Dear all, Could you please advise me on how to convert a dihedral amber force-field parameter into amberport in Gromacs v 4.5? I have read the mailing list and the manual, so I understand Gmx 4.5 can deal with multiple entries per dihedral, using the type 9 function, instead of accumulating them into a single set of RB parameters. But I do not know how to go about a dihedral with IDIVF number =3, and wild-cards used in the dihedral definition, such as: X - CI - OS - X 3 1.150 0.0 3.0 What would be the right set of entries for such a dihedral? All suggestions would be much appreciated.
Thank you, Jarmila
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