MMTSB
Tool Set Documentation

Replica Exchange Condition File Examples

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Description

Below is a list of examples for various condition files

Hamiltonian Replica Exchange

Dihedral Restraint

bias dihe
300 force=100,target=0,sel1=N01E:11.base,sel2=N01F:20.sugar,sel3=N01F:21.sugar,sel4=N01F:21.base
force=100,target=10,sel1=N01E:11.base,sel2=N01F:20.sugar,sel3=N01F:21.sugar,sel4=N01F:21.base
force=100,target=20,sel1=N01E:11.base,sel2=N01F:20.sugar,sel3=N01F:21.sugar,sel4=N01F:21.base