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> From: mark.abra...@anu.edu.au
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] How to increase the number of parameters in dihedral
> angle potentials?
>
> bh...@princeton.edu wrote:
> > Dear all,
> >
> > This is the problem I meet with. GROMACS prov
bh...@princeton.edu wrote:
Dear all,
This is the problem I meet with. GROMACS provides a Ryckaert-Bellemans function with 6 parameters (C0, C1, C2, ..., C5) , while what I need is a function of summation over 8 terms, that is, 8 parameters from C0 to C7. I tried to add the values of the two add
Dear all,
This is the problem I meet with. GROMACS provides a Ryckaert-Bellemans function
with 6 parameters (C0, C1, C2, ..., C5) , while what I need is a function of
summation over 8 terms, that is, 8 parameters from C0 to C7. I tried to add the
values of the two additional pamameters at the
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