yc04023 wrote:
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?
See http://wiki.gromacs.org/index.php/do_dssp
Mark
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