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? I am looking forward to your reply,thanks! greetings, Cao Yang.
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