[gmx-users] Defined dihedral function

Rafa Risnik rrisnik at gmail.com
Fri Sep 28 21:44:45 CEST 2018

Hello all,

I am trying to add new parameters for a molecule and I have to define
dihedrals because I'll have different values for the same dihedral
depending on the position they are in the molecule.

My question is, where do I define the type o function for the dihedral that
is defined in the ffbonded.itp? On the ones already there it's only #define
dih_X_X_X_X and the parameters, there's no identification of the function
being used.

Thanks in advance,

*Rafael R. Romeiro*
*Ph.D. student - Thermodynamics of biochemical systems*
*Universidade de São Paulo, Escola Politécnica - Departamento de Engenharia
*GEnBio - Grupo de Engenharia de Bioprocessos (http://sites.usp.br/genbio/
*(11) 96867-2703 / 3091-2282*

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