Hi, I am trying to use do_dssp to generate a secondary structure map over time for a 10-ns simulation. I have installed dssp_2.2.0 at the usual /usr/local/bin I tried running it with the following command line do_dssp -f md.xtc -s md.tpr -o ss.xpm -sc ss.xvg -dt 100 -tu ps; but ended up with the following error.
Thanks in advance for your help. Selected 4: 'Backbone' There are 424 residues in your selected group dssp cmd='/usr/local/bin/dssp -i dd5Yvoh4 -o ddazDUUO > /dev/null 2> /dev/null' Reading frame 0 time 0.000 Back Off! I just backed up dd5Yvoh4 to ./#dd5Yvoh4.1# ------------------------------------------------------- Program do_dssp, VERSION 4.6.3 Source code file: /home/rsd/gromacs-4.6.3/src/tools/gmx_do_dssp.c, line: 669 Fatal error: Failed to execute command: Try specifying your dssp version with the -ver option. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- "God is a DJ" (Faithless) -Dipankar-- 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
