I am using gromacs 4.6 and dssp-2.1.0 and I am getting that error you got: dssp cmd='/usr/local/bin/dssp/ -i ddQ3PqtX -o ddR1HavD > /dev/null 2> /dev/null' Reading frame 0 time 0.000 Back Off! I just backed up ddQ3PqtX to ./#ddQ3PqtX.1#
------------------------------------------------------- Program do_dssp, VERSION 4.6 Source code file: /usr/local/bin/gromacs-4.6/src/tools/gmx_do_dssp.c, line: 667 Fatal error: Failed to execute command: Try specifying your dssp version with the -ver option. How can I fix that? Thanks 2013/1/15 James Starlight <jmsstarli...@gmail.com> > Justin, thanks both options works perfect. > > > James > > 2013/1/15 Justin Lemkul <jalem...@vt.edu>: > > > > > > On 1/15/13 7:13 AM, James Starlight wrote: > >> > >> Justin, > >> > >> > >> I want to obtain timescale on X as well as number of residues on Y > >> on the xmp graph . By default that graph has not legend so it's hard > >> to analyse it . > >> > > > > The legends are printed in the .xvg header. I've never had a problem > > plotting its contents (though they are usually somewhat unclear when > plotted > > together) with xmgrace -nxy scount.xvg > > > > > >> By the way have you forced with some problems with dppc ? Simetimes > >> I've obtain error like > >> > >> > >> There are 286 residues in your selected group > >> dssp cmd='/usr/local/bin/dssp -i dd42GVbd -o ddpu8ln2 > /dev/null 2> > >> /dev/null' > >> Reading frame 0 time 0.000 > >> Back Off! I just backed up dd42GVbd to ./#dd42GVbd.1 > >> > >> > >> Fatal error: > >> Failed to execute command: Try specifying your dssp version with the > >> -ver option. > >> > >> and I dont know how to fix it. > >> > >> I'm using gromacs-4.6-beta 3 with dssp 2.0.3 > >> > > > > Since dssp changed its command line options, Gromacs had to adapt as > well. > > The error tells you to use the -ver option; you should do so. Version 2 > > should be the default, so check to make sure you're actually using that > > version and not the old dssp. > > > > > > -Justin > > > > -- > > ======================================== > > > > Justin A. Lemkul, Ph.D. > > Research Scientist > > Department of Biochemistry > > Virginia Tech > > Blacksburg, VA > > jalemkul[at]vt.edu | (540) 231-9080 > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > > > ======================================== > > -- > > 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 > -- > 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 > -- 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
