Project ID: plumID:22.012
Source: Ayala_et_al_2022_PLUMED/plumed_DNAJB1_wt+cluster2.dat
Originally used with PLUMED version: 2.6
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
###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 for
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 HTT, predicted to be involved in binding###
P93:CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7497-7510 P94:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7511-7524 P95:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7525-7538 P96:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7539-7552 P97:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7553-7566 P98:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7567-7580 P99:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7581-7594 P100:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7595-7608 P101:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7609-7622 P102:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=7623-7636the 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=D167,P93the atoms involved in each of the contacts you wish to calculateATOMS2=L168,P93the atoms involved in each of the contacts you wish to calculateATOMS3=R169,P93the atoms involved in each of the contacts you wish to calculateATOMS4=V170,P93the atoms involved in each of the contacts you wish to calculateATOMS5=S171,P93the atoms involved in each of the contacts you wish to calculateATOMS6=L172,P93the atoms involved in each of the contacts you wish to calculateATOMS7=E173,P93the atoms involved in each of the contacts you wish to calculateATOMS8=E174,P93the atoms involved in each of the contacts you wish to calculateATOMS9=I175,P93the atoms involved in each of the contacts you wish to calculateATOMS10=E214,P93the atoms involved in each of the contacts you wish to calculateATOMS11=G215,P93the atoms involved in each of the contacts you wish to calculateATOMS12=T216,P93the atoms involved in each of the contacts you wish to calculateATOMS13=P274,P93the atoms involved in each of the contacts you wish to calculateATOMS14=L276,P93the atoms involved in each of the contacts you wish to calculateATOMS15=V238,P93the atoms involved in each of the contacts you wish to calculateATOMS16=L239,P93the atoms involved in each of the contacts you wish to calculateATOMS17=K240,P93the atoms involved in each of the contacts you wish to calculateATOMS18=D241,P93the atoms involved in each of the contacts you wish to calculateATOMS19=K242,P93the atoms involved in each of the contacts you wish to calculateATOMS20=P243,P93the atoms involved in each of the contacts you wish to calculateATOMS21=H244,P93the atoms involved in each of the contacts you wish to calculateATOMS22=N245,P93the atoms involved in each of the contacts you wish to calculateATOMS23=I246,P93the atoms involved in each of the contacts you wish to calculateATOMS24=F247,P93the atoms involved in each of the contacts you wish to calculateATOMS25=K248,P93the atoms involved in each of the contacts you wish to calculateATOMS26=R249,P93the atoms involved in each of the contacts you wish to calculateATOMS27=D167,P94the atoms involved in each of the contacts you wish to calculateATOMS28=L168,P94the atoms involved in each of the contacts you wish to calculateATOMS29=R169,P94the atoms involved in each of the contacts you wish to calculateATOMS30=V170,P94the atoms involved in each of the contacts you wish to calculateATOMS31=S171,P94the atoms involved in each of the contacts you wish to calculateATOMS32=L172,P94the atoms involved in each of the contacts you wish to calculateATOMS33=E173,P94the atoms involved in each of the contacts you wish to calculateATOMS34=E174,P94the atoms involved in each of the contacts you wish to calculateATOMS35=I175,P94the atoms involved in each of the contacts you wish to calculateATOMS36=E214,P94the atoms involved in each of the contacts you wish to calculateATOMS37=G215,P94the atoms involved in each of the contacts you wish to calculateATOMS38=T216,P94the atoms involved in each of the contacts you wish to calculateATOMS39=P274,P94the atoms involved in each of the contacts you wish to calculateATOMS40=L276,P94the atoms involved in each of the contacts you wish to calculateATOMS41=V238,P94the atoms involved in each of the contacts you wish to calculateATOMS42=L239,P94the atoms involved in each of the contacts you wish to calculateATOMS43=K240,P94the atoms involved in each of the contacts you wish to calculateATOMS44=D241,P94the atoms involved in each of the contacts you wish to calculateATOMS45=K242,P94the atoms involved in each of the contacts you wish to calculateATOMS46=P243,P94the atoms involved in each of the contacts you wish to calculateATOMS47=H244,P94the atoms involved in each of the contacts you wish to calculateATOMS48=N245,P94the atoms involved in each of the contacts you wish to calculateATOMS49=I246,P94the atoms involved in each of the contacts you wish to calculateATOMS50=F247,P94the atoms involved in each of the contacts you wish to calculateATOMS51=K248,P94the atoms involved in each of the contacts you wish to calculateATOMS52=R249,P94the atoms involved in each of the contacts you wish to calculateATOMS53=D167,P95the atoms involved in each of the contacts you wish to calculateATOMS54=L168,P95the atoms involved in each of the contacts you wish to calculateATOMS55=R169,P95the atoms involved in each of the contacts you wish to calculateATOMS56=V170,P95the atoms involved in each of the contacts you wish to calculateATOMS57=S171,P95the atoms involved in each of the contacts you wish to calculateATOMS58=L172,P95the atoms involved in each of the contacts you wish to calculateATOMS59=E173,P95the atoms involved in each of the contacts you wish to calculateATOMS60=E174,P95the atoms involved in each of the contacts you wish to calculateATOMS61=I175,P95the atoms involved in each of the contacts you wish to calculateATOMS62=E214,P95the atoms involved in each of the contacts you wish to calculateATOMS63=G215,P95the atoms involved in each of the contacts you wish to calculateATOMS64=T216,P95the atoms involved in each of the contacts you wish to calculateATOMS65=P274,P95the atoms involved in each of the contacts you wish to calculateATOMS66=L276,P95the atoms involved in each of the contacts you wish to calculateATOMS67=V238,P95the atoms involved in each of the contacts you wish to calculateATOMS68=L239,P95the atoms involved in each of the contacts you wish to calculateATOMS69=K240,P95the atoms involved in each of the contacts you wish to calculateATOMS70=D241,P95the atoms involved in each of the contacts you wish to calculateATOMS71=K242,P95the atoms involved in each of the contacts you wish to calculateATOMS72=P243,P95the atoms involved in each of the contacts you wish to calculateATOMS73=H244,P95the atoms involved in each of the contacts you wish to calculateATOMS74=N245,P95the atoms involved in each of the contacts you wish to calculateATOMS75=I246,P95the atoms involved in each of the contacts you wish to calculateATOMS76=F247,P95the atoms involved in each of the contacts you wish to calculateATOMS77=K248,P95the atoms involved in each of the contacts you wish to calculateATOMS78=R249,P95the atoms involved in each of the contacts you wish to calculateATOMS79=D167,P96the atoms involved in each of the contacts you wish to calculateATOMS80=L168,P96the atoms involved in each of the contacts you wish to calculateATOMS81=R169,P96the atoms involved in each of the contacts you wish to calculateATOMS82=V170,P96the atoms involved in each of the contacts you wish to calculateATOMS83=S171,P96the atoms involved in each of the contacts you wish to calculateATOMS84=L172,P96the atoms involved in each of the contacts you wish to calculateATOMS85=E173,P96the atoms involved in each of the contacts you wish to calculateATOMS86=E174,P96the atoms involved in each of the contacts you wish to calculateATOMS87=I175,P96the atoms involved in each of the contacts you wish to calculateATOMS88=E214,P96the atoms involved in each of the contacts you wish to calculateATOMS89=G215,P96the atoms involved in each of the contacts you wish to calculateATOMS90=T216,P96the atoms involved in each of the contacts you wish to calculateATOMS91=P274,P96the atoms involved in each of the contacts you wish to calculateATOMS92=L276,P96the atoms involved in each of the contacts you wish to calculateATOMS93=V238,P96the atoms involved in each of the contacts you wish to calculateATOMS94=L239,P96the atoms involved in each of the contacts you wish to calculateATOMS95=K240,P96the atoms involved in each of the contacts you wish to calculateATOMS96=D241,P96the atoms involved in each of the contacts you wish to calculateATOMS97=K242,P96the atoms involved in each of the contacts you wish to calculateATOMS98=P243,P96the atoms involved in each of the contacts you wish to calculateATOMS99=H244,P96the atoms involved in each of the contacts you wish to calculateATOMS100=N245,P96the atoms involved in each of the contacts you wish to calculateATOMS101=I246,P96the atoms involved in each of the contacts you wish to calculateATOMS102=F247,P96the atoms involved in each of the contacts you wish to calculateATOMS103=K248,P96the atoms involved in each of the contacts you wish to calculateATOMS104=R249,P96the atoms involved in each of the contacts you wish to calculateATOMS105=D167,P97the atoms involved in each of the contacts you wish to calculateATOMS106=L168,P97the atoms involved in each of the contacts you wish to calculateATOMS107=R169,P97the atoms involved in each of the contacts you wish to calculateATOMS108=V170,P97the atoms involved in each of the contacts you wish to calculateATOMS109=S171,P97the atoms involved in each of the contacts you wish to calculateATOMS110=L172,P97the atoms involved in each of the contacts you wish to calculateATOMS111=E173,P97the atoms involved in each of the contacts you wish to calculateATOMS112=E174,P97the atoms involved in each of the contacts you wish to calculateATOMS113=I175,P97the atoms involved in each of the contacts you wish to calculateATOMS114=E214,P97the atoms involved in each of the contacts you wish to calculateATOMS115=G215,P97the atoms involved in each of the contacts you wish to calculateATOMS116=T216,P97the atoms involved in each of the contacts you wish to calculateATOMS117=P274,P97the atoms involved in each of the contacts you wish to calculateATOMS118=L276,P97the atoms involved in each of the contacts you wish to calculateATOMS119=V238,P97the atoms involved in each of the contacts you wish to calculateATOMS120=L239,P97the atoms involved in each of the contacts you wish to calculateATOMS121=K240,P97the atoms involved in each of the contacts you wish to calculateATOMS122=D241,P97the atoms involved in each of the contacts you wish to calculateATOMS123=K242,P97the atoms involved in each of the contacts you wish to calculateATOMS124=P243,P97the atoms involved in each of the contacts you wish to calculateATOMS125=H244,P97the atoms involved in each of the contacts you wish to calculateATOMS126=N245,P97the atoms involved in each of the contacts you wish to calculateATOMS127=I246,P97the atoms involved in each of the contacts you wish to calculateATOMS128=F247,P97the atoms involved in each of the contacts you wish to calculateATOMS129=K248,P97the atoms involved in each of the contacts you wish to calculateATOMS130=R249,P97the atoms involved in each of the contacts you wish to calculateATOMS131=D167,P98the atoms involved in each of the contacts you wish to calculateATOMS132=L168,P98the atoms involved in each of the contacts you wish to calculateATOMS133=R169,P98the atoms involved in each of the contacts you wish to calculateATOMS134=V170,P98the atoms involved in each of the contacts you wish to calculateATOMS135=S171,P98the atoms involved in each of the contacts you wish to calculateATOMS136=L172,P98the atoms involved in each of the contacts you wish to calculateATOMS137=E173,P98the atoms involved in each of the contacts you wish to calculateATOMS138=E174,P98the atoms involved in each of the contacts you wish to calculateATOMS139=I175,P98the atoms involved in each of the contacts you wish to calculateATOMS140=E214,P98the atoms involved in each of the contacts you wish to calculateATOMS141=G215,P98the atoms involved in each of the contacts you wish to calculateATOMS142=T216,P98the atoms involved in each of the contacts you wish to calculateATOMS143=P274,P98the atoms involved in each of the contacts you wish to calculateATOMS144=L276,P98the atoms involved in each of the contacts you wish to calculateATOMS145=V238,P98the atoms involved in each of the contacts you wish to calculateATOMS146=L239,P98the atoms involved in each of the contacts you wish to calculateATOMS147=K240,P98the atoms involved in each of the contacts you wish to calculateATOMS148=D241,P98the atoms involved in each of the contacts you wish to calculateATOMS149=K242,P98the atoms involved in each of the contacts you wish to calculateATOMS150=P243,P98the atoms involved in each of the contacts you wish to calculateATOMS151=H244,P98the atoms involved in each of the contacts you wish to calculateATOMS152=N245,P98the atoms involved in each of the contacts you wish to calculateATOMS153=I246,P98the atoms involved in each of the contacts you wish to calculateATOMS154=F247,P98the atoms involved in each of the contacts you wish to calculateATOMS155=K248,P98the atoms involved in each of the contacts you wish to calculateATOMS156=R249,P98the atoms involved in each of the contacts you wish to calculateATOMS157=D167,P99the atoms involved in each of the contacts you wish to calculateATOMS158=L168,P99the atoms involved in each of the contacts you wish to calculateATOMS159=R169,P99the atoms involved in each of the contacts you wish to calculateATOMS160=V170,P99the atoms involved in each of the contacts you wish to calculateATOMS161=S171,P99the atoms involved in each of the contacts you wish to calculateATOMS162=L172,P99the atoms involved in each of the contacts you wish to calculateATOMS163=E173,P99the atoms involved in each of the contacts you wish to calculateATOMS164=E174,P99the atoms involved in each of the contacts you wish to calculateATOMS165=I175,P99the atoms involved in each of the contacts you wish to calculateATOMS166=E214,P99the atoms involved in each of the contacts you wish to calculateATOMS167=G215,P99the atoms involved in each of the contacts you wish to calculateATOMS168=T216,P99the atoms involved in each of the contacts you wish to calculateATOMS169=P274,P99the atoms involved in each of the contacts you wish to calculateATOMS170=L276,P99the atoms involved in each of the contacts you wish to calculateATOMS171=V238,P99the atoms involved in each of the contacts you wish to calculateATOMS172=L239,P99the atoms involved in each of the contacts you wish to calculateATOMS173=K240,P99the atoms involved in each of the contacts you wish to calculateATOMS174=D241,P99the atoms involved in each of the contacts you wish to calculateATOMS175=K242,P99the atoms involved in each of the contacts you wish to calculateATOMS176=P243,P99the atoms involved in each of the contacts you wish to calculateATOMS177=H244,P99the atoms involved in each of the contacts you wish to calculateATOMS178=N245,P99the atoms involved in each of the contacts you wish to calculateATOMS179=I246,P99the atoms involved in each of the contacts you wish to calculateATOMS180=F247,P99the atoms involved in each of the contacts you wish to calculateATOMS181=K248,P99the atoms involved in each of the contacts you wish to calculateATOMS182=R249,P99the atoms involved in each of the contacts you wish to calculateATOMS183=D167,P100the atoms involved in each of the contacts you wish to calculateATOMS184=L168,P100the atoms involved in each of the contacts you wish to calculateATOMS185=R169,P100the atoms involved in each of the contacts you wish to calculateATOMS186=V170,P100the atoms involved in each of the contacts you wish to calculateATOMS187=S171,P100the atoms involved in each of the contacts you wish to calculateATOMS188=L172,P100the atoms involved in each of the contacts you wish to calculateATOMS189=E173,P100the atoms involved in each of the contacts you wish to calculateATOMS190=E174,P100the atoms involved in each of the contacts you wish to calculateATOMS191=I175,P100the atoms involved in each of the contacts you wish to calculateATOMS192=E214,P100the atoms involved in each of the contacts you wish to calculateATOMS193=G215,P100the atoms involved in each of the contacts you wish to calculateATOMS194=T216,P100the atoms involved in each of the contacts you wish to calculateATOMS195=P274,P100the atoms involved in each of the contacts you wish to calculateATOMS196=L276,P100the atoms involved in each of the contacts you wish to calculateATOMS197=V238,P100the atoms involved in each of the contacts you wish to calculateATOMS198=L239,P100the atoms involved in each of the contacts you wish to calculateATOMS199=K240,P100the atoms involved in each of the contacts you wish to calculateATOMS200=D241,P100the atoms involved in each of the contacts you wish to calculateATOMS201=K242,P100the atoms involved in each of the contacts you wish to calculateATOMS202=P243,P100the atoms involved in each of the contacts you wish to calculateATOMS203=H244,P100the atoms involved in each of the contacts you wish to calculateATOMS204=N245,P100the atoms involved in each of the contacts you wish to calculateATOMS205=I246,P100the atoms involved in each of the contacts you wish to calculateATOMS206=F247,P100the atoms involved in each of the contacts you wish to calculateATOMS207=K248,P100the atoms involved in each of the contacts you wish to calculateATOMS208=R249,P100the atoms involved in each of the contacts you wish to calculateATOMS209=D167,P101the atoms involved in each of the contacts you wish to calculateATOMS210=L168,P101the atoms involved in each of the contacts you wish to calculateATOMS211=R169,P101the atoms involved in each of the contacts you wish to calculateATOMS212=V170,P101the atoms involved in each of the contacts you wish to calculateATOMS213=S171,P101the atoms involved in each of the contacts you wish to calculateATOMS214=L172,P101the atoms involved in each of the contacts you wish to calculateATOMS215=E173,P101the atoms involved in each of the contacts you wish to calculateATOMS216=E174,P101the atoms involved in each of the contacts you wish to calculateATOMS217=I175,P101the atoms involved in each of the contacts you wish to calculateATOMS218=E214,P101the atoms involved in each of the contacts you wish to calculateATOMS219=G215,P101the atoms involved in each of the contacts you wish to calculateATOMS220=T216,P101the atoms involved in each of the contacts you wish to calculateATOMS221=P274,P101the atoms involved in each of the contacts you wish to calculateATOMS222=L276,P101the atoms involved in each of the contacts you wish to calculateATOMS223=V238,P101the atoms involved in each of the contacts you wish to calculateATOMS224=L239,P101the atoms involved in each of the contacts you wish to calculateATOMS225=K240,P101the atoms involved in each of the contacts you wish to calculateATOMS226=D241,P101the atoms involved in each of the contacts you wish to calculateATOMS227=K242,P101the atoms involved in each of the contacts you wish to calculateATOMS228=P243,P101the atoms involved in each of the contacts you wish to calculateATOMS229=H244,P101the atoms involved in each of the contacts you wish to calculateATOMS230=N245,P101the atoms involved in each of the contacts you wish to calculateATOMS231=I246,P101the atoms involved in each of the contacts you wish to calculateATOMS232=F247,P101the atoms involved in each of the contacts you wish to calculateATOMS233=K248,P101the atoms involved in each of the contacts you wish to calculateATOMS234=R249,P101the atoms involved in each of the contacts you wish to calculateATOMS235=D167,P102the atoms involved in each of the contacts you wish to calculateATOMS236=L168,P102the atoms involved in each of the contacts you wish to calculateATOMS237=R169,P102the atoms involved in each of the contacts you wish to calculateATOMS238=V170,P102the atoms involved in each of the contacts you wish to calculateATOMS239=S171,P102the atoms involved in each of the contacts you wish to calculateATOMS240=L172,P102the atoms involved in each of the contacts you wish to calculateATOMS241=E173,P102the atoms involved in each of the contacts you wish to calculateATOMS242=E174,P102the atoms involved in each of the contacts you wish to calculateATOMS243=I175,P102the atoms involved in each of the contacts you wish to calculateATOMS244=E214,P102the atoms involved in each of the contacts you wish to calculateATOMS245=G215,P102the atoms involved in each of the contacts you wish to calculateATOMS246=T216,P102the atoms involved in each of the contacts you wish to calculateATOMS247=P274,P102the atoms involved in each of the contacts you wish to calculateATOMS248=L276,P102the atoms involved in each of the contacts you wish to calculateATOMS249=V238,P102the atoms involved in each of the contacts you wish to calculateATOMS250=L239,P102the atoms involved in each of the contacts you wish to calculateATOMS251=K240,P102the atoms involved in each of the contacts you wish to calculateATOMS252=D241,P102the atoms involved in each of the contacts you wish to calculateATOMS253=K242,P102the atoms involved in each of the contacts you wish to calculateATOMS254=P243,P102the atoms involved in each of the contacts you wish to calculateATOMS255=H244,P102the atoms involved in each of the contacts you wish to calculateATOMS256=N245,P102the atoms involved in each of the contacts you wish to calculateATOMS257=I246,P102the atoms involved in each of the contacts you wish to calculateATOMS258=F247,P102the atoms involved in each of the contacts you wish to calculateATOMS259=K248,P102the atoms involved in each of the contacts you wish to calculateATOMS260=R249,P102the 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