Many thanks for your reply. These links are really helpful. On Thu, 16 Jan 2020 at 14:51, Alessandra Villa < [email protected]> 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 <[email protected]> > 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 > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > send a mail to [email protected]. > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
