[gmx-users] Re: gmx-users Digest, Vol 72, Issue 21 (dssp FATAL ERROR)
Justin A. Lemkul
jalemkul at vt.edu
Tue Apr 6 13:06:05 CEST 2010
vivek modi wrote:
Please take note of this message:
> When replying, please edit your Subject line so it is more specific
> than "Re: Contents of gmx-users digest..."
>
As well, remove all the text that isn't pertinent to your message so archiving
doesn't get messed up.
<snip>
> vivek modi wrote:
> > hi,
> >
> > Although this is already discussed in the mailing list but none
> of the
> > solutions mentioned helped me.
> >
> > I am using Gromacs-4.0.5. I downloaded dssp
> > from http://swift.cmbi.ru.nl/gv/dssp/HTML/dsspcmbi
> > Then I copy this to /usr/local/bin & chmod to executable.
> > But when I run the program do_dssp it gives the following error:
> >
> >
> > Program do_dssp_4, VERSION 4.0.5
> > Source code file: do_dssp.c, line: 471
> >
> > Fatal error:
> > Failed to execute command: /usr/local/bin/dssp -na ddXnSQTc
> ddgMjECf >
> > /dev/null 2> /dev/null
> >
> > Any help is appreciated.
> >
>
> Did you re-name the executable? Have you set the DSSP environment
> variable
> properly?
>
> -Justin
>
>
>
> Yes. I have done both the things.
>
>
> Vivek.
>
What is the exact do_dssp command you are giving? It looks like the actual dssp
executable is being redirected twice somehow.
-Justin
--
========================================
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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