[gmx-users] cut-off scheme

[Alessandra Villa]

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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