT306=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS307=78,2623the atoms involved in each of the contacts you wish to calculateSWITCH307={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 mapWEIGHT307=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS308=78,2625the atoms involved in each of the contacts you wish to calculateSWITCH308={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 mapWEIGHT308=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS309=78,2627the atoms involved in each of the contacts you wish to calculateSWITCH309={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 mapWEIGHT309=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS310=78,2635the atoms involved in each of the contacts you wish to calculateSWITCH310={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 mapWEIGHT310=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS311=78,2636the atoms involved in each of the contacts you wish to calculateSWITCH311={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 mapWEIGHT311=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS312=78,2668the atoms involved in each of the contacts you wish to calculateSWITCH312={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 mapWEIGHT312=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS313=78,2670the atoms involved in each of the contacts you wish to calculateSWITCH313={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 mapWEIGHT313=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS314=78,2672the atoms involved in each of the contacts you wish to calculateSWITCH314={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 mapWEIGHT314=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS315=78,2675the atoms involved in each of the contacts you wish to calculateSWITCH315={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 mapWEIGHT315=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS316=78,2678the atoms involved in each of the contacts you wish to calculateSWITCH316={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 mapWEIGHT316=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS317=78,2683the atoms involved in each of the contacts you wish to calculateSWITCH317={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 mapWEIGHT317=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS318=78,2684the atoms involved in each of the contacts you wish to calculateSWITCH318={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 mapWEIGHT318=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS319=78,2685the atoms involved in each of the contacts you wish to calculateSWITCH319={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 mapWEIGHT319=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS320=78,2687the atoms involved in each of the contacts you wish to calculateSWITCH320={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 mapWEIGHT320=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS321=78,2751the atoms involved in each of the contacts you wish to calculateSWITCH321={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 mapWEIGHT321=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS322=78,2754the atoms involved in each of the contacts you wish to calculateSWITCH322={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 mapWEIGHT322=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS323=78,2757the atoms involved in each of the contacts you wish to calculateSWITCH323={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 mapWEIGHT323=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS324=78,2760the atoms involved in each of the contacts you wish to calculateSWITCH324={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 mapWEIGHT324=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS325=79,142the atoms involved in each of the contacts you wish to calculateSWITCH325={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 mapWEIGHT325=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS326=79,145the atoms involved in each of the contacts you wish to calculateSWITCH326={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 mapWEIGHT326=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS327=79,148the atoms involved in each of the contacts you wish to calculateSWITCH327={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 mapWEIGHT327=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS328=79,149the atoms involved in each of the contacts you wish to calculateSWITCH328={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 mapWEIGHT328=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS329=79,656the atoms involved in each of the contacts you wish to calculateSWITCH329={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 mapWEIGHT329=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS330=79,658the atoms involved in each of the contacts you wish to calculateSWITCH330={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 mapWEIGHT330=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS331=79,2621the atoms involved in each of the contacts you wish to calculateSWITCH331={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 mapWEIGHT331=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS332=79,2623the atoms involved in each of the contacts you wish to calculateSWITCH332={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 mapWEIGHT332=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS333=79,2625the atoms involved in each of the contacts you wish to calculateSWITCH333={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 mapWEIGHT333=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS334=79,2627the atoms involved in each of the contacts you wish to calculateSWITCH334={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 mapWEIGHT334=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS335=79,2631the atoms involved in each of the contacts you wish to calculateSWITCH335={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 mapWEIGHT335=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS336=79,2635the atoms involved in each of the contacts you wish to calculateSWITCH336={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 mapWEIGHT336=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS337=79,2636the atoms involved in each of the contacts you wish to calculateSWITCH337={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 mapWEIGHT337=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS338=79,2637the atoms involved in each of the contacts you wish to calculateSWITCH338={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 mapWEIGHT338=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS339=79,2668the atoms involved in each of the contacts you wish to calculateSWITCH339={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 mapWEIGHT339=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS340=79,2670the atoms involved in each of the contacts you wish to calculateSWITCH340={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 mapWEIGHT340=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS341=79,2672the atoms involved in each of the contacts you wish to calculateSWITCH341={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 mapWEIGHT341=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS342=79,2675the atoms involved in each of the contacts you wish to calculateSWITCH342={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 mapWEIGHT342=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS343=79,2678the atoms involved in each of the contacts you wish to calculateSWITCH343={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 mapWEIGHT343=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS344=79,2683the atoms involved in each of the contacts you wish to calculateSWITCH344={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 mapWEIGHT344=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS345=79,2684the atoms involved in each of the contacts you wish to calculateSWITCH345={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 mapWEIGHT345=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS346=79,2685the atoms involved in each of the contacts you wish to calculateSWITCH346={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 mapWEIGHT346=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS347=79,2687the atoms involved in each of the contacts you wish to calculateSWITCH347={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 mapWEIGHT347=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS348=79,2689the atoms involved in each of the contacts you wish to calculateSWITCH348={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 mapWEIGHT348=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS349=79,2692the atoms involved in each of the contacts you wish to calculateSWITCH349={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 mapWEIGHT349=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS350=79,2707the atoms involved in each of the contacts you wish to calculateSWITCH350={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 mapWEIGHT350=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS351=79,2748the atoms involved in each of the contacts you wish to calculateSWITCH351={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 mapWEIGHT351=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS352=79,2751the atoms involved in each of the contacts you wish to calculateSWITCH352={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 mapWEIGHT352=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS353=79,2754the atoms involved in each of the contacts you wish to calculateSWITCH353={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 mapWEIGHT353=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS354=79,2757the atoms involved in each of the contacts you wish to calculateSWITCH354={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 mapWEIGHT354=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS355=79,2760the atoms involved in each of the contacts you wish to calculateSWITCH355={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 mapWEIGHT355=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS356=81,142the atoms involved in each of the contacts you wish to calculateSWITCH356={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 mapWEIGHT356=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS357=81,145the atoms involved in each of the contacts you wish to calculateSWITCH357={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 mapWEIGHT357=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS358=81,148the atoms involved in each of the contacts you wish to calculateSWITCH358={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 mapWEIGHT358=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS359=81,149the atoms involved in each of the contacts you wish to calculateSWITCH359={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 mapWEIGHT359=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS360=81,588the atoms involved in each of the contacts you wish to calculateSWITCH360={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 mapWEIGHT360=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS361=81,655the atoms involved in each of the contacts you wish to calculateSWITCH361={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 mapWEIGHT361=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS362=81,656the atoms involved in each of the contacts you wish to calculateSWITCH362={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 mapWEIGHT362=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS363=81,658the atoms involved in each of the contacts you wish to calculateSWITCH363={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 mapWEIGHT363=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS364=81,2623the atoms involved in each of the contacts you wish to calculateSWITCH364={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 mapWEIGHT364=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS365=81,2625the atoms involved in each of the contacts you wish to calculateSWITCH365={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 mapWEIGHT365=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS366=81,2627the atoms involved in each of the contacts you wish to calculateSWITCH366={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 mapWEIGHT366=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS367=81,2635the atoms involved in each of the contacts you wish to calculateSWITCH367={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 mapWEIGHT367=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS368=81,2636the atoms involved in each of the contacts you wish to calculateSWITCH368={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 mapWEIGHT368=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS369=81,2668the atoms involved in each of the contacts you wish to calculateSWITCH369={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 mapWEIGHT369=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS370=81,2670the atoms involved in each of the contacts you wish to calculateSWITCH370={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 mapWEIGHT370=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS371=81,2672the atoms involved in each of the contacts you wish to calculateSWITCH371={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 mapWEIGHT371=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS372=81,2675the atoms involved in each of the contacts you wish to calculateSWITCH372={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 mapWEIGHT372=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS373=81,2683the atoms involved in each of the contacts you wish to calculateSWITCH373={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 mapWEIGHT373=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS374=81,2684the atoms involved in each of the contacts you wish to calculateSWITCH374={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 mapWEIGHT374=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS375=81,2685the atoms involved in each of the contacts you wish to calculateSWITCH375={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 mapWEIGHT375=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS376=81,2687the atoms involved in each of the contacts you wish to calculateSWITCH376={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 mapWEIGHT376=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS377=81,2689the atoms involved in each of the contacts you wish to calculateSWITCH377={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 mapWEIGHT377=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS378=81,2692the atoms involved in each of the contacts you wish to calculateSWITCH378={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 mapWEIGHT378=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS379=81,2695the atoms involved in each of the contacts you wish to calculateSWITCH379={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 mapWEIGHT379=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS380=81,2698the atoms involved in each of the contacts you wish to calculateSWITCH380={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 mapWEIGHT380=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS381=81,2700the atoms involved in each of the contacts you wish to calculateSWITCH381={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 mapWEIGHT381=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS382=81,2701the atoms involved in each of the contacts you wish to calculateSWITCH382={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 mapWEIGHT382=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS383=81,2707the atoms involved in each of the contacts you wish to calculateSWITCH383={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 mapWEIGHT383=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS384=81,2708the atoms involved in each of the contacts you wish to calculateSWITCH384={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 mapWEIGHT384=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS385=81,2748the atoms involved in each of the contacts you wish to calculateSWITCH385={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 mapWEIGHT385=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS386=81,2751the atoms involved in each of the contacts you wish to calculateSWITCH386={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 mapWEIGHT386=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS387=81,2754the atoms involved in each of the contacts you wish to calculateSWITCH387={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 mapWEIGHT387=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS388=81,2757the atoms involved in each of the contacts you wish to calculateSWITCH388={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 mapWEIGHT388=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS389=81,2760the atoms involved in each of the contacts you wish to calculateSWITCH389={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 mapWEIGHT389=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS390=83,142the atoms involved in each of the contacts you wish to calculateSWITCH390={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 mapWEIGHT390=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS391=83,145the atoms involved in each of the contacts you wish to calculateSWITCH391={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 mapWEIGHT391=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS392=83,148the atoms involved in each of the contacts you wish to calculateSWITCH392={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 mapWEIGHT392=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS393=83,149the atoms involved in each of the contacts you wish to calculateSWITCH393={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 mapWEIGHT393=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS394=83,588the atoms involved in each of the contacts you wish to calculateSWITCH394={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 mapWEIGHT394=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS395=83,2636the atoms involved in each of the contacts you wish to calculateSWITCH395={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 mapWEIGHT395=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS396=83,2670the atoms involved in each of the contacts you wish to calculateSWITCH396={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 mapWEIGHT396=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS397=83,2672the atoms involved in each of the contacts you wish to calculateSWITCH397={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 mapWEIGHT397=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS398=83,2683the atoms involved in each of the contacts you wish to calculateSWITCH398={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 mapWEIGHT398=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS399=83,2684the atoms involved in each of the contacts you wish to calculateSWITCH399={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 mapWEIGHT399=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS400=83,2685the atoms involved in each of the contacts you wish to calculateSWITCH400={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 mapWEIGHT400=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS401=83,2687the atoms involved in each of the contacts you wish to calculateSWITCH401={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 mapWEIGHT401=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS402=83,2689the atoms involved in each of the contacts you wish to calculateSWITCH402={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 mapWEIGHT402=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS403=83,2692the atoms involved in each of the contacts you wish to calculateSWITCH403={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 mapWEIGHT403=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS404=83,2695the atoms involved in each of the contacts you wish to calculateSWITCH404={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 mapWEIGHT404=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS405=83,2698the atoms involved in each of the contacts you wish to calculateSWITCH405={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 mapWEIGHT405=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS406=83,2700the atoms involved in each of the contacts you wish to calculateSWITCH406={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 mapWEIGHT406=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS407=83,2701the atoms involved in each of the contacts you wish to calculateSWITCH407={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 mapWEIGHT407=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS408=83,2707the atoms involved in each of the contacts you wish to calculateSWITCH408={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 mapWEIGHT408=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS409=83,2708the atoms involved in each of the contacts you wish to calculateSWITCH409={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 mapWEIGHT409=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS410=83,2746the atoms involved in each of the contacts you wish to calculateSWITCH410={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 mapWEIGHT410=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS411=83,2748the atoms involved in each of the contacts you wish to calculateSWITCH411={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 mapWEIGHT411=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS412=83,2751the atoms involved in each of the contacts you wish to calculateSWITCH412={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 mapWEIGHT412=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS413=83,2754the atoms involved in each of the contacts you wish to calculateSWITCH413={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 mapWEIGHT413=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS414=83,2757the atoms involved in each of the contacts you wish to calculateSWITCH414={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 mapWEIGHT414=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS415=83,2760the atoms involved in each of the contacts you wish to calculateSWITCH415={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 mapWEIGHT415=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS416=84,142the atoms involved in each of the contacts you wish to calculateSWITCH416={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 mapWEIGHT416=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS417=84,145the atoms involved in each of the contacts you wish to calculateSWITCH417={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 mapWEIGHT417=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS418=84,148the atoms involved in each of the contacts you wish to calculateSWITCH418={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 mapWEIGHT418=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS419=84,149the atoms involved in each of the contacts you wish to calculateSWITCH419={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 mapWEIGHT419=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS420=84,586the atoms involved in each of the contacts you wish to calculateSWITCH420={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 mapWEIGHT420=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS421=84,588the atoms involved in each of the contacts you wish to calculateSWITCH421={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 mapWEIGHT421=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS422=84,592the atoms involved in each of the contacts you wish to calculateSWITCH422={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 mapWEIGHT422=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS423=84,2636the atoms involved in each of the contacts you wish to calculateSWITCH423={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 mapWEIGHT423=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS424=84,2672the atoms involved in each of the contacts you wish to calculateSWITCH424={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 mapWEIGHT424=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS425=84,2683the atoms involved in each of the contacts you wish to calculateSWITCH425={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 mapWEIGHT425=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS426=84,2684the atoms involved in each of the contacts you wish to calculateSWITCH426={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 mapWEIGHT426=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS427=84,2685the atoms involved in each of the contacts you wish to calculateSWITCH427={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 mapWEIGHT427=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS428=84,2687the atoms involved in each of the contacts you wish to calculateSWITCH428={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 mapWEIGHT428=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS429=84,2689the atoms involved in each of the contacts you wish to calculateSWITCH429={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 mapWEIGHT429=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS430=84,2692the atoms involved in each of the contacts you wish to calculateSWITCH430={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 mapWEIGHT430=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS431=84,2695the atoms involved in each of the contacts you wish to calculateSWITCH431={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 mapWEIGHT431=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS432=84,2698the atoms involved in each of the contacts you wish to calculateSWITCH432={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 mapWEIGHT432=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS433=84,2700the atoms involved in each of the contacts you wish to calculateSWITCH433={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 mapWEIGHT433=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS434=84,2701the atoms involved in each of the contacts you wish to calculateSWITCH434={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 mapWEIGHT434=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS435=84,2704the atoms involved in each of the contacts you wish to calculateSWITCH435={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 mapWEIGHT435=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS436=84,2707the atoms involved in each of the contacts you wish to calculateSWITCH436={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 mapWEIGHT436=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS437=84,2708the atoms involved in each of the contacts you wish to calculateSWITCH437={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 mapWEIGHT437=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS438=84,2744the atoms involved in each of the contacts you wish to calculateSWITCH438={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 mapWEIGHT438=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS439=84,2746the atoms involved in each of the contacts you wish to calculateSWITCH439={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 mapWEIGHT439=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS440=84,2748the atoms involved in each of the contacts you wish to calculateSWITCH440={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 mapWEIGHT440=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS441=84,2751the atoms involved in each of the contacts you wish to calculateSWITCH441={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 mapWEIGHT441=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS442=84,2754the atoms involved in each of the contacts you wish to calculateSWITCH442={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 mapWEIGHT442=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS443=84,2757the atoms involved in each of the contacts you wish to calculateSWITCH443={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 mapWEIGHT443=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS444=84,2760the atoms involved in each of the contacts you wish to calculateSWITCH444={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 mapWEIGHT444=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS445=84,2764the atoms involved in each of the contacts you wish to calculateSWITCH445={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 mapWEIGHT445=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS446=84,2765the atoms involved in each of the contacts you wish to calculateSWITCH446={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 mapWEIGHT446=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS447=84,2766the atoms involved in each of the contacts you wish to calculateSWITCH447={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 mapWEIGHT447=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS448=84,2832the atoms involved in each of the contacts you wish to calculateSWITCH448={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5244048237800598}The switching functions to use for each of the contacts in your mapWEIGHT448=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS449=86,138the atoms involved in each of the contacts you wish to calculateSWITCH449={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 mapWEIGHT449=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS450=86,140the atoms involved in each of the contacts you wish to calculateSWITCH450={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 mapWEIGHT450=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS451=86,142the atoms involved in each of the contacts you wish to calculateSWITCH451={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 mapWEIGHT451=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS452=86,145the atoms involved in each of the contacts you wish to calculateSWITCH452={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 mapWEIGHT452=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS453=86,148the atoms involved in each of the contacts you wish to calculateSWITCH453={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 mapWEIGHT453=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS454=86,149the atoms involved in each of the contacts you wish to calculateSWITCH454={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 mapWEIGHT454=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS455=86,588the atoms involved in each of the contacts you wish to calculateSWITCH455={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 mapWEIGHT455=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS456=86,2672the atoms involved in each of the contacts you wish to calculateSWITCH456={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 mapWEIGHT456=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS457=86,2683the atoms involved in each of the contacts you wish to calculateSWITCH457={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 mapWEIGHT457=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS458=86,2684the atoms involved in each of the contacts you wish to calculateSWITCH458={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 mapWEIGHT458=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS459=86,2685the atoms involved in each of the contacts you wish to calculateSWITCH459={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 mapWEIGHT459=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS460=86,2687the atoms involved in each of the contacts you wish to calculateSWITCH460={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 mapWEIGHT460=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS461=86,2692the atoms involved in each of the contacts you wish to calculateSWITCH461={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 mapWEIGHT461=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS462=86,2748the atoms involved in each of the contacts you wish to calculateSWITCH462={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 mapWEIGHT462=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS463=86,2751the atoms involved in each of the contacts you wish to calculateSWITCH463={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 mapWEIGHT463=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS464=86,2754the atoms involved in each of the contacts you wish to calculateSWITCH464={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 mapWEIGHT464=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS465=86,2757the atoms involved in each of the contacts you wish to calculateSWITCH465={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 mapWEIGHT465=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS466=86,2760the atoms involved in each of the contacts you wish to calculateSWITCH466={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 mapWEIGHT466=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS467=88,138the atoms involved in each of the contacts you wish to calculateSWITCH467={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 mapWEIGHT467=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS468=88,140the atoms involved in each of the contacts you wish to calculateSWITCH468={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 mapWEIGHT468=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS469=88,142the atoms involved in each of the contacts you wish to calculateSWITCH469={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 mapWEIGHT469=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS470=88,145the atoms involved in each of the contacts you wish to calculateSWITCH470={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 mapWEIGHT470=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS471=88,148the atoms involved in each of the contacts you wish to calculateSWITCH471={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 mapWEIGHT471=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS472=88,149the atoms involved in each of the contacts you wish to calculateSWITCH472={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 mapWEIGHT472=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS473=88,2636the atoms involved in each of the contacts you wish to calculateSWITCH473={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 mapWEIGHT473=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS474=88,2670the atoms involved in each of the contacts you wish to calculateSWITCH474={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 mapWEIGHT474=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS475=88,2672the atoms involved in each of the contacts you wish to calculateSWITCH475={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 mapWEIGHT475=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS476=88,2675the atoms involved in each of the contacts you wish to calculateSWITCH476={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 mapWEIGHT476=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS477=88,2683the atoms involved in each of the contacts you wish to calculateSWITCH477={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 mapWEIGHT477=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS478=88,2684the atoms involved in each of the contacts you wish to calculateSWITCH478={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 mapWEIGHT478=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS479=88,2685the atoms involved in each of the contacts you wish to calculateSWITCH479={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 mapWEIGHT479=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS480=88,2748the atoms involved in each of the contacts you wish to calculateSWITCH480={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 mapWEIGHT480=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS481=88,2751the atoms involved in each of the contacts you wish to calculateSWITCH481={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 mapWEIGHT481=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS482=88,2754the atoms involved in each of the contacts you wish to calculateSWITCH482={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 mapWEIGHT482=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS483=88,2757the atoms involved in each of the contacts you wish to calculateSWITCH483={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 mapWEIGHT483=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS484=88,2760the atoms involved in each of the contacts you wish to calculateSWITCH484={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 mapWEIGHT484=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS485=90,138the atoms involved in each of the contacts you wish to calculateSWITCH485={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 mapWEIGHT485=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS486=90,140the atoms involved in each of the contacts you wish to calculateSWITCH486={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 mapWEIGHT486=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS487=90,142the atoms involved in each of the contacts you wish to calculateSWITCH487={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 mapWEIGHT487=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS488=90,145the atoms involved in each of the contacts you wish to calculateSWITCH488={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 mapWEIGHT488=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS489=90,148the atoms involved in each of the contacts you wish to calculateSWITCH489={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 mapWEIGHT489=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS490=90,153the atoms involved in each of the contacts you wish to calculateSWITCH490={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 mapWEIGHT490=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS491=90,155the atoms involved in each of the contacts you wish to calculateSWITCH491={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 mapWEIGHT491=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS492=90,2627the atoms involved in each of the contacts you wish to calculateSWITCH492={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 mapWEIGHT492=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS493=90,2757the atoms involved in each of the contacts you wish to calculateSWITCH493={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 mapWEIGHT493=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS494=91,138the atoms involved in each of the contacts you wish to calculateSWITCH494={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 mapWEIGHT494=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS495=91,140the atoms involved in each of the contacts you wish to calculateSWITCH495={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 mapWEIGHT495=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS496=91,142the atoms involved in each of the contacts you wish to calculateSWITCH496={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 mapWEIGHT496=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS497=91,145the atoms involved in each of the contacts you wish to calculateSWITCH497={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 mapWEIGHT497=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS498=91,148the atoms involved in each of the contacts you wish to calculateSWITCH498={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 mapWEIGHT498=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS499=91,149the atoms involved in each of the contacts you wish to calculateSWITCH499={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 mapWEIGHT499=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS500=91,153the atoms involved in each of the contacts you wish to calculateSWITCH500={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 mapWEIGHT500=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS501=91,154the atoms involved in each of the contacts you wish to calculateSWITCH501={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 mapWEIGHT501=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS502=91,155the atoms involved in each of the contacts you wish to calculateSWITCH502={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 mapWEIGHT502=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS503=91,2627the atoms involved in each of the contacts you wish to calculateSWITCH503={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 mapWEIGHT503=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS504=92,155the atoms involved in each of the contacts you wish to calculateSWITCH504={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 mapWEIGHT504=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS505=92,174the atoms involved in each of the contacts you wish to calculateSWITCH505={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 mapWEIGHT505=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS506=92,2757the atoms involved in each of the contacts you wish to calculateSWITCH506={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 mapWEIGHT506=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS507=94,155the atoms involved in each of the contacts you wish to calculateSWITCH507={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 mapWEIGHT507=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS508=94,157the atoms involved in each of the contacts you wish to calculateSWITCH508={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 mapWEIGHT508=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS509=94,159the atoms involved in each of the contacts you wish to calculateSWITCH509={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 mapWEIGHT509=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS510=94,168the atoms involved in each of the contacts you wish to calculateSWITCH510={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 mapWEIGHT510=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS511=94,170the atoms involved in each of the contacts you wish to calculateSWITCH511={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 mapWEIGHT511=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS512=94,171the atoms involved in each of the contacts you wish to calculateSWITCH512={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 mapWEIGHT512=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS513=94,174the atoms involved in each of the contacts you wish to calculateSWITCH513={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 mapWEIGHT513=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS514=96,155the atoms involved in each of the contacts you wish to calculateSWITCH514={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 mapWEIGHT514=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS515=96,159the atoms involved in each of the contacts you wish to calculateSWITCH515={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 mapWEIGHT515=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS516=96,168the atoms involved in each of the contacts you wish to calculateSWITCH516={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 mapWEIGHT516=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS517=96,170the atoms involved in each of the contacts you wish to calculateSWITCH517={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 mapWEIGHT517=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS518=96,171the atoms involved in each of the contacts you wish to calculateSWITCH518={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 mapWEIGHT518=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS519=96,174the atoms involved in each of the contacts you wish to calculateSWITCH519={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 mapWEIGHT519=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS520=96,2757the atoms involved in each of the contacts you wish to calculateSWITCH520={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 mapWEIGHT520=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS521=99,168the atoms involved in each of the contacts you wish to calculateSWITCH521={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 mapWEIGHT521=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS522=99,170the atoms involved in each of the contacts you wish to calculateSWITCH522={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 mapWEIGHT522=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS523=99,171the atoms involved in each of the contacts you wish to calculateSWITCH523={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 mapWEIGHT523=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS524=99,174the atoms involved in each of the contacts you wish to calculateSWITCH524={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 mapWEIGHT524=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS525=99,2754the atoms involved in each of the contacts you wish to calculateSWITCH525={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 mapWEIGHT525=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS526=99,2757the atoms involved in each of the contacts you wish to calculateSWITCH526={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 mapWEIGHT526=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS527=99,2760the atoms involved in each of the contacts you wish to calculateSWITCH527={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 mapWEIGHT527=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS528=102,159the atoms involved in each of the contacts you wish to calculateSWITCH528={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 mapWEIGHT528=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS529=102,165the atoms involved in each of the contacts you wish to calculateSWITCH529={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 mapWEIGHT529=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS530=102,168the atoms involved in each of the contacts you wish to calculateSWITCH530={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 mapWEIGHT530=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS531=102,170the atoms involved in each of the contacts you wish to calculateSWITCH531={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 mapWEIGHT531=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS532=102,171the atoms involved in each of the contacts you wish to calculateSWITCH532={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 mapWEIGHT532=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS533=102,174the atoms involved in each of the contacts you wish to calculateSWITCH533={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 mapWEIGHT533=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS534=102,2754the atoms involved in each of the contacts you wish to calculateSWITCH534={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 mapWEIGHT534=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS535=102,2757the atoms involved in each of the contacts you wish to calculateSWITCH535={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 mapWEIGHT535=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS536=102,2760the atoms involved in each of the contacts you wish to calculateSWITCH536={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 mapWEIGHT536=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS537=103,155the atoms involved in each of the contacts you wish to calculateSWITCH537={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 mapWEIGHT537=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS538=103,159the atoms involved in each of the contacts you wish to calculateSWITCH538={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 mapWEIGHT538=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS539=103,165the atoms involved in each of the contacts you wish to calculateSWITCH539={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 mapWEIGHT539=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS540=103,168the atoms involved in each of the contacts you wish to calculateSWITCH540={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 mapWEIGHT540=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS541=103,170the atoms involved in each of the contacts you wish to calculateSWITCH541={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 mapWEIGHT541=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS542=103,171the atoms involved in each of the contacts you wish to calculateSWITCH542={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 mapWEIGHT542=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS543=103,174the atoms involved in each of the contacts you wish to calculateSWITCH543={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 mapWEIGHT543=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS544=103,2754the atoms involved in each of the contacts you wish to calculateSWITCH544={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 mapWEIGHT544=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS545=103,2757the atoms involved in each of the contacts you wish to calculateSWITCH545={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 mapWEIGHT545=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS546=103,2760the atoms involved in each of the contacts you wish to calculateSWITCH546={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 mapWEIGHT546=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS547=104,165the atoms involved in each of the contacts you wish to calculateSWITCH547={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 mapWEIGHT547=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS548=104,168the atoms involved in each of the contacts you wish to calculateSWITCH548={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 mapWEIGHT548=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS549=104,170the atoms involved in each of the contacts you wish to calculateSWITCH549={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 mapWEIGHT549=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS550=104,171the atoms involved in each of the contacts you wish to calculateSWITCH550={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 mapWEIGHT550=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS551=104,174the atoms involved in each of the contacts you wish to calculateSWITCH551={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 mapWEIGHT551=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS552=104,2754the atoms involved in each of the contacts you wish to calculateSWITCH552={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 mapWEIGHT552=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS553=104,2757the atoms involved in each of the contacts you wish to calculateSWITCH553={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 mapWEIGHT553=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS554=104,2760the atoms involved in each of the contacts you wish to calculateSWITCH554={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 mapWEIGHT554=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS555=105,155the atoms involved in each of the contacts you wish to calculateSWITCH555={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 mapWEIGHT555=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS556=105,157the atoms involved in each of the contacts you wish to calculateSWITCH556={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 mapWEIGHT556=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS557=105,159the atoms involved in each of the contacts you wish to calculateSWITCH557={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 mapWEIGHT557=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS558=105,162the atoms involved in each of the contacts you wish to calculateSWITCH558={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 mapWEIGHT558=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS559=105,168the atoms involved in each of the contacts you wish to calculateSWITCH559={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 mapWEIGHT559=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS560=105,170the atoms involved in each of the contacts you wish to calculateSWITCH560={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 mapWEIGHT560=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS561=105,171the atoms involved in each of the contacts you wish to calculateSWITCH561={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 mapWEIGHT561=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS562=105,174the atoms involved in each of the contacts you wish to calculateSWITCH562={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 mapWEIGHT562=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS563=105,177the atoms involved in each of the contacts you wish to calculateSWITCH563={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 mapWEIGHT563=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS564=105,178the atoms involved in each of the contacts you wish to calculateSWITCH564={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 mapWEIGHT564=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS565=106,155the atoms involved in each of the contacts you wish to calculateSWITCH565={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 mapWEIGHT565=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS566=106,157the atoms involved in each of the contacts you wish to calculateSWITCH566={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 mapWEIGHT566=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS567=106,159the atoms involved in each of the contacts you wish to calculateSWITCH567={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 mapWEIGHT567=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS568=106,162the atoms involved in each of the contacts you wish to calculateSWITCH568={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 mapWEIGHT568=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS569=106,165the atoms involved in each of the contacts you wish to calculateSWITCH569={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 mapWEIGHT569=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS570=106,168the atoms involved in each of the contacts you wish to calculateSWITCH570={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 mapWEIGHT570=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS571=106,170the atoms involved in each of the contacts you wish to calculateSWITCH571={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 mapWEIGHT571=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS572=106,171the atoms involved in each of the contacts you wish to calculateSWITCH572={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 mapWEIGHT572=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS573=106,174the atoms involved in each of the contacts you wish to calculateSWITCH573={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 mapWEIGHT573=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS574=106,177the atoms involved in each of the contacts you wish to calculateSWITCH574={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 mapWEIGHT574=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS575=106,178the atoms involved in each of the contacts you wish to calculateSWITCH575={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 mapWEIGHT575=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS576=106,179the atoms involved in each of the contacts you wish to calculateSWITCH576={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 mapWEIGHT576=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS577=107,2489the atoms involved in each of the contacts you wish to calculateSWITCH577={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 mapWEIGHT577=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS578=107,2491the atoms involved in each of the contacts you wish to calculateSWITCH578={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 mapWEIGHT578=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS579=109,2468the atoms involved in each of the contacts you wish to calculateSWITCH579={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 mapWEIGHT579=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS580=109,2472the atoms involved in each of the contacts you wish to calculateSWITCH580={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 mapWEIGHT580=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS581=109,2487the atoms involved in each of the contacts you wish to calculateSWITCH581={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 mapWEIGHT581=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS582=109,2489the atoms involved in each of the contacts you wish to calculateSWITCH582={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 mapWEIGHT582=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS583=109,2491the atoms involved in each of the contacts you wish to calculateSWITCH583={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 mapWEIGHT583=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS584=111,2468the atoms involved in each of the contacts you wish to calculateSWITCH584={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 mapWEIGHT584=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS585=111,2472the atoms involved in each of the contacts you wish to calculateSWITCH585={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 mapWEIGHT585=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS586=111,2487the atoms involved in each of the contacts you wish to calculateSWITCH586={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 mapWEIGHT586=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS587=111,2489the atoms involved in each of the contacts you wish to calculateSWITCH587={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 mapWEIGHT587=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS588=111,2491the atoms involved in each of the contacts you wish to calculateSWITCH588={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 mapWEIGHT588=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS589=111,2493the atoms involved in each of the contacts you wish to calculateSWITCH589={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 mapWEIGHT589=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS590=114,2466the atoms involved in each of the contacts you wish to calculateSWITCH590={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 mapWEIGHT590=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS591=114,2468the atoms involved in each of the contacts you wish to calculateSWITCH591={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 mapWEIGHT591=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS592=114,2469the atoms involved in each of the contacts you wish to calculateSWITCH592={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 mapWEIGHT592=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS593=114,2472the atoms involved in each of the contacts you wish to calculateSWITCH593={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 mapWEIGHT593=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS594=114,2487the atoms involved in each of the contacts you wish to calculateSWITCH594={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 mapWEIGHT594=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS595=114,2489the atoms involved in each of the contacts you wish to calculateSWITCH595={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 mapWEIGHT595=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS596=114,2491the atoms involved in each of the contacts you wish to calculateSWITCH596={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 mapWEIGHT596=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS597=114,2493the atoms involved in each of the contacts you wish to calculateSWITCH597={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 mapWEIGHT597=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS598=115,2457the atoms involved in each of the contacts you wish to calculateSWITCH598={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 mapWEIGHT598=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS599=115,2460the atoms involved in each of the contacts you wish to calculateSWITCH599={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 mapWEIGHT599=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS600=115,2463the atoms involved in each of the contacts you wish to calculateSWITCH600={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 mapWEIGHT600=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS601=115,2466the atoms involved in each of the contacts you wish to calculateSWITCH601={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 mapWEIGHT601=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS602=115,2468the atoms involved in each of the contacts you wish to calculateSWITCH602={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 mapWEIGHT602=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS603=115,2469the atoms involved in each of the contacts you wish to calculateSWITCH603={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 mapWEIGHT603=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS604=115,2472the atoms involved in each of the contacts you wish to calculateSWITCH604={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 mapWEIGHT604=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS605=115,2476the atoms involved in each of the contacts you wish to calculateSWITCH605={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5981521606445312}The switching functions to use for each of the contacts in your mapWEIGHT605=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS606=115,2484the atoms involved in each of the contacts you wish to calculateSWITCH606={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 mapWEIGHT606=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS607=115,2485the atoms involved in each of the contacts you wish to calculateSWITCH607={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 mapWEIGHT607=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS608=115,2487the atoms involved in each of the contacts you wish to calculateSWITCH608={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 mapWEIGHT608=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS609=115,2489the atoms involved in each of the contacts you wish to calculateSWITCH609={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 mapWEIGHT609=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS610=115,2491the atoms involved in each of the contacts you wish to calculateSWITCH610={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 mapWEIGHT610=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS611=115,2493the atoms involved in each of the contacts you wish to calculateSWITCH611={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 mapWEIGHT611=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS612=116,2466the atoms involved in each of the contacts you wish to calculateSWITCH612={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 mapWEIGHT612=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS613=116,2468the atoms involved in each of the contacts you wish to calculateSWITCH613={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 mapWEIGHT613=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS614=116,2469the atoms involved in each of the contacts you wish to calculateSWITCH614={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 mapWEIGHT614=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS615=116,2472the atoms involved in each of the contacts you wish to calculateSWITCH615={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 mapWEIGHT615=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS616=116,2489the atoms involved in each of the contacts you wish to calculateSWITCH616={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 mapWEIGHT616=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS617=116,2491the atoms involved in each of the contacts you wish to calculateSWITCH617={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 mapWEIGHT617=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS618=117,2468the atoms involved in each of the contacts you wish to calculateSWITCH618={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 mapWEIGHT618=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS619=117,2469the atoms involved in each of the contacts you wish to calculateSWITCH619={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 mapWEIGHT619=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS620=117,2472the atoms involved in each of the contacts you wish to calculateSWITCH620={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 mapWEIGHT620=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS621=117,2487the atoms involved in each of the contacts you wish to calculateSWITCH621={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 mapWEIGHT621=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS622=117,2489the atoms involved in each of the contacts you wish to calculateSWITCH622={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 mapWEIGHT622=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS623=117,2491the atoms involved in each of the contacts you wish to calculateSWITCH623={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 mapWEIGHT623=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS624=118,2466the atoms involved in each of the contacts you wish to calculateSWITCH624={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 mapWEIGHT624=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS625=118,2468the atoms involved in each of the contacts you wish to calculateSWITCH625={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 mapWEIGHT625=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS626=118,2469the atoms involved in each of the contacts you wish to calculateSWITCH626={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 mapWEIGHT626=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS627=118,2472the atoms involved in each of the contacts you wish to calculateSWITCH627={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 mapWEIGHT627=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS628=118,2487the atoms involved in each of the contacts you wish to calculateSWITCH628={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 mapWEIGHT628=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS629=118,2489the atoms involved in each of the contacts you wish to calculateSWITCH629={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 mapWEIGHT629=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS630=118,2491the atoms involved in each of the contacts you wish to calculateSWITCH630={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 mapWEIGHT630=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS631=119,2468the atoms involved in each of the contacts you wish to calculateSWITCH631={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 mapWEIGHT631=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS632=119,2469the atoms involved in each of the contacts you wish to calculateSWITCH632={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 mapWEIGHT632=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS633=119,2472the atoms involved in each of the contacts you wish to calculateSWITCH633={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 mapWEIGHT633=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS634=119,2485the atoms involved in each of the contacts you wish to calculateSWITCH634={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 mapWEIGHT634=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS635=119,2487the atoms involved in each of the contacts you wish to calculateSWITCH635={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 mapWEIGHT635=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS636=119,2489the atoms involved in each of the contacts you wish to calculateSWITCH636={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 mapWEIGHT636=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS637=119,2491the atoms involved in each of the contacts you wish to calculateSWITCH637={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 mapWEIGHT637=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS638=121,2468the atoms involved in each of the contacts you wish to calculateSWITCH638={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 mapWEIGHT638=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS639=121,2469the atoms involved in each of the contacts you wish to calculateSWITCH639={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 mapWEIGHT639=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS640=121,2472the atoms involved in each of the contacts you wish to calculateSWITCH640={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 mapWEIGHT640=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS641=121,2485the atoms involved in each of the contacts you wish to calculateSWITCH641={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 mapWEIGHT641=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS642=121,2487the atoms involved in each of the contacts you wish to calculateSWITCH642={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 mapWEIGHT642=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS643=121,2489the atoms involved in each of the contacts you wish to calculateSWITCH643={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 mapWEIGHT643=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS644=121,2491the atoms involved in each of the contacts you wish to calculateSWITCH644={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 mapWEIGHT644=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS645=123,2472the atoms involved in each of the contacts you wish to calculateSWITCH645={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 mapWEIGHT645=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS646=123,2484the atoms involved in each of the contacts you wish to calculateSWITCH646={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 mapWEIGHT646=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS647=123,2485the atoms involved in each of the contacts you wish to calculateSWITCH647={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 mapWEIGHT647=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS648=123,2487the atoms involved in each of the contacts you wish to calculateSWITCH648={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 mapWEIGHT648=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS649=123,2489the atoms involved in each of the contacts you wish to calculateSWITCH649={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 mapWEIGHT649=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS650=123,2491the atoms involved in each of the contacts you wish to calculateSWITCH650={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 mapWEIGHT650=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS651=123,2493the atoms involved in each of the contacts you wish to calculateSWITCH651={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 mapWEIGHT651=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS652=123,2627the atoms involved in each of the contacts you wish to calculateSWITCH652={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 mapWEIGHT652=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS653=126,630the atoms involved in each of the contacts you wish to calculateSWITCH653={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 mapWEIGHT653=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS654=126,633the atoms involved in each of the contacts you wish to calculateSWITCH654={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 mapWEIGHT654=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS655=126,639the atoms involved in each of the contacts you wish to calculateSWITCH655={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 mapWEIGHT655=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS656=126,646the atoms involved in each of the contacts you wish to calculateSWITCH656={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 mapWEIGHT656=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS657=126,647the atoms involved in each of the contacts you wish to calculateSWITCH657={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 mapWEIGHT657=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS658=126,705the atoms involved in each of the contacts you wish to calculateSWITCH658={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 mapWEIGHT658=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS659=126,2485the atoms involved in each of the contacts you wish to calculateSWITCH659={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 mapWEIGHT659=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS660=126,2487the atoms involved in each of the contacts you wish to calculateSWITCH660={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 mapWEIGHT660=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS661=126,2489the atoms involved in each of the contacts you wish to calculateSWITCH661={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 mapWEIGHT661=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS662=128,630the atoms involved in each of the contacts you wish to calculateSWITCH662={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 mapWEIGHT662=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS663=128,636the atoms involved in each of the contacts you wish to calculateSWITCH663={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 mapWEIGHT663=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS664=128,639the atoms involved in each of the contacts you wish to calculateSWITCH664={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 mapWEIGHT664=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS665=128,642the atoms involved in each of the contacts you wish to calculateSWITCH665={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 mapWEIGHT665=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS666=128,647the atoms involved in each of the contacts you wish to calculateSWITCH666={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 mapWEIGHT666=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS667=128,705the atoms involved in each of the contacts you wish to calculateSWITCH667={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 mapWEIGHT667=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS668=128,2468the atoms involved in each of the contacts you wish to calculateSWITCH668={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 mapWEIGHT668=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS669=128,2469the atoms involved in each of the contacts you wish to calculateSWITCH669={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 mapWEIGHT669=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS670=128,2472the atoms involved in each of the contacts you wish to calculateSWITCH670={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 mapWEIGHT670=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS671=128,2484the atoms involved in each of the contacts you wish to calculateSWITCH671={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 mapWEIGHT671=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS672=128,2485the atoms involved in each of the contacts you wish to calculateSWITCH672={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 mapWEIGHT672=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS673=128,2487the atoms involved in each of the contacts you wish to calculateSWITCH673={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 mapWEIGHT673=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS674=128,2489the atoms involved in each of the contacts you wish to calculateSWITCH674={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 mapWEIGHT674=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS675=132,630the atoms involved in each of the contacts you wish to calculateSWITCH675={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 mapWEIGHT675=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS676=132,639the atoms involved in each of the contacts you wish to calculateSWITCH676={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 mapWEIGHT676=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS677=132,646the atoms involved in each of the contacts you wish to calculateSWITCH677={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 mapWEIGHT677=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS678=132,647the atoms involved in each of the contacts you wish to calculateSWITCH678={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 mapWEIGHT678=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS679=132,697the atoms involved in each of the contacts you wish to calculateSWITCH679={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 mapWEIGHT679=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS680=132,699the atoms involved in each of the contacts you wish to calculateSWITCH680={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 mapWEIGHT680=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS681=132,701the atoms involved in each of the contacts you wish to calculateSWITCH681={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 mapWEIGHT681=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS682=132,705the atoms involved in each of the contacts you wish to calculateSWITCH682={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 mapWEIGHT682=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS683=132,2484the atoms involved in each of the contacts you wish to calculateSWITCH683={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 mapWEIGHT683=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS684=132,2485the atoms involved in each of the contacts you wish to calculateSWITCH684={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 mapWEIGHT684=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS685=132,2487the atoms involved in each of the contacts you wish to calculateSWITCH685={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 mapWEIGHT685=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS686=132,2489the atoms involved in each of the contacts you wish to calculateSWITCH686={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 mapWEIGHT686=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS687=132,2579the atoms involved in each of the contacts you wish to calculateSWITCH687={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 mapWEIGHT687=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS688=132,2625the atoms involved in each of the contacts you wish to calculateSWITCH688={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 mapWEIGHT688=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS689=132,2627the atoms involved in each of the contacts you wish to calculateSWITCH689={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 mapWEIGHT689=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS690=132,2631the atoms involved in each of the contacts you wish to calculateSWITCH690={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 mapWEIGHT690=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS691=136,630the atoms involved in each of the contacts you wish to calculateSWITCH691={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 mapWEIGHT691=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS692=136,2472the atoms involved in each of the contacts you wish to calculateSWITCH692={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 mapWEIGHT692=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS693=136,2487the atoms involved in each of the contacts you wish to calculateSWITCH693={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 mapWEIGHT693=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS694=136,2489the atoms involved in each of the contacts you wish to calculateSWITCH694={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 mapWEIGHT694=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS695=137,630the atoms involved in each of the contacts you wish to calculateSWITCH695={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 mapWEIGHT695=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS696=137,633the atoms involved in each of the contacts you wish to calculateSWITCH696={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 mapWEIGHT696=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS697=137,636the atoms involved in each of the contacts you wish to calculateSWITCH697={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 mapWEIGHT697=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS698=137,639the atoms involved in each of the contacts you wish to calculateSWITCH698={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 mapWEIGHT698=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS699=140,584the atoms involved in each of the contacts you wish to calculateSWITCH699={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 mapWEIGHT699=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS700=140,588the atoms involved in each of the contacts you wish to calculateSWITCH700={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 mapWEIGHT700=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS701=140,592the atoms involved in each of the contacts you wish to calculateSWITCH701={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 mapWEIGHT701=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS702=140,630the atoms involved in each of the contacts you wish to calculateSWITCH702={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 mapWEIGHT702=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS703=140,633the atoms involved in each of the contacts you wish to calculateSWITCH703={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 mapWEIGHT703=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS704=142,584the atoms involved in each of the contacts you wish to calculateSWITCH704={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 mapWEIGHT704=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS705=142,586the atoms involved in each of the contacts you wish to calculateSWITCH705={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 mapWEIGHT705=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS706=142,588the atoms involved in each of the contacts you wish to calculateSWITCH706={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 mapWEIGHT706=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS707=142,592the atoms involved in each of the contacts you wish to calculateSWITCH707={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 mapWEIGHT707=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS708=142,595the atoms involved in each of the contacts you wish to calculateSWITCH708={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 mapWEIGHT708=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS709=145,584the atoms involved in each of the contacts you wish to calculateSWITCH709={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 mapWEIGHT709=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS710=145,586the atoms involved in each of the contacts you wish to calculateSWITCH710={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 mapWEIGHT710=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS711=145,588the atoms involved in each of the contacts you wish to calculateSWITCH711={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 mapWEIGHT711=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS712=145,592the atoms involved in each of the contacts you wish to calculateSWITCH712={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 mapWEIGHT712=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS713=145,594the atoms involved in each of the contacts you wish to calculateSWITCH713={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 mapWEIGHT713=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS714=145,595the atoms involved in each of the contacts you wish to calculateSWITCH714={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 mapWEIGHT714=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS715=145,630the atoms involved in each of the contacts you wish to calculateSWITCH715={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 mapWEIGHT715=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS716=145,652the atoms involved in each of the contacts you wish to calculateSWITCH716={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 mapWEIGHT716=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS717=148,580the atoms involved in each of the contacts you wish to calculateSWITCH717={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 mapWEIGHT717=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS718=148,581the atoms involved in each of the contacts you wish to calculateSWITCH718={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 mapWEIGHT718=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS719=148,582the atoms involved in each of the contacts you wish to calculateSWITCH719={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 mapWEIGHT719=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS720=148,584the atoms involved in each of the contacts you wish to calculateSWITCH720={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 mapWEIGHT720=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS721=148,586the atoms involved in each of the contacts you wish to calculateSWITCH721={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 mapWEIGHT721=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS722=148,588the atoms involved in each of the contacts you wish to calculateSWITCH722={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 mapWEIGHT722=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS723=148,592the atoms involved in each of the contacts you wish to calculateSWITCH723={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 mapWEIGHT723=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS724=148,594the atoms involved in each of the contacts you wish to calculateSWITCH724={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 mapWEIGHT724=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS725=148,595the atoms involved in each of the contacts you wish to calculateSWITCH725={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 mapWEIGHT725=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS726=148,596the atoms involved in each of the contacts you wish to calculateSWITCH726={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 mapWEIGHT726=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS727=148,626the atoms involved in each of the contacts you wish to calculateSWITCH727={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 mapWEIGHT727=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS728=148,628the atoms involved in each of the contacts you wish to calculateSWITCH728={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 mapWEIGHT728=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS729=148,630the atoms involved in each of the contacts you wish to calculateSWITCH729={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 mapWEIGHT729=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS730=148,633the atoms involved in each of the contacts you wish to calculateSWITCH730={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 mapWEIGHT730=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS731=148,639the atoms involved in each of the contacts you wish to calculateSWITCH731={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 mapWEIGHT731=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS732=148,646the atoms involved in each of the contacts you wish to calculateSWITCH732={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 mapWEIGHT732=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS733=148,647the atoms involved in each of the contacts you wish to calculateSWITCH733={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 mapWEIGHT733=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS734=148,648the atoms involved in each of the contacts you wish to calculateSWITCH734={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 mapWEIGHT734=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS735=148,650the atoms involved in each of the contacts you wish to calculateSWITCH735={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 mapWEIGHT735=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS736=148,652the atoms involved in each of the contacts you wish to calculateSWITCH736={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 mapWEIGHT736=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS737=148,655the atoms involved in each of the contacts you wish to calculateSWITCH737={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 mapWEIGHT737=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS738=148,656the atoms involved in each of the contacts you wish to calculateSWITCH738={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 mapWEIGHT738=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS739=148,705the atoms involved in each of the contacts you wish to calculateSWITCH739={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 mapWEIGHT739=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS740=149,584the atoms involved in each of the contacts you wish to calculateSWITCH740={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 mapWEIGHT740=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS741=149,588the atoms involved in each of the contacts you wish to calculateSWITCH741={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 mapWEIGHT741=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS742=149,594the atoms involved in each of the contacts you wish to calculateSWITCH742={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 mapWEIGHT742=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS743=149,595the atoms involved in each of the contacts you wish to calculateSWITCH743={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 mapWEIGHT743=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS744=149,626the atoms involved in each of the contacts you wish to calculateSWITCH744={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 mapWEIGHT744=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS745=149,628the atoms involved in each of the contacts you wish to calculateSWITCH745={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 mapWEIGHT745=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS746=149,630the atoms involved in each of the contacts you wish to calculateSWITCH746={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 mapWEIGHT746=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS747=149,633the atoms involved in each of the contacts you wish to calculateSWITCH747={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 mapWEIGHT747=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS748=149,646the atoms involved in each of the contacts you wish to calculateSWITCH748={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 mapWEIGHT748=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS749=149,647the atoms involved in each of the contacts you wish to calculateSWITCH749={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 mapWEIGHT749=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS750=149,648the atoms involved in each of the contacts you wish to calculateSWITCH750={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 mapWEIGHT750=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS751=149,650the atoms involved in each of the contacts you wish to calculateSWITCH751={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 mapWEIGHT751=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS752=149,652the atoms involved in each of the contacts you wish to calculateSWITCH752={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 mapWEIGHT752=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS753=149,655the atoms involved in each of the contacts you wish to calculateSWITCH753={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 mapWEIGHT753=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS754=149,656the atoms involved in each of the contacts you wish to calculateSWITCH754={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 mapWEIGHT754=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS755=149,658the atoms involved in each of the contacts you wish to calculateSWITCH755={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 mapWEIGHT755=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS756=149,667the atoms involved in each of the contacts you wish to calculateSWITCH756={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 mapWEIGHT756=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS757=149,668the atoms involved in each of the contacts you wish to calculateSWITCH757={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 mapWEIGHT757=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS758=149,699the atoms involved in each of the contacts you wish to calculateSWITCH758={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 mapWEIGHT758=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS759=149,701the atoms involved in each of the contacts you wish to calculateSWITCH759={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 mapWEIGHT759=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS760=149,705the atoms involved in each of the contacts you wish to calculateSWITCH760={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 mapWEIGHT760=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS761=149,2625the atoms involved in each of the contacts you wish to calculateSWITCH761={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 mapWEIGHT761=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS762=149,2627the atoms involved in each of the contacts you wish to calculateSWITCH762={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 mapWEIGHT762=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS763=149,2631the atoms involved in each of the contacts you wish to calculateSWITCH763={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 mapWEIGHT763=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS764=153,526the atoms involved in each of the contacts you wish to calculateSWITCH764={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5867559909820557}The switching functions to use for each of the contacts in your mapWEIGHT764=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS765=153,592the atoms involved in each of the contacts you wish to calculateSWITCH765={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 mapWEIGHT765=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS766=154,524the atoms involved in each of the contacts you wish to calculateSWITCH766={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.577567994594574}The switching functions to use for each of the contacts in your mapWEIGHT766=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS767=154,525the atoms involved in each of the contacts you wish to calculateSWITCH767={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5767742991447449}The switching functions to use for each of the contacts in your mapWEIGHT767=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS768=154,526the atoms involved in each of the contacts you wish to calculateSWITCH768={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.49007007479667664}The switching functions to use for each of the contacts in your mapWEIGHT768=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS769=154,572the atoms involved in each of the contacts you wish to calculateSWITCH769={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5978250503540039}The switching functions to use for each of the contacts in your mapWEIGHT769=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS770=154,577the atoms involved in each of the contacts you wish to calculateSWITCH770={Q R_0=0.01 BETA=50.0 LAMBDA=2. REF=0.5662272572517395}The switching functions to use for each of the contacts in your mapWEIGHT770=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS771=154,581the atoms involved in each of the contacts you wish to calculateSWITCH771={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 mapWEIGHT771=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS772=154,584the atoms involved in each of the contacts you wish to calculateSWITCH772={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 mapWEIGHT772=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS773=154,586the atoms involved in each of the contacts you wish to calculateSWITCH773={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 mapWEIGHT773=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS774=154,588the atoms involved in each of the contacts you wish to calculateSWITCH774={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 mapWEIGHT774=0.0012903225806451613A weight value for a given contact, by default is 1ATOMS775=154,592the atoms involved in each of the contacts you wish to calculateSWITCH775={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 mapWEIGHT775=0.0012903225806451613A weight value for a given contact, by default is 1LABEL=qa 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 actionsMETAD...Used to performed metadynamics on one or more collective variables. More detailsLABEL=metada label for the action so that its output can be referenced in the input to other actionsARG=q,abthe input for this action is the scalar output from one or more other actionsPACE=100000000the frequency for hill additionHEIGHT=1the heights of the Gaussian hillsBIASFACTOR=10use well tempered metadynamics and use this bias factorSIGMA=0.02,0.1the widths of the Gaussian hillsGRID_MIN=0.,0the lower bounds for the gridGRID_MAX=1.,16the upper bounds for the gridFILE=HILLSa file in which the list of added hills is storedTEMP=300 ...the 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=q,ab,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