Dear Gromacs users, I did MD simulation of my peptide on Gromacs 5.1.3. I want to do do_dssp analysis.
After using following command: gmx_mpi do_dssp -f *.xtc -s *.tpr -n index.ndx -o -sc Fatal error: Failed to execute command: Try specifying your dssp version with the -ver option. According to the manuall for gmx do_dssp, I used following command: gmx_mpi do_dssp -f *.xtc -s *.tpr -n index.ndx -o -sc -ver 2 But, again: Fatal error: Failed to execute command: Try specifying your dssp version with the -ver option. How to fix it? Any help will highly be appreciated. Best, Atila -- 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.
