[gmx-users] periodic improper dihedral

[Mark Abraham]

Yes

On Thu, 17 Dec 2015 05:39 Eric Smoll <ericsmoll at gmail.com> wrote:

> Hello GROMACS users,
>
> I have a question about specifying periodic improper dihedrals in GROMACS.
>
> In the GROMACS manual (chapter 5, table 5.5), the parameters of the
> periodic improper dihedral are listed as follows:
>
> phi_s ( deg ); k_phi (kJ mol^-1); multiplicity
>
> In the GROMACS manual (chapter 4, equation 4.60), the form of the periodic
> improper dihedral is specified as
>
> V_d( phi_ijkl ) = k_phi ( 1 - cos(n*phi - phi_s))
>
> Am I correct in assuming that "n" shown is the "multiplicity" listed above?
>
> Best,
> Eric
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