Thanks a lot Prof. David. I will try this.
On Fri, Jul 19, 2013 at 10:45 AM, David van der Spoel <sp...@xray.bmc.uu.se>wrote: > 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. > sp...@xray.bmc.uu.se http://folding.bmc.uu.se > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- *----------------------- Thanks and Regards, Bipin Singh* -- 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
