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 compact 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: topol.tpr For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors -- View this message in context: http://gromacs.5086.n6.nabble.com/Actual-box-size-tp5003850p5003882.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
