firstStage 2 lastStage 2 reportingInterval 1.0 numReportingIntervals 15 temperature 1.0 removeRigidBodyMomentum false # beetle TERT template: protein E 94 CYDYDAIPWLQNVEPNLRPKLLLKHNLFLLDNIVKPIIAFYYKPIKTLNGHEIKFIRKEEYIS # threaded human TERT fragment sequence protein H 522 RSPGVGCVPAAEHRLREEILAKFLHWLMSVYVVELLRSFFYVTETTFQKNRLFFYRKSV # providing no residue numbers rigidifies the entire chain E: mobilizer Rigid E # It should be obvious what "FirstResidue" means constrainToGround E FirstResidue threading H 524 543 E 96 115 300 threading H 544 580 E 117 153 300 #excludedVolumeRadius .9 # we apply contacts to chain H only. applying them to chain E would lead to no threading! contact AllAtomSterics H FirstResidue LastResidue