Project ID: plumID:22.012
Source: Ayala_et_al_2022_PLUMED/plumed_DNAJB1_H244A+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
Click on the labels of the actions for more information on what each action computes
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###ATOMS of DNAJB1 CHAIN A, predicted to be invovled in binding###
D167: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=185-196 L168: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=197-215 R169: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=216-239 V170: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=240-255 S171: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=256-266 L172: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=267-285 E173: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=286-300 E174: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=301-315 I175: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=316-334 E214: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=979-993 G215: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=994-1000 T216: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1001-1014 P274: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1906-1919 L276: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1934-1952 V238: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1340-1355 L239: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1356-1374 K240: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1375-1396 D241: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1397-1408 K242: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1409-1430 P243: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1431-1444 H244: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1445-1454 N245: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1455-1468 I246: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1469-1487 F247: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1488-1507 K248: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1508-1529 R249: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1530-1553 ###ATOMS of HTT, predicted to be involved in binding###
P93: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7483-7496 P94: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7497-7510 P95: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7511-7524 P96: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7525-7538 P97: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7539-7552 P98: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7553-7566 P99: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7567-7580 P100: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7581-7594 P101: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7595-7608 P102: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=7609-7622 CONTACTMAPCalculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details ... ATOMS1the atoms involved in each of the contacts you wish to calculate=D167,P93 ATOMS2the atoms involved in each of the contacts you wish to calculate=L168,P93 ATOMS3the atoms involved in each of the contacts you wish to calculate=R169,P93 ATOMS4the atoms involved in each of the contacts you wish to calculate=V170,P93 ATOMS5the atoms involved in each of the contacts you wish to calculate=S171,P93 ATOMS6the atoms involved in each of the contacts you wish to calculate=L172,P93 ATOMS7the atoms involved in each of the contacts you wish to calculate=E173,P93 ATOMS8the atoms involved in each of the contacts you wish to calculate=E174,P93 ATOMS9the atoms involved in each of the contacts you wish to calculate=I175,P93 ATOMS10the atoms involved in each of the contacts you wish to calculate=E214,P93 ATOMS11the atoms involved in each of the contacts you wish to calculate=G215,P93 ATOMS12the atoms involved in each of the contacts you wish to calculate=T216,P93 ATOMS13the atoms involved in each of the contacts you wish to calculate=P274,P93 ATOMS14the atoms involved in each of the contacts you wish to calculate=L276,P93 ATOMS15the atoms involved in each of the contacts you wish to calculate=V238,P93 ATOMS16the atoms involved in each of the contacts you wish to calculate=L239,P93 ATOMS17the atoms involved in each of the contacts you wish to calculate=K240,P93 ATOMS18the atoms involved in each of the contacts you wish to calculate=D241,P93 ATOMS19the atoms involved in each of the contacts you wish to calculate=K242,P93 ATOMS20the atoms involved in each of the contacts you wish to calculate=P243,P93 ATOMS21the atoms involved in each of the contacts you wish to calculate=H244,P93 ATOMS22the atoms involved in each of the contacts you wish to calculate=N245,P93 ATOMS23the atoms involved in each of the contacts you wish to calculate=I246,P93 ATOMS24the atoms involved in each of the contacts you wish to calculate=F247,P93 ATOMS25the atoms involved in each of the contacts you wish to calculate=K248,P93 ATOMS26the atoms involved in each of the contacts you wish to calculate=R249,P93 ATOMS27the atoms involved in each of the contacts you wish to calculate=D167,P94 ATOMS28the atoms involved in each of the contacts you wish to calculate=L168,P94 ATOMS29the atoms involved in each of the contacts you wish to calculate=R169,P94 ATOMS30the atoms involved in each of the contacts you wish to calculate=V170,P94 ATOMS31the atoms involved in each of the contacts you wish to calculate=S171,P94 ATOMS32the atoms involved in each of the contacts you wish to calculate=L172,P94 ATOMS33the atoms involved in each of the contacts you wish to calculate=E173,P94 ATOMS34the atoms involved in each of the contacts you wish to calculate=E174,P94 ATOMS35the atoms involved in each of the contacts you wish to calculate=I175,P94 ATOMS36the atoms involved in each of the contacts you wish to calculate=E214,P94 ATOMS37the atoms involved in each of the contacts you wish to calculate=G215,P94 ATOMS38the atoms involved in each of the contacts you wish to calculate=T216,P94 ATOMS39the atoms involved in each of the contacts you wish to calculate=P274,P94 ATOMS40the atoms involved in each of the contacts you wish to calculate=L276,P94 ATOMS41the atoms involved in each of the contacts you wish to calculate=V238,P94 ATOMS42the atoms involved in each of the contacts you wish to calculate=L239,P94 ATOMS43the atoms involved in each of the contacts you wish to calculate=K240,P94 ATOMS44the atoms involved in each of the contacts you wish to calculate=D241,P94 ATOMS45the atoms involved in each of the contacts you wish to calculate=K242,P94 ATOMS46the atoms involved in each of the contacts you wish to calculate=P243,P94 ATOMS47the atoms involved in each of the contacts you wish to calculate=H244,P94 ATOMS48the atoms involved in each of the contacts you wish to calculate=N245,P94 ATOMS49the atoms involved in each of the contacts you wish to calculate=I246,P94 ATOMS50the atoms involved in each of the contacts you wish to calculate=F247,P94 ATOMS51the atoms involved in each of the contacts you wish to calculate=K248,P94 ATOMS52the atoms involved in each of the contacts you wish to calculate=R249,P94 ATOMS53the atoms involved in each of the contacts you wish to calculate=D167,P95 ATOMS54the atoms involved in each of the contacts you wish to calculate=L168,P95 ATOMS55the atoms involved in each of the contacts you wish to calculate=R169,P95 ATOMS56the atoms involved in each of the contacts you wish to calculate=V170,P95 ATOMS57the atoms involved in each of the contacts you wish to calculate=S171,P95 ATOMS58the atoms involved in each of the contacts you wish to calculate=L172,P95 ATOMS59the atoms involved in each of the contacts you wish to calculate=E173,P95 ATOMS60the atoms involved in each of the contacts you wish to calculate=E174,P95 ATOMS61the atoms involved in each of the contacts you wish to calculate=I175,P95 ATOMS62the atoms involved in each of the contacts you wish to calculate=E214,P95 ATOMS63the atoms involved in each of the contacts you wish to calculate=G215,P95 ATOMS64the atoms involved in each of the contacts you wish to calculate=T216,P95 ATOMS65the atoms involved in each of the contacts you wish to calculate=P274,P95 ATOMS66the atoms involved in each of the contacts you wish to calculate=L276,P95 ATOMS67the atoms involved in each of the contacts you wish to calculate=V238,P95 ATOMS68the atoms involved in each of the contacts you wish to calculate=L239,P95 ATOMS69the atoms involved in each of the contacts you wish to calculate=K240,P95 ATOMS70the atoms involved in each of the contacts you wish to calculate=D241,P95 ATOMS71the atoms involved in each of the contacts you wish to calculate=K242,P95 ATOMS72the atoms involved in each of the contacts you wish to calculate=P243,P95 ATOMS73the atoms involved in each of the contacts you wish to calculate=H244,P95 ATOMS74the atoms involved in each of the contacts you wish to calculate=N245,P95 ATOMS75the atoms involved in each of the contacts you wish to calculate=I246,P95 ATOMS76the atoms involved in each of the contacts you wish to calculate=F247,P95 ATOMS77the atoms involved in each of the contacts you wish to calculate=K248,P95 ATOMS78the atoms involved in each of the contacts you wish to calculate=R249,P95 ATOMS79the atoms involved in each of the contacts you wish to calculate=D167,P96 ATOMS80the atoms involved in each of the contacts you wish to calculate=L168,P96 ATOMS81the atoms involved in each of the contacts you wish to calculate=R169,P96 ATOMS82the atoms involved in each of the contacts you wish to calculate=V170,P96 ATOMS83the atoms involved in each of the contacts you wish to calculate=S171,P96 ATOMS84the atoms involved in each of the contacts you wish to calculate=L172,P96 ATOMS85the atoms involved in each of the contacts you wish to calculate=E173,P96 ATOMS86the atoms involved in each of the contacts you wish to calculate=E174,P96 ATOMS87the atoms involved in each of the contacts you wish to calculate=I175,P96 ATOMS88the atoms involved in each of the contacts you wish to calculate=E214,P96 ATOMS89the atoms involved in each of the contacts you wish to calculate=G215,P96 ATOMS90the atoms involved in each of the contacts you wish to calculate=T216,P96 ATOMS91the atoms involved in each of the contacts you wish to calculate=P274,P96 ATOMS92the atoms involved in each of the contacts you wish to calculate=L276,P96 ATOMS93the atoms involved in each of the contacts you wish to calculate=V238,P96 ATOMS94the atoms involved in each of the contacts you wish to calculate=L239,P96 ATOMS95the atoms involved in each of the contacts you wish to calculate=K240,P96 ATOMS96the atoms involved in each of the contacts you wish to calculate=D241,P96 ATOMS97the atoms involved in each of the contacts you wish to calculate=K242,P96 ATOMS98the atoms involved in each of the contacts you wish to calculate=P243,P96 ATOMS99the atoms involved in each of the contacts you wish to calculate=H244,P96 ATOMS100the atoms involved in each of the contacts you wish to calculate=N245,P96 ATOMS101the atoms involved in each of the contacts you wish to calculate=I246,P96 ATOMS102the atoms involved in each of the contacts you wish to calculate=F247,P96 ATOMS103the atoms involved in each of the contacts you wish to calculate=K248,P96 ATOMS104the atoms involved in each of the contacts you wish to calculate=R249,P96 ATOMS105the atoms involved in each of the contacts you wish to calculate=D167,P97 ATOMS106the atoms involved in each of the contacts you wish to calculate=L168,P97 ATOMS107the atoms involved in each of the contacts you wish to calculate=R169,P97 ATOMS108the atoms involved in each of the contacts you wish to calculate=V170,P97 ATOMS109the atoms involved in each of the contacts you wish to calculate=S171,P97 ATOMS110the atoms involved in each of the contacts you wish to calculate=L172,P97 ATOMS111the atoms involved in each of the contacts you wish to calculate=E173,P97 ATOMS112the atoms involved in each of the contacts you wish to calculate=E174,P97 ATOMS113the atoms involved in each of the contacts you wish to calculate=I175,P97 ATOMS114the atoms involved in each of the contacts you wish to calculate=E214,P97 ATOMS115the atoms involved in each of the contacts you wish to calculate=G215,P97 ATOMS116the atoms involved in each of the contacts you wish to calculate=T216,P97 ATOMS117the atoms involved in each of the contacts you wish to calculate=P274,P97 ATOMS118the atoms involved in each of the contacts you wish to calculate=L276,P97 ATOMS119the atoms involved in each of the contacts you wish to calculate=V238,P97 ATOMS120the atoms involved in each of the contacts you wish to calculate=L239,P97 ATOMS121the atoms involved in each of the contacts you wish to calculate=K240,P97 ATOMS122the atoms involved in each of the contacts you wish to calculate=D241,P97 ATOMS123the atoms involved in each of the contacts you wish to calculate=K242,P97 ATOMS124the atoms involved in each of the contacts you wish to calculate=P243,P97 ATOMS125the atoms involved in each of the contacts you wish to calculate=H244,P97 ATOMS126the atoms involved in each of the contacts you wish to calculate=N245,P97 ATOMS127the atoms involved in each of the contacts you wish to calculate=I246,P97 ATOMS128the atoms involved in each of the contacts you wish to calculate=F247,P97 ATOMS129the atoms involved in each of the contacts you wish to calculate=K248,P97 ATOMS130the atoms involved in each of the contacts you wish to calculate=R249,P97 ATOMS131the atoms involved in each of the contacts you wish to calculate=D167,P98 ATOMS132the atoms involved in each of the contacts you wish to calculate=L168,P98 ATOMS133the atoms involved in each of the contacts you wish to calculate=R169,P98 ATOMS134the atoms involved in each of the contacts you wish to calculate=V170,P98 ATOMS135the atoms involved in each of the contacts you wish to calculate=S171,P98 ATOMS136the atoms involved in each of the contacts you wish to calculate=L172,P98 ATOMS137the atoms involved in each of the contacts you wish to calculate=E173,P98 ATOMS138the atoms involved in each of the contacts you wish to calculate=E174,P98 ATOMS139the atoms involved in each of the contacts you wish to calculate=I175,P98 ATOMS140the atoms involved in each of the contacts you wish to calculate=E214,P98 ATOMS141the atoms involved in each of the contacts you wish to calculate=G215,P98 ATOMS142the atoms involved in each of the contacts you wish to calculate=T216,P98 ATOMS143the atoms involved in each of the contacts you wish to calculate=P274,P98 ATOMS144the atoms involved in each of the contacts you wish to calculate=L276,P98 ATOMS145the atoms involved in each of the contacts you wish to calculate=V238,P98 ATOMS146the atoms involved in each of the contacts you wish to calculate=L239,P98 ATOMS147the atoms involved in each of the contacts you wish to calculate=K240,P98 ATOMS148the atoms involved in each of the contacts you wish to calculate=D241,P98 ATOMS149the atoms involved in each of the contacts you wish to calculate=K242,P98 ATOMS150the atoms involved in each of the contacts you wish to calculate=P243,P98 ATOMS151the atoms involved in each of the contacts you wish to calculate=H244,P98 ATOMS152the atoms involved in each of the contacts you wish to calculate=N245,P98 ATOMS153the atoms involved in each of the contacts you wish to calculate=I246,P98 ATOMS154the atoms involved in each of the contacts you wish to calculate=F247,P98 ATOMS155the atoms involved in each of the contacts you wish to calculate=K248,P98 ATOMS156the atoms involved in each of the contacts you wish to calculate=R249,P98 ATOMS157the atoms involved in each of the contacts you wish to calculate=D167,P99 ATOMS158the atoms involved in each of the contacts you wish to calculate=L168,P99 ATOMS159the atoms involved in each of the contacts you wish to calculate=R169,P99 ATOMS160the atoms involved in each of the contacts you wish to calculate=V170,P99 ATOMS161the atoms involved in each of the contacts you wish to calculate=S171,P99 ATOMS162the atoms involved in each of the contacts you wish to calculate=L172,P99 ATOMS163the atoms involved in each of the contacts you wish to calculate=E173,P99 ATOMS164the atoms involved in each of the contacts you wish to calculate=E174,P99 ATOMS165the atoms involved in each of the contacts you wish to calculate=I175,P99 ATOMS166the atoms involved in each of the contacts you wish to calculate=E214,P99 ATOMS167the atoms involved in each of the contacts you wish to calculate=G215,P99 ATOMS168the atoms involved in each of the contacts you wish to calculate=T216,P99 ATOMS169the atoms involved in each of the contacts you wish to calculate=P274,P99 ATOMS170the atoms involved in each of the contacts you wish to calculate=L276,P99 ATOMS171the atoms involved in each of the contacts you wish to calculate=V238,P99 ATOMS172the atoms involved in each of the contacts you wish to calculate=L239,P99 ATOMS173the atoms involved in each of the contacts you wish to calculate=K240,P99 ATOMS174the atoms involved in each of the contacts you wish to calculate=D241,P99 ATOMS175the atoms involved in each of the contacts you wish to calculate=K242,P99 ATOMS176the atoms involved in each of the contacts you wish to calculate=P243,P99 ATOMS177the atoms involved in each of the contacts you wish to calculate=H244,P99 ATOMS178the atoms involved in each of the contacts you wish to calculate=N245,P99 ATOMS179the atoms involved in each of the contacts you wish to calculate=I246,P99 ATOMS180the atoms involved in each of the contacts you wish to calculate=F247,P99 ATOMS181the atoms involved in each of the contacts you wish to calculate=K248,P99 ATOMS182the atoms involved in each of the contacts you wish to calculate=R249,P99 ATOMS183the atoms involved in each of the contacts you wish to calculate=D167,P100 ATOMS184the atoms involved in each of the contacts you wish to calculate=L168,P100 ATOMS185the atoms involved in each of the contacts you wish to calculate=R169,P100 ATOMS186the atoms involved in each of the contacts you wish to calculate=V170,P100 ATOMS187the atoms involved in each of the contacts you wish to calculate=S171,P100 ATOMS188the atoms involved in each of the contacts you wish to calculate=L172,P100 ATOMS189the atoms involved in each of the contacts you wish to calculate=E173,P100 ATOMS190the atoms involved in each of the contacts you wish to calculate=E174,P100 ATOMS191the atoms involved in each of the contacts you wish to calculate=I175,P100 ATOMS192the atoms involved in each of the contacts you wish to calculate=E214,P100 ATOMS193the atoms involved in each of the contacts you wish to calculate=G215,P100 ATOMS194the atoms involved in each of the contacts you wish to calculate=T216,P100 ATOMS195the atoms involved in each of the contacts you wish to calculate=P274,P100 ATOMS196the atoms involved in each of the contacts you wish to calculate=L276,P100 ATOMS197the atoms involved in each of the contacts you wish to calculate=V238,P100 ATOMS198the atoms involved in each of the contacts you wish to calculate=L239,P100 ATOMS199the atoms involved in each of the contacts you wish to calculate=K240,P100 ATOMS200the atoms involved in each of the contacts you wish to calculate=D241,P100 ATOMS201the atoms involved in each of the contacts you wish to calculate=K242,P100 ATOMS202the atoms involved in each of the contacts you wish to calculate=P243,P100 ATOMS203the atoms involved in each of the contacts you wish to calculate=H244,P100 ATOMS204the atoms involved in each of the contacts you wish to calculate=N245,P100 ATOMS205the atoms involved in each of the contacts you wish to calculate=I246,P100 ATOMS206the atoms involved in each of the contacts you wish to calculate=F247,P100 ATOMS207the atoms involved in each of the contacts you wish to calculate=K248,P100 ATOMS208the atoms involved in each of the contacts you wish to calculate=R249,P100 ATOMS209the atoms involved in each of the contacts you wish to calculate=D167,P101 ATOMS210the atoms involved in each of the contacts you wish to calculate=L168,P101 ATOMS211the atoms involved in each of the contacts you wish to calculate=R169,P101 ATOMS212the atoms involved in each of the contacts you wish to calculate=V170,P101 ATOMS213the atoms involved in each of the contacts you wish to calculate=S171,P101 ATOMS214the atoms involved in each of the contacts you wish to calculate=L172,P101 ATOMS215the atoms involved in each of the contacts you wish to calculate=E173,P101 ATOMS216the atoms involved in each of the contacts you wish to calculate=E174,P101 ATOMS217the atoms involved in each of the contacts you wish to calculate=I175,P101 ATOMS218the atoms involved in each of the contacts you wish to calculate=E214,P101 ATOMS219the atoms involved in each of the contacts you wish to calculate=G215,P101 ATOMS220the atoms involved in each of the contacts you wish to calculate=T216,P101 ATOMS221the atoms involved in each of the contacts you wish to calculate=P274,P101 ATOMS222the atoms involved in each of the contacts you wish to calculate=L276,P101 ATOMS223the atoms involved in each of the contacts you wish to calculate=V238,P101 ATOMS224the atoms involved in each of the contacts you wish to calculate=L239,P101 ATOMS225the atoms involved in each of the contacts you wish to calculate=K240,P101 ATOMS226the atoms involved in each of the contacts you wish to calculate=D241,P101 ATOMS227the atoms involved in each of the contacts you wish to calculate=K242,P101 ATOMS228the atoms involved in each of the contacts you wish to calculate=P243,P101 ATOMS229the atoms involved in each of the contacts you wish to calculate=H244,P101 ATOMS230the atoms involved in each of the contacts you wish to calculate=N245,P101 ATOMS231the atoms involved in each of the contacts you wish to calculate=I246,P101 ATOMS232the atoms involved in each of the contacts you wish to calculate=F247,P101 ATOMS233the atoms involved in each of the contacts you wish to calculate=K248,P101 ATOMS234the atoms involved in each of the contacts you wish to calculate=R249,P101 ATOMS235the atoms involved in each of the contacts you wish to calculate=D167,P102 ATOMS236the atoms involved in each of the contacts you wish to calculate=L168,P102 ATOMS237the atoms involved in each of the contacts you wish to calculate=R169,P102 ATOMS238the atoms involved in each of the contacts you wish to calculate=V170,P102 ATOMS239the atoms involved in each of the contacts you wish to calculate=S171,P102 ATOMS240the atoms involved in each of the contacts you wish to calculate=L172,P102 ATOMS241the atoms involved in each of the contacts you wish to calculate=E173,P102 ATOMS242the atoms involved in each of the contacts you wish to calculate=E174,P102 ATOMS243the atoms involved in each of the contacts you wish to calculate=I175,P102 ATOMS244the atoms involved in each of the contacts you wish to calculate=E214,P102 ATOMS245the atoms involved in each of the contacts you wish to calculate=G215,P102 ATOMS246the atoms involved in each of the contacts you wish to calculate=T216,P102 ATOMS247the atoms involved in each of the contacts you wish to calculate=P274,P102 ATOMS248the atoms involved in each of the contacts you wish to calculate=L276,P102 ATOMS249the atoms involved in each of the contacts you wish to calculate=V238,P102 ATOMS250the atoms involved in each of the contacts you wish to calculate=L239,P102 ATOMS251the atoms involved in each of the contacts you wish to calculate=K240,P102 ATOMS252the atoms involved in each of the contacts you wish to calculate=D241,P102 ATOMS253the atoms involved in each of the contacts you wish to calculate=K242,P102 ATOMS254the atoms involved in each of the contacts you wish to calculate=P243,P102 ATOMS255the atoms involved in each of the contacts you wish to calculate=H244,P102 ATOMS256the atoms involved in each of the contacts you wish to calculate=N245,P102 ATOMS257the atoms involved in each of the contacts you wish to calculate=I246,P102 ATOMS258the atoms involved in each of the contacts you wish to calculate=F247,P102 ATOMS259the atoms involved in each of the contacts you wish to calculate=K248,P102 ATOMS260the atoms involved in each of the contacts you wish to calculate=R249,P102 SWITCHThe switching functions to use for each of the contacts in your map. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=1} LABELa label for the action so that its output can be referenced in the input to other actions=contact ... CONTACTMAP
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=contact.* FILEthe name of the file on which to output these quantities=contact_map