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 . 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 James 2013/1/15 Justin Lemkul <jalem...@vt.edu>: > > > On 1/15/13 3:19 AM, James Starlight wrote: >> >> Dear Gromacs Users! >> >> I'd like to know if it's possible to obtain some values from do_dssp >> except the graph diagrams of the ss dynamics ? For example I wounder >> to know values of how many residues were in helix, sheet or coil >> conformation during my simulation ? > > > That's what scount.xvg contains. > > >> By the way during analysis of the graph obtained from do_dssp produced by >> do_dssp -s minim -f md_noPBC.xtc -o ./results/dssp >> >> I didnt found legend on the x and y (time, number of residue) as well >> as color scheme of particular ss element. How I can add it to that >> graph ? >> > > I don't understand what you're asking here. > > -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