[gmx-users] About The cut-off length is longer than half the shortest box vector or longer than the smallest box diagonal element

[Parvez Mh]

I think you should increase your system size, i mean number of atoms or
decrease the cutoff length. *.gro file dimension change will not help you,
because after equilibration, system will retain it's correct dimension.

--Masrul

On Wed, Mar 16, 2016 at 2:02 PM, Poncho Arvayo Zatarain <
poncho_8629 at hotmail.com> wrote:

> Hello, due to one of my last question and about the error:  The cut-off
> length is longer than half the shortest box vector or longer than the
> smallest box diagonal element. Increase the box size or decrease rlist. How
> can do large the box? My .gro files vectors are 8.90000 8.900000 and
> 7.900000 and my cutoff lenghts are: nstlist = 10 ; 10 fsrlist    = 1.2 ;
> short-range neighborlist cutoff (in nm)rcoulomb = 1.2 ; short-range
> electrostatic cutoff (in nm)rvdw = 1.2 ; short-range van der Waals cutoff
> (in nm)vdwtype = cutoff
>
> --
> 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 gmx-users-request at gromacs.org.
>