[gmx-users] Box Vectors in .gro file

[Johnny Lu]

how about this one?
http://en.wikipedia.org/wiki/Primitive_cell

On Wed, Sep 24, 2014 at 10:53 AM, Hardy, Adam <ah259 at hw.ac.uk> wrote:

> Dear all,
>
> I'm trying to set up a simulation which uses a parallelepiped box. The
> trouble I'm having is I don't quite understand the notation used to
> describe it in the .gro file.
>
> I have read the detail here:
> http://manual.gromacs.org/current/online/gro.html but it's not quite
> enough for me.
>
> I am sure it's some sort of standard notation but I've not come across
> before and every time I go searching for "box vectors" or similar I just
> get a lot of pages about cardboard vector art.
>
> Could someone give an explanation or point me to somewhere I can learn
> about this?
>
> Thanks,
>
> Adam Hardy
> PhD Student
> School of Engineering and Physical Sciences
> Heriot-Watt University
> Edinburgh EH14 4AS, UK
>
> -----
> We invite research leaders and ambitious early career researchers to
> join us in leading and driving research in key inter-disciplinary themes.
> Please see www.hw.ac.uk/researchleaders for further information and how
> to apply.
>
> Heriot-Watt University is a Scottish charity
> registered under charity number SC000278.
>
> --
> 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.
>