[gmx-users] Building a box

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Oct 16 19:19:41 CEST 2015

Hi Thomas,

You can build a box by specifying vector lengths and angles: gmx editconf
-box ... -angles ... . Mind that you don't have full freedom like that, as
the box matrix will be upper triangular and reduced (the projection of a
later vector on a previous may not be larger than half that vector). But
any lattice/box can be rotated and deskewed to meet these criteria.

Hope it helps,

On Oct 16, 2015 6:41 PM, "thomas knitter" <silkweaver35 at gmail.com> wrote:

> Hi there,
> Is there anyway that I could build a box which has different lengths in all
> directions like that below:
>    a11  a12   a13
>    a21  a22   a23
>    a31  a32   a33
> Thanks
> --
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