[gmx-users] dihedral function type 9 in rtp file

Jianhui Tian jianhuitian at gmail.com
Wed Aug 25 18:26:29 CEST 2010


In the rtp file of Gromacs version 4.5-beta3, the dihedral function type for
proper dihedrals is 9. However, I can't find any documentation about the
function form of this function type.
Also, you can add multiple dihedral potentials for one dihedral term
explicitly in the rtp file.
The term is:

[ dihedrals ] ; optional
;atom1 atom2 atom3 atom4 phi0 cp mult

What is the function form here?


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