[gmx-users] Box Vectors in .gro file
johnny.lu128 at gmail.com
Wed Sep 24 17:30:29 CEST 2014
how about this one?
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?
> Adam Hardy
> PhD Student
> School of Engineering and Physical Sciences
> Heriot-Watt University
> Edinburgh EH14 4AS, UK
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