[gmx-users] a question
Mark.Abraham at anu.edu.au
Tue Jan 8 06:52:07 CET 2008
> 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
> 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?
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