[gmx-users] Analysis tools and triclinic boxes

Mark Abraham mark.j.abraham at gmail.com
Wed Nov 6 22:50:26 CET 2013


Hi,

They ought to, and we hope they do, but historically quality control of
analysis tools was threadbare, there is no testing of that kind of thing
now, and certainly no implied warranty. Especially at the existing price
point! ;-)

That comment could easily refer to (or be) an archaic code version, I'm
afraid. If you have doubts, please try to verify with a simple system the
behaviour you expect.

Mark


On Mon, Nov 4, 2013 at 7:29 PM, Stephanie Teich-McGoldrick <
stephanietm at gmail.com> wrote:

> Dear all,
>
> I am using gromacs 4.6.3 with a triclinic box. Based on the manual and mail
> list, it is my understanding that the default box shape in gromacs in a
> triclinic box. Can I assume that all the analysis tools also work for a
> triclinic box.
>
> Cheers,
> Stephanie
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