Hello all, I am using the GAFF topology provided for octan-1-ol at Gromacs liquid database (http://virtualchemistry.org/molecules/111-87-5/index.php). I have incorporated all the parameters for atoms, bonds and non-bonded interaction type in the forcefield (Amber99sb-ildn in Gromacs) from GAFF topology (111-87-5.top), but I am not sure how to add the dihedraltypes information in ffbonded.itp from the GAFF topology as to add this information I need the phase and kd for each dihedral. Is this information is available in the GAFF topology provided in the Gromacs database ?
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