On Mon, Apr 29, 2013 at 10:11 AM, Steven Neumann <s.neuman...@gmail.com>wrote:
> Dear Gmx Users, > > I produced my trajectory using Gromacs 4.6 on GPUs. > When I try: > > trjconv -s md298_gpu.tpr -f md298_gpu.xtc -pbc mol -ur compact -o > md298_gpuURcomp.xtc > > Select a group: 0 > Selected 0: 'System' > Reading frame 0 time 0.000 > Precision of md298_gpu.xtc is 0.001 (nm) > Using output precision of 0.001 (nm) > Back Off! I just backed up md298_gpuURcomp.xtc to ./#md298_gpuURcomp.xtc.2# > Illegal instruction (core dumped) > Would you advise? > > Steven > What I found out is that options -pbc mol or -pbc whole does not work and give this error. Any suggestions please? Steven > > > -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
