MacroModel Reference Manual - ISP

Chapter 4: Operation Codesarg1Parameter set modified by LPOPThis argument controls which set of parameters is modified by the remaining argumentsto LPOP.0 Tweak parametersarg 2arg5arg6arg7arg8Maximum number of Tweak iterations that can be used while trying togenerate an acceptable loop conformation.Default: 600Early check iteration fraction.Loop generation attempts will be abandoned at arg5 * arg2 tweak iterationsif the distance criteria specified by arg6 is not met.Default: 0.167Early check maximum deviation.If the maximum deviation of the distances from their desired values isgreater than the value of arg6 the current tweak process is abandonedand the process for generating a new loop is restarted.Default: 7.0 ÅMaximum ratio of constraints to rotatable dihedral angles.If the ratio of the number of target distances to the number of rotatablebonds exceeds this value then the current loop generation attempt isabandoned and the process for generating a new loop is restarted.Default: 1.1Maximum dihedral angle change.Tweaking a conformation involves iteratively adjusting the dihedralangles. The size of the changes in the dihedral angles for any one adjustmentare scaled so that the largest change is less than arg7.Default: 5 degrees1 Initial construction parametersarg2The number of attempts at generating a given dihedral angle before retreatingto the previous rotatable bond.Default: 10MacroModel 9.7 Reference Manual 97