On Wed, Feb 6, 2013 at 6:01 PM, Albert <[email protected]> wrote: > On 02/06/2013 05:37 PM, Namita Dube wrote: > >> Hi, >> There must be some kind of problem with your system. >> have you tried using : >> mdrun -s input.tpr -membed membed.dat -o traj.trr -c membed.pdb -e >> ener.edr >> -nt 1 -cpt -1 -mn index.ndx -mp merged.top -v -stepout 100 >> what it says? >> >> Thanks. >> > > > it stopped with errors. > > not eough space for XTC? > > > > However, when I run it in gromacs-4.5.6 by g_membed, it finished well. >
g_membed was removed and re-implemented into mdrun, like the original message said. Please file an issue at http://redmine.gromacs.org and attach the .tpr that works with 4.5.6 and fails with 4.6, a description of what you are doing, and anything else relevant. Mark -- 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
