[gmx-users] OPLS angles

Prasad Gajula prasad.gajula at uni-osnabrueck.de
Thu Apr 28 14:38:32 CEST 2005

Dear Gromacs users,

I am using OPLS forcefield for my simulations. The molecule also contains
di iron. It has ligand bonds with some other residues. How can I define
angles for it. Though I am able to define bonds, but not able to angles
and dihedral etc.
grompp generating warnings saying that using default angle zero......
could some one suggest me where to define angles?
Looking forward for any help!
Best regards

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