1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23
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#loadSequencesFromPdb
removeRigidBodyMomentum false
RNA M 1 CCUAUCAAUGAUAGA
RNA N 1 UCUAUCAUUGAUAGG
RNA m 1 CCUAUCAAUGAUAGA
RNA n 1 UCUAUCAUUGAUAGG
protein A 4 LNRESVIDAALELLNETGIDGLTTRKLAQKLGIEQPTLYWHVKNKRALLDALAVEILARHHDYSLPAAGESWQSFLRNNAMSFRRALLRYRDGAKVHLGTRPDEKQYDTVETQLRFMTENGFSLRDGLYAISAVSHFTLGAVLEQQEHTAALENLPPLLREALQIMDSDDGEQAFLHGLESLIRGFEVQLTALLQ
protein a 4 LDKSKVINSALELLNEVGIEGLTTRKLAQKLGVEQPTLYWHVKNKRALLDALAVEILARHKDYSLPAAGESWQSFLRNNAMSFRRALLRYRDGAKVHLGTRPDEKQYDTVETQLRFMTENGFSLRDGLYAILAVIHFTLGAVLEQQEHTAALTDRPAAPDTDAPDENLPPLLREALQIMDSDDGEQAFLHGLESLIRGFEVQLTALLQ
numReportingIntervals 140
firstStage 2
lastStage 2
mobilizer Rigid
constrainToGround M FirstResidue
constrainToGround N FirstResidue
constraint A FirstResidue Weld a FirstResidue
constraint A FirstResidue Weld m FirstResidue
constraint A FirstResidue Weld n FirstResidue
threading m FirstResidue LastResidue-1 M FirstResidue+1 LastResidue 300
threading n FirstResidue+1 LastResidue N FirstResidue LastResidue-1 300
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