Quoting yc04023 <[EMAIL PROTECTED]>: > dear all, > > i have a question about the do_dssp command, when i use it ,i found it can't > work out the result after more than one day, it stop in the follow place: > There are 42 residues in your selected group > Opening library file /usr/local/gromacs/share/gromacs/top/ss.map > trn version: GMX_trn_file (single precision) > Reading frame 1 time 2.500 > Back Off! I just backed up ddGPARx0 to ./#ddGPARx0.1# > my simulate time is 10ns, and i can use the VMD to see its trajectory, there > is no abnormal. > my command is: do_dssp -s 1_md.tpr -f 1_md.trr -b 1 -e 10000 -o 1_ss.xpm, > and i select the group----protein. > what's wrong with my job?
Use the group 'MainChain' -Justin > I am looking forward to your reply,thanks! > greetings, > Cao Yang. > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list [email protected] 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
