[gmx-users] OPLS-AA Unknown Atomtype

Yao Yao yao0o at ymail.com
Tue Aug 23 08:18:03 CEST 2011

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?


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