[gmx-users] Tabulated dihedral potential

[Mark Abraham]

Hi,

If you can't run a useful model without them, then tables are infinitely
faster. Compared to non-tabulated interactions they're slower. The scaling
of a system that uses them does not change much with system size (if
anything it's better because the steps are slower). So it depends what
question you're asking :-)

Mark

On Sat, Oct 8, 2016 at 10:13 PM Parvez Mh <parvezmh89 at gmail.com> wrote:

> Dear all:
>
> I would like  to use tabulated dihedral in gromacs for very a large system
> where i have some speed up concern. My question is, Does tabulated dihedral
> usages adversely affect simulation speed ?
>
> Regards
>
> Masrul
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