pawan raghav wrote:
I have download dsspcmbi.zip and extract the dssp folder into
/cygdrive/c/cygwin/usr/local/bin/ directory. Then
set the environment variable export
DSSP=/cygdrive/c/cygwin/usr/local/bin/dssp for bash. then I have gone to
my folder by using cd where all my md files were present i.e.
/cygdrive/c/gromacs-4.0.7. At last I executed the command do_dssp -f
traj.xtc -s md.tpr -n index.ndx -aa area.xvg after preformed this I
still got an error i.e. Fatal error: failed to execute command:
/cygdrive/c/cygwin/usr/local/bin/dssp ddrN1s8q dd4bcjqa >
/dev/null 2> /dev/null
Please rectify this..
Your environment variable is wrong. If you placed a "dssp" folder in
/usr/local/bin, then the actual executable is located in
/usr/local/bin/dssp/dssp. Have a look at the usage notes:
http://www.gromacs.org/Documentation/Gromacs_Utilities/do_dssp
-Justin
--
Pawan
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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