[gmx-users] dssp

Justin A. Lemkul jalemkul at vt.edu
Fri Nov 5 14:07:22 CET 2010

#ZHAO LINA# wrote:
> Hi,
> Program do_dssp, VERSION 4.0.7
> Source code file: pathToGromacs/gromacs-4.0.7/src/tools/do_dssp.c, line: 471
> Fatal error:
> Failed to execute command: pathToDSSP/ -na ddEPI6I2 ddFHouPz > /dev/null 
> 2> /dev/null
> It came out two or three file like  ddEPI6I2 and then died like above.
> My first time try dssp, so do not know how to examine it.

Your DSSP environment variable is set incorrectly.  do_dssp is trying to call 
"pathToDSSP" as the executable.


Note that you should substitute a meaningful PATH on your system, not something 
like "pathToDSSP."


> Thanks for any advice,
> lina


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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