Hi all, I am constructing a new molecule in OPLS force field. Though I modified ffbonded.itp, ffnonbonded.itp, atomtypes.atp aminoacids.rtp, it still gives error "Unknown Molecule_Atomtype". I have opened all the files in the OPLS force field but really do not see any other files I could modify.
Does anyone have this kind of problem before? Thanks, Yao
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