[gmx-users] cut-off scheme

[Dhrubajyoti Maji]

Many thanks for your reply. These links are really helpful.

On Thu, 16 Jan 2020 at 14:51, Alessandra Villa <
alessandra.villa.biosim at gmail.com> wrote:

> Hi,
>
> my suggestion is to move to Verlet scheme -
> (
> http://manual.gromacs.org/documentation/2019/user-guide/cutoff-schemes.html
> )
> See also for
>
> http://manual.gromacs.org/documentation/2020/release-notes/2019/major/deprecated-functionality.html#functionality-deprecated-in-gromacs-2019
>
> You could compare the results coming from two schemes using the same
> GROMACS version, paying particular attention to the properties of your
> interest, and on the properties on which the parameterization is based on
> (if possible). The results should be very similar.
> Best regards
> Alessandra
>
>
>
>
> On Tue, Jan 14, 2020 at 8:29 PM Dhrubajyoti Maji <dmaji43 at gmail.com>
> wrote:
>
> > Dear all,
> >          I have found in some old literatures where force field
> > parmetrizations were done, they have used group cut-off scheme which was
> > default in gromacs version then. Now, if I want to use those parameters
> in
> > updated gromacs version, do I have to take cutoff scheme as group ? Or
> can
> > I use Verlet as it is default now? Any kind of help will be appreciated.
> > Thanks and regards,
> > Dhrubajyoti Maji
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