[gmx-users] g_hbond for trajectory without having box information

[David van der Spoel]

On 2013-07-19 06:26, bipin singh wrote:
> Hello all,
>
> I was using g_hbond to calculate H-bonds for a trajectory made from several
> individual snapshots from MD simulation, but because this trajectory does
> not have the coordinates/information for simulation box, g_hbond is giving
> the following error:
>
> Fatal error:
> Your computational box has shrunk too much.
> g_hbond_mpi can not handle this situation, sorry.
>
>
> Please let me know, if there is any way to rectify this error.
>
>
you can add a box to your trajectory using trjconv.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se