[gmx-users] Clayff forcefield

G R golnaz.chem at gmail.com
Wed Aug 2 11:20:45 CEST 2017

 I try to implement CLYFF in gromacs. I created ffbonded.itp,
    ffnonbonded.itp, atomtype.atp, forcefield.doc, forcefield.itp and
    molecule.rtp. I want  to simulate Kaolinite, and I try to use pdb2gmx to
    create a topology. My first question is that should I create any other
    files? second, In molecule.rtp, I just write the atom type, atom name
    charges. should I add bonds for each atom? Also, in rtp file, I don't
    what should I write as a residue?
    Thank you in advance,

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