In addition to others' suggestions, you also have the option of writing / converting to .gro, which already has flexible precision for the coordinate fields. Use the -prec output option if needed.
Mark On Mar 18, 2014 12:00 AM, "Justin Lemkul" <jalem...@vt.edu> wrote: > > > On 3/17/14, 6:45 PM, Andrew DeYoung wrote: > >> Hi Tsjerk, >> >> Thanks so much for your time. Unfortunately, when I tried to convert a >> .g96 >> configuration to a .trr trajectory, with this command: >> >> trjconv -f conf1.g96 -o conf1.trr >> >> I get this error message: >> >> ------------------------------------------------------- >> Program trjconv_d, VERSION 4.5.5 >> Source code file: trxio.c, line: 693 >> >> Fatal error: >> Reading trajectories in .g96 format is broken. Please use >> a different file format. >> For more information and tips for troubleshooting, please check the >> GROMACS >> website at http://www.gromacs.org/Documentation/Errors >> ------------------------------------------------------- >> >> I am running Gromacs 4.5.5. Do you know if there is another way to >> convert >> a .g96 configuration to a .trr trajectory, without using trjconv? >> >> Or do you know if a different version of Gromacs would not have this >> problem? >> >> > Anything in the 4.6 series or newer should work. The reading of .g96 was > disabled in 2011 when there were problems, but then reinstated in late > 2012, before the release of the first 4.6 beta release. > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
