[gmx-users] Problem with gmx trjconv -box -1 -1 14

[Mark Abraham]

Hi,

That does indeed contradict the docs. Can you please file an issue at
http://redmine.gromacs.org and attach your inputs and command line, so we
can reproduce it?

Thanks,

Mark


On Wed, Sep 3, 2014 at 11:38 AM, Stefano Borocci <borocci at unitus.it> wrote:

> Hi all,
> I am trying to use trjconv -box -1 -1 14 to modify the z dimention of the
> box containing DMPC lipid bilayer and water.
> I have used:
>
> trjconv -f dmpc.xtc -pbc mol -center -o dmpc_mol_cent.xtc -s dmpc.tpr
> trjconv -f dmpc_mol_cent.xtc -o dmpc_newbox.xtc -box -1 -1 14
>
> Both the modified version of trjconv (as reported in
> http://redmine.gromacs.org/issues/871) and the gmx trjconv of GROMACS 5.0
> don't work. The -1 option in -box, for the x and y dimension, don't
> preserve the original box size but changes these as 0: I obtain a box with
> dimension 0 0 14.
>
> Thanks in advance
>
>
>
> Stefano
>
> --
> -----------------------------------------------
> Dr Stefano Borocci
> Laboratorio di Chimica e Chimica Computazionale
> Dipartimento per la Innovazione nei Sistemi Biologici,
> Agroalimentari e Forestali (DIBAF)
> Università degli Studi della Tuscia
> Largo dell'Università, snc 01100 Viterbo
> Tel. +39-0761-357127
>      +39-0761-357193
> Fax  +39 0761-357179
> e-mail: borocci at unitus.it
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