[gmx-users] A problem with do_dssp command

zugunder schlecht at mail.ru
Wed May 8 20:55:05 CEST 2013


Hi, I have a rather odd problem running do_dssp:

$ do_dssp -h
bash: do_dssp: command not found

I am running GROMACS 4.5.7 under SL 6.3 and everything else seems to work

DSSP is also installed and should be OK:

$ dssp -h
DSSP 2.0.4 options:
  -h [ --help ]         Display help message
  -i [ --input ] arg    Input file
  -o [ --output ] arg   Output file, use 'stdout' to output to screen
  -v [ --verbose ]      Verbose output
  --version             Print version
  -d [ --debug ] arg    Debug level (for even more verbose output)

I am quite confused - is it possible that GROMACS package from EPEL (that I
am using) lacks this program?

Thank you.

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