Hi! I need to modify the rotamer definitions in resdih.lib, but I get the following error when adding 4 entries to a residue.
_modeller.error: rdrdih__223E> Internal error: array too small: MDIHOPT current maximum, current need: 4 4
This is the line that creates the error:
CA CB CG OD1 4 0.516 0.194 0.161 0.129 -11.9 69.4 -67.6 154.8 12.5 11.1 23.3 25.7 -180 -90 -90 0 0 90 90 180
using only 3 optima values doesn't give any error. Is there a limit in the maximum number of optima? This info is part of the output but I don't know if its a limit or the number found: Maximal number of dihedral angle optima: 3
Thanks for the help
Luis
Luis Gracia wrote: > Hi! I need to modify the rotamer definitions in resdih.lib, but I get > the following error when adding 4 entries to a residue. > > _modeller.error: rdrdih__223E> Internal error: array too small: MDIHOPT > current maximum, current need: 4 4 > > This is the line that creates the error: > > CA CB CG OD1 4 0.516 0.194 0.161 0.129 -11.9 69.4 > -67.6 154.8 12.5 11.1 23.3 25.7 -180 -90 -90 0 0 90 90 180 > > using only 3 optima values doesn't give any error. Is there a limit in > the maximum number of optima? This info is part of the output but I > don't know if its a limit or the number found: > Maximal number of dihedral angle optima: 3
Yes - unfortunately there is a hard-coded limit of 3 optima. This will be removed in the next release of Modeller, but for the time being, you are restricted to 3.
Ben Webb, Modeller Caretaker
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Luis Gracia -
Modeller Caretaker