> Hi gromacs users > > For my work I have performed some simulations of a protein in water with an > other MD software not compatible with >GROMACS. And I would like to compute > the time evolution of the secondary structure of my protein, I know that the > >with >the xpm2ps tool give in gromacs. Is it possible to have an (small) > exemple of an .xpm file generated by the do_dssp >tools
Just run a 10-step MD simulation and generate one yourself. Or convert your other trajectories into .pdb format and use that as input to do_dssp. You do not necessarily need a .tpr file for do_dssp, see "man do_dssp" under the "-s" flag. Mark Thanks Mark for your suggestions but it is not working for me So i have tested an other approach with VMD to obtain the secondary structure time series for my protein. The ouput graph obtained is not pretty, so i would like to make for a paper a same graph that i found in some gromacs papers. For this i need to convert the output datas file of VMD to gromacs xpm file obtained with do_dssp with a script and convert it to ps with the xpm2ps tool. In gromacs documentation i can not find an exemple of xpm file generated with do_dssp. So it is possible to obtain from the gromacs users a small exemple of this file to see how the datas are arranged Thank you very much Stefane _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
