Project ID: plumID:22.012
Source: Ayala_et_al_2022_PLUMED/plumed_DNAJB1_wt.dat
Originally used with PLUMED version: 2.6
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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###ATOMS of DNAJB1 CHAIN B, predicted to be involved in binding###
V238:CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4305-4320 L239:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4321-4339 K240:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4340-4361 D241:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4362-4373 K242:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4374-4395 P243:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4396-4409 H244:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4410-4426 N245:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4427-4440 I246:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4441-4459 F247:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4460-4479 K248:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4480-4501 R249:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4502-4525the group of atoms that you are calculating the Gyration Tensor for
###ATOMS of DNAJB1 CHAIN B, predicted to be involved in binding###
D167:CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3150-3161 L168:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3162-3180 R169:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3181-3204 V170:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3205-3220 S171:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3221-3231 L172:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3232-3250 E173:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3251-3265 E174:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3266-3280 I175:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3281-3299 E214:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3944-3958 G215:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3959-3965 T216:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3966-3979 P274:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4878-4891 L276:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4906-4924the group of atoms that you are calculating the Gyration Tensor forCONTACTMAP...Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More detailsATOMS1=V238,D167the atoms involved in each of the contacts you wish to calculateATOMS2=L239,D167the atoms involved in each of the contacts you wish to calculateATOMS3=K240,D167the atoms involved in each of the contacts you wish to calculateATOMS4=D241,D167the atoms involved in each of the contacts you wish to calculateATOMS5=K242,D167the atoms involved in each of the contacts you wish to calculateATOMS6=P243,D167the atoms involved in each of the contacts you wish to calculateATOMS7=H244,D167the atoms involved in each of the contacts you wish to calculateATOMS8=N245,D167the atoms involved in each of the contacts you wish to calculateATOMS9=I246,D167the atoms involved in each of the contacts you wish to calculateATOMS10=F247,D167the atoms involved in each of the contacts you wish to calculateATOMS11=K248,D167the atoms involved in each of the contacts you wish to calculateATOMS12=R249,D167the atoms involved in each of the contacts you wish to calculateATOMS13=V238,L168the atoms involved in each of the contacts you wish to calculateATOMS14=L239,L168the atoms involved in each of the contacts you wish to calculateATOMS15=K240,L168the atoms involved in each of the contacts you wish to calculateATOMS16=D241,L168the atoms involved in each of the contacts you wish to calculateATOMS17=K242,L168the atoms involved in each of the contacts you wish to calculateATOMS18=P243,L168the atoms involved in each of the contacts you wish to calculateATOMS19=H244,L168the atoms involved in each of the contacts you wish to calculateATOMS20=N245,L168the atoms involved in each of the contacts you wish to calculateATOMS21=I246,L168the atoms involved in each of the contacts you wish to calculateATOMS22=F247,L168the atoms involved in each of the contacts you wish to calculateATOMS23=K248,L168the atoms involved in each of the contacts you wish to calculateATOMS24=R249,L168the atoms involved in each of the contacts you wish to calculateATOMS25=V238,R169the atoms involved in each of the contacts you wish to calculateATOMS26=L239,R169the atoms involved in each of the contacts you wish to calculateATOMS27=K240,R169the atoms involved in each of the contacts you wish to calculateATOMS28=D241,R169the atoms involved in each of the contacts you wish to calculateATOMS29=K242,R169the atoms involved in each of the contacts you wish to calculateATOMS30=P243,R169the atoms involved in each of the contacts you wish to calculateATOMS31=H244,R169the atoms involved in each of the contacts you wish to calculateATOMS32=N245,R169the atoms involved in each of the contacts you wish to calculateATOMS33=I246,R169the atoms involved in each of the contacts you wish to calculateATOMS34=F247,R169the atoms involved in each of the contacts you wish to calculateATOMS35=K248,R169the atoms involved in each of the contacts you wish to calculateATOMS36=R249,R169the atoms involved in each of the contacts you wish to calculateATOMS37=V238,V170the atoms involved in each of the contacts you wish to calculateATOMS38=L239,V170the atoms involved in each of the contacts you wish to calculateATOMS39=K240,V170the atoms involved in each of the contacts you wish to calculateATOMS40=D241,V170the atoms involved in each of the contacts you wish to calculateATOMS41=K242,V170the atoms involved in each of the contacts you wish to calculateATOMS42=P243,V170the atoms involved in each of the contacts you wish to calculateATOMS43=H244,V170the atoms involved in each of the contacts you wish to calculateATOMS44=N245,V170the atoms involved in each of the contacts you wish to calculateATOMS45=I246,V170the atoms involved in each of the contacts you wish to calculateATOMS46=F247,V170the atoms involved in each of the contacts you wish to calculateATOMS47=K248,V170the atoms involved in each of the contacts you wish to calculateATOMS48=R249,V170the atoms involved in each of the contacts you wish to calculateATOMS49=V238,S171the atoms involved in each of the contacts you wish to calculateATOMS50=L239,S171the atoms involved in each of the contacts you wish to calculateATOMS51=K240,S171the atoms involved in each of the contacts you wish to calculateATOMS52=D241,S171the atoms involved in each of the contacts you wish to calculateATOMS53=K242,S171the atoms involved in each of the contacts you wish to calculateATOMS54=P243,S171the atoms involved in each of the contacts you wish to calculateATOMS55=H244,S171the atoms involved in each of the contacts you wish to calculateATOMS56=N245,S171the atoms involved in each of the contacts you wish to calculateATOMS57=I246,S171the atoms involved in each of the contacts you wish to calculateATOMS58=F247,S171the atoms involved in each of the contacts you wish to calculateATOMS59=K248,S171the atoms involved in each of the contacts you wish to calculateATOMS60=R249,S171the atoms involved in each of the contacts you wish to calculateATOMS61=V238,L172the atoms involved in each of the contacts you wish to calculateATOMS62=L239,L172the atoms involved in each of the contacts you wish to calculateATOMS63=K240,L172the atoms involved in each of the contacts you wish to calculateATOMS64=D241,L172the atoms involved in each of the contacts you wish to calculateATOMS65=K242,L172the atoms involved in each of the contacts you wish to calculateATOMS66=P243,L172the atoms involved in each of the contacts you wish to calculateATOMS67=H244,L172the atoms involved in each of the contacts you wish to calculateATOMS68=N245,L172the atoms involved in each of the contacts you wish to calculateATOMS69=I246,L172the atoms involved in each of the contacts you wish to calculateATOMS70=F247,L172the atoms involved in each of the contacts you wish to calculateATOMS71=K248,L172the atoms involved in each of the contacts you wish to calculateATOMS72=R249,L172the atoms involved in each of the contacts you wish to calculateATOMS73=V238,E173the atoms involved in each of the contacts you wish to calculateATOMS74=L239,E173the atoms involved in each of the contacts you wish to calculateATOMS75=K240,E173the atoms involved in each of the contacts you wish to calculateATOMS76=D241,E173the atoms involved in each of the contacts you wish to calculateATOMS77=K242,E173the atoms involved in each of the contacts you wish to calculateATOMS78=P243,E173the atoms involved in each of the contacts you wish to calculateATOMS79=H244,E173the atoms involved in each of the contacts you wish to calculateATOMS80=N245,E173the atoms involved in each of the contacts you wish to calculateATOMS81=I246,E173the atoms involved in each of the contacts you wish to calculateATOMS82=F247,E173the atoms involved in each of the contacts you wish to calculateATOMS83=K248,E173the atoms involved in each of the contacts you wish to calculateATOMS84=R249,E173the atoms involved in each of the contacts you wish to calculateATOMS85=V238,E174the atoms involved in each of the contacts you wish to calculateATOMS86=L239,E174the atoms involved in each of the contacts you wish to calculateATOMS87=K240,E174the atoms involved in each of the contacts you wish to calculateATOMS88=D241,E174the atoms involved in each of the contacts you wish to calculateATOMS89=K242,E174the atoms involved in each of the contacts you wish to calculateATOMS90=P243,E174the atoms involved in each of the contacts you wish to calculateATOMS91=H244,E174the atoms involved in each of the contacts you wish to calculateATOMS92=N245,E174the atoms involved in each of the contacts you wish to calculateATOMS93=I246,E174the atoms involved in each of the contacts you wish to calculateATOMS94=F247,E174the atoms involved in each of the contacts you wish to calculateATOMS95=K248,E174the atoms involved in each of the contacts you wish to calculateATOMS96=R249,E174the atoms involved in each of the contacts you wish to calculateATOMS97=V238,I175the atoms involved in each of the contacts you wish to calculateATOMS98=L239,I175the atoms involved in each of the contacts you wish to calculateATOMS99=K240,I175the atoms involved in each of the contacts you wish to calculateATOMS100=D241,I175the atoms involved in each of the contacts you wish to calculateATOMS101=K242,I175the atoms involved in each of the contacts you wish to calculateATOMS102=P243,I175the atoms involved in each of the contacts you wish to calculateATOMS103=H244,I175the atoms involved in each of the contacts you wish to calculateATOMS104=N245,I175the atoms involved in each of the contacts you wish to calculateATOMS105=I246,I175the atoms involved in each of the contacts you wish to calculateATOMS106=F247,I175the atoms involved in each of the contacts you wish to calculateATOMS107=K248,I175the atoms involved in each of the contacts you wish to calculateATOMS108=R249,I175the atoms involved in each of the contacts you wish to calculateATOMS109=V238,E214the atoms involved in each of the contacts you wish to calculateATOMS110=L239,E214the atoms involved in each of the contacts you wish to calculateATOMS111=K240,E214the atoms involved in each of the contacts you wish to calculateATOMS112=D241,E214the atoms involved in each of the contacts you wish to calculateATOMS113=K242,E214the atoms involved in each of the contacts you wish to calculateATOMS114=P243,E214the atoms involved in each of the contacts you wish to calculateATOMS115=H244,E214the atoms involved in each of the contacts you wish to calculateATOMS116=N245,E214the atoms involved in each of the contacts you wish to calculateATOMS117=I246,E214the atoms involved in each of the contacts you wish to calculateATOMS118=F247,E214the atoms involved in each of the contacts you wish to calculateATOMS119=K248,E214the atoms involved in each of the contacts you wish to calculateATOMS120=R249,E214the atoms involved in each of the contacts you wish to calculateATOMS121=V238,G215the atoms involved in each of the contacts you wish to calculateATOMS122=L239,G215the atoms involved in each of the contacts you wish to calculateATOMS123=K240,G215the atoms involved in each of the contacts you wish to calculateATOMS124=D241,G215the atoms involved in each of the contacts you wish to calculateATOMS125=K242,G215the atoms involved in each of the contacts you wish to calculateATOMS126=P243,G215the atoms involved in each of the contacts you wish to calculateATOMS127=H244,G215the atoms involved in each of the contacts you wish to calculateATOMS128=N245,G215the atoms involved in each of the contacts you wish to calculateATOMS129=I246,G215the atoms involved in each of the contacts you wish to calculateATOMS130=F247,G215the atoms involved in each of the contacts you wish to calculateATOMS131=K248,G215the atoms involved in each of the contacts you wish to calculateATOMS132=R249,G215the atoms involved in each of the contacts you wish to calculateATOMS133=V238,T216the atoms involved in each of the contacts you wish to calculateATOMS134=L239,T216the atoms involved in each of the contacts you wish to calculateATOMS135=K240,T216the atoms involved in each of the contacts you wish to calculateATOMS136=D241,T216the atoms involved in each of the contacts you wish to calculateATOMS137=K242,T216the atoms involved in each of the contacts you wish to calculateATOMS138=P243,T216the atoms involved in each of the contacts you wish to calculateATOMS139=H244,T216the atoms involved in each of the contacts you wish to calculateATOMS140=N245,T216the atoms involved in each of the contacts you wish to calculateATOMS141=I246,T216the atoms involved in each of the contacts you wish to calculateATOMS142=F247,T216the atoms involved in each of the contacts you wish to calculateATOMS143=K248,T216the atoms involved in each of the contacts you wish to calculateATOMS144=R249,T216the atoms involved in each of the contacts you wish to calculateATOMS145=V238,P274the atoms involved in each of the contacts you wish to calculateATOMS146=L239,P274the atoms involved in each of the contacts you wish to calculateATOMS147=K240,P274the atoms involved in each of the contacts you wish to calculateATOMS148=D241,P274the atoms involved in each of the contacts you wish to calculateATOMS149=K242,P274the atoms involved in each of the contacts you wish to calculateATOMS150=P243,P274the atoms involved in each of the contacts you wish to calculateATOMS151=H244,P274the atoms involved in each of the contacts you wish to calculateATOMS152=N245,P274the atoms involved in each of the contacts you wish to calculateATOMS153=I246,P274the atoms involved in each of the contacts you wish to calculateATOMS154=F247,P274the atoms involved in each of the contacts you wish to calculateATOMS155=K248,P274the atoms involved in each of the contacts you wish to calculateATOMS156=R249,P274the atoms involved in each of the contacts you wish to calculateATOMS157=V238,L276the atoms involved in each of the contacts you wish to calculateATOMS158=L239,L276the atoms involved in each of the contacts you wish to calculateATOMS159=K240,L276the atoms involved in each of the contacts you wish to calculateATOMS160=D241,L276the atoms involved in each of the contacts you wish to calculateATOMS161=K242,L276the atoms involved in each of the contacts you wish to calculateATOMS162=P243,L276the atoms involved in each of the contacts you wish to calculateATOMS163=H244,L276the atoms involved in each of the contacts you wish to calculateATOMS164=N245,L276the atoms involved in each of the contacts you wish to calculateATOMS165=I246,L276the atoms involved in each of the contacts you wish to calculateATOMS166=F247,L276the atoms involved in each of the contacts you wish to calculateATOMS167=K248,L276the atoms involved in each of the contacts you wish to calculateATOMS168=R249,L276the atoms involved in each of the contacts you wish to calculateATOMS169=V238,V238the atoms involved in each of the contacts you wish to calculateATOMS170=L239,V238the atoms involved in each of the contacts you wish to calculateATOMS171=K240,V238the atoms involved in each of the contacts you wish to calculateATOMS172=D241,V238the atoms involved in each of the contacts you wish to calculateATOMS173=K242,V238the atoms involved in each of the contacts you wish to calculateATOMS174=P243,V238the atoms involved in each of the contacts you wish to calculateATOMS175=H244,V238the atoms involved in each of the contacts you wish to calculateATOMS176=N245,V238the atoms involved in each of the contacts you wish to calculateATOMS177=I246,V238the atoms involved in each of the contacts you wish to calculateATOMS178=F247,V238the atoms involved in each of the contacts you wish to calculateATOMS179=K248,V238the atoms involved in each of the contacts you wish to calculateATOMS180=R249,V238the atoms involved in each of the contacts you wish to calculateATOMS181=V238,L239the atoms involved in each of the contacts you wish to calculateATOMS182=L239,L239the atoms involved in each of the contacts you wish to calculateATOMS183=K240,L239the atoms involved in each of the contacts you wish to calculateATOMS184=D241,L239the atoms involved in each of the contacts you wish to calculateATOMS185=K242,L239the atoms involved in each of the contacts you wish to calculateATOMS186=P243,L239the atoms involved in each of the contacts you wish to calculateATOMS187=H244,L239the atoms involved in each of the contacts you wish to calculateATOMS188=N245,L239the atoms involved in each of the contacts you wish to calculateATOMS189=I246,L239the atoms involved in each of the contacts you wish to calculateATOMS190=F247,L239the atoms involved in each of the contacts you wish to calculateATOMS191=K248,L239the atoms involved in each of the contacts you wish to calculateATOMS192=R249,L239the atoms involved in each of the contacts you wish to calculateATOMS193=V238,K240the atoms involved in each of the contacts you wish to calculateATOMS194=L239,K240the atoms involved in each of the contacts you wish to calculateATOMS195=K240,K240the atoms involved in each of the contacts you wish to calculateATOMS196=D241,K240the atoms involved in each of the contacts you wish to calculateATOMS197=K242,K240the atoms involved in each of the contacts you wish to calculateATOMS198=P243,K240the atoms involved in each of the contacts you wish to calculateATOMS199=H244,K240the atoms involved in each of the contacts you wish to calculateATOMS200=N245,K240the atoms involved in each of the contacts you wish to calculateATOMS201=I246,K240the atoms involved in each of the contacts you wish to calculateATOMS202=F247,K240the atoms involved in each of the contacts you wish to calculateATOMS203=K248,K240the atoms involved in each of the contacts you wish to calculateATOMS204=R249,K240the atoms involved in each of the contacts you wish to calculateATOMS205=V238,D241the atoms involved in each of the contacts you wish to calculateATOMS206=L239,D241the atoms involved in each of the contacts you wish to calculateATOMS207=K240,D241the atoms involved in each of the contacts you wish to calculateATOMS208=D241,D241the atoms involved in each of the contacts you wish to calculateATOMS209=K242,D241the atoms involved in each of the contacts you wish to calculateATOMS210=P243,D241the atoms involved in each of the contacts you wish to calculateATOMS211=H244,D241the atoms involved in each of the contacts you wish to calculateATOMS212=N245,D241the atoms involved in each of the contacts you wish to calculateATOMS213=I246,D241the atoms involved in each of the contacts you wish to calculateATOMS214=F247,D241the atoms involved in each of the contacts you wish to calculateATOMS215=K248,D241the atoms involved in each of the contacts you wish to calculateATOMS216=R249,D241the atoms involved in each of the contacts you wish to calculateATOMS217=V238,K242the atoms involved in each of the contacts you wish to calculateATOMS218=L239,K242the atoms involved in each of the contacts you wish to calculateATOMS219=K240,K242the atoms involved in each of the contacts you wish to calculateATOMS220=D241,K242the atoms involved in each of the contacts you wish to calculateATOMS221=K242,K242the atoms involved in each of the contacts you wish to calculateATOMS222=P243,K242the atoms involved in each of the contacts you wish to calculateATOMS223=H244,K242the atoms involved in each of the contacts you wish to calculateATOMS224=N245,K242the atoms involved in each of the contacts you wish to calculateATOMS225=I246,K242the atoms involved in each of the contacts you wish to calculateATOMS226=F247,K242the atoms involved in each of the contacts you wish to calculateATOMS227=K248,K242the atoms involved in each of the contacts you wish to calculateATOMS228=R249,K242the atoms involved in each of the contacts you wish to calculateATOMS229=V238,P243the atoms involved in each of the contacts you wish to calculateATOMS230=L239,P243the atoms involved in each of the contacts you wish to calculateATOMS231=K240,P243the atoms involved in each of the contacts you wish to calculateATOMS232=D241,P243the atoms involved in each of the contacts you wish to calculateATOMS233=K242,P243the atoms involved in each of the contacts you wish to calculateATOMS234=P243,P243the atoms involved in each of the contacts you wish to calculateATOMS235=H244,P243the atoms involved in each of the contacts you wish to calculateATOMS236=N245,P243the atoms involved in each of the contacts you wish to calculateATOMS237=I246,P243the atoms involved in each of the contacts you wish to calculateATOMS238=F247,P243the atoms involved in each of the contacts you wish to calculateATOMS239=K248,P243the atoms involved in each of the contacts you wish to calculateATOMS240=R249,P243the atoms involved in each of the contacts you wish to calculateATOMS241=V238,H244the atoms involved in each of the contacts you wish to calculateATOMS242=L239,H244the atoms involved in each of the contacts you wish to calculateATOMS243=K240,H244the atoms involved in each of the contacts you wish to calculateATOMS244=D241,H244the atoms involved in each of the contacts you wish to calculateATOMS245=K242,H244the atoms involved in each of the contacts you wish to calculateATOMS246=P243,H244the atoms involved in each of the contacts you wish to calculateATOMS247=H244,H244the atoms involved in each of the contacts you wish to calculateATOMS248=N245,H244the atoms involved in each of the contacts you wish to calculateATOMS249=I246,H244the atoms involved in each of the contacts you wish to calculateATOMS250=F247,H244the atoms involved in each of the contacts you wish to calculateATOMS251=K248,H244the atoms involved in each of the contacts you wish to calculateATOMS252=R249,H244the atoms involved in each of the contacts you wish to calculateATOMS253=V238,N245the atoms involved in each of the contacts you wish to calculateATOMS254=L239,N245the atoms involved in each of the contacts you wish to calculateATOMS255=K240,N245the atoms involved in each of the contacts you wish to calculateATOMS256=D241,N245the atoms involved in each of the contacts you wish to calculateATOMS257=K242,N245the atoms involved in each of the contacts you wish to calculateATOMS258=P243,N245the atoms involved in each of the contacts you wish to calculateATOMS259=H244,N245the atoms involved in each of the contacts you wish to calculateATOMS260=N245,N245the atoms involved in each of the contacts you wish to calculateATOMS261=I246,N245the atoms involved in each of the contacts you wish to calculateATOMS262=F247,N245the atoms involved in each of the contacts you wish to calculateATOMS263=K248,N245the atoms involved in each of the contacts you wish to calculateATOMS264=R249,N245the atoms involved in each of the contacts you wish to calculateATOMS265=V238,I246the atoms involved in each of the contacts you wish to calculateATOMS266=L239,I246the atoms involved in each of the contacts you wish to calculateATOMS267=K240,I246the atoms involved in each of the contacts you wish to calculateATOMS268=D241,I246the atoms involved in each of the contacts you wish to calculateATOMS269=K242,I246the atoms involved in each of the contacts you wish to calculateATOMS270=P243,I246the atoms involved in each of the contacts you wish to calculateATOMS271=H244,I246the atoms involved in each of the contacts you wish to calculateATOMS272=N245,I246the atoms involved in each of the contacts you wish to calculateATOMS273=I246,I246the atoms involved in each of the contacts you wish to calculateATOMS274=F247,I246the atoms involved in each of the contacts you wish to calculateATOMS275=K248,I246the atoms involved in each of the contacts you wish to calculateATOMS276=R249,I246the atoms involved in each of the contacts you wish to calculateATOMS277=V238,F247the atoms involved in each of the contacts you wish to calculateATOMS278=L239,F247the atoms involved in each of the contacts you wish to calculateATOMS279=K240,F247the atoms involved in each of the contacts you wish to calculateATOMS280=D241,F247the atoms involved in each of the contacts you wish to calculateATOMS281=K242,F247the atoms involved in each of the contacts you wish to calculateATOMS282=P243,F247the atoms involved in each of the contacts you wish to calculateATOMS283=H244,F247the atoms involved in each of the contacts you wish to calculateATOMS284=N245,F247the atoms involved in each of the contacts you wish to calculateATOMS285=I246,F247the atoms involved in each of the contacts you wish to calculateATOMS286=F247,F247the atoms involved in each of the contacts you wish to calculateATOMS287=K248,F247the atoms involved in each of the contacts you wish to calculateATOMS288=R249,F247the atoms involved in each of the contacts you wish to calculateATOMS289=V238,K248the atoms involved in each of the contacts you wish to calculateATOMS290=L239,K248the atoms involved in each of the contacts you wish to calculateATOMS291=K240,K248the atoms involved in each of the contacts you wish to calculateATOMS292=D241,K248the atoms involved in each of the contacts you wish to calculateATOMS293=K242,K248the atoms involved in each of the contacts you wish to calculateATOMS294=P243,K248the atoms involved in each of the contacts you wish to calculateATOMS295=H244,K248the atoms involved in each of the contacts you wish to calculateATOMS296=N245,K248the atoms involved in each of the contacts you wish to calculateATOMS297=I246,K248the atoms involved in each of the contacts you wish to calculateATOMS298=F247,K248the atoms involved in each of the contacts you wish to calculateATOMS299=K248,K248the atoms involved in each of the contacts you wish to calculateATOMS300=R249,K248the atoms involved in each of the contacts you wish to calculateATOMS301=V238,R249the atoms involved in each of the contacts you wish to calculateATOMS302=L239,R249the atoms involved in each of the contacts you wish to calculateATOMS303=K240,R249the atoms involved in each of the contacts you wish to calculateATOMS304=D241,R249the atoms involved in each of the contacts you wish to calculateATOMS305=K242,R249the atoms involved in each of the contacts you wish to calculateATOMS306=P243,R249the atoms involved in each of the contacts you wish to calculateATOMS307=H244,R249the atoms involved in each of the contacts you wish to calculateATOMS308=N245,R249the atoms involved in each of the contacts you wish to calculateATOMS309=I246,R249the atoms involved in each of the contacts you wish to calculateATOMS310=F247,R249the atoms involved in each of the contacts you wish to calculateATOMS311=K248,R249the atoms involved in each of the contacts you wish to calculateATOMS312=R249,R249the atoms involved in each of the contacts you wish to calculateSWITCH={RATIONAL R_0=1}The switching functions to use for each of the contacts in your mapLABEL=contact ... CONTACTMAPa label for the action so that its output can be referenced in the input to other actionsPrint quantities to a file. More detailsARG=contactthe input for this action is the scalar output from one or more other actionsFILE=contact_mapthe name of the file on which to output these quantities