[gmx-users] Re: Actual box size

zugunder schlecht at mail.ru
Tue Dec 18 19:44:11 CET 2012

Justin Lemkul wrote
> You need a .tpr file and can re-wrap the periodic image with trjconv -pbc
> mol -ur compact.

Funny, it needs a file which I don't find:

g_trjconv -f nvt_minimized.trr -o nvt_minimized_compact.xtc -pbc mol -ur

Program g_trjconv, VERSION 4.5.5
Source code file: /builddir/build/BUILD/gromacs-4.5.5/src/gmxlib/gmxfio.c,
line: 519

Can not open file:
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

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