[gmx-users] a question

yc04023 yc04023 at 163.com
Tue Jan 8 02:33:29 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 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!
  Cao Yang.
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