[gmx-users] dssp

[Justin A. Lemkul]

#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.

http://www.gromacs.org/Documentation/Gromacs_Utilities/do_dssp

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

-Justin

> Thanks for any advice,
> 
> lina
> 

-- 
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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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