On 5/8/13 2:55 PM, zugunder wrote:
Hi,
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
fine.
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?
You can check this yourself by investigating the contents of the bin
subdirectory of wherever Gromacs was installed. You probably just need to make
use of GMXRC to configure your environment.
http://www.gromacs.org/Documentation/Installation_Instructions#4.10._Getting_access_to_GROMACS_after_installation
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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