[gmx-users] do_dssp failed to execute

[Sunita Patel]

Dear Mark,

On Mon, 11 Oct 2010 22:54:44 +1100, Mark Abraham wrote
> ----- Original Message -----
> From: Sunita Patel <sunita at mailhost.tifr.res.in>
> Date: Monday, October 11, 2010 22:50
> Subject: [gmx-users] do_dssp  failed to execute
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> 
> > Dear User,
> > 
> > I set the path for dssp executable in .bashrc file. Still 
> 
> dssp in the path is probably not sufficient. See http://www.gromacs.org/Documentation/Gromacs_Utilities/do_dssp
> 
I already seen this page and the dssp executable file is present in the specified location. 
I surprise why it was not working before. I freshly downloaded the dsspcmbi executable and rename it to dssp and gave executable file permission and it started working.

I was doing like this earlier also. May be dssp executable was corrupted. 
Thanks,
Sunita

> Mark
> 
> > getting following
> > error. Could anybody suggest what would be the problem. 
> > 
> > ********************************error message********
> > Select a group: 5
> > Selected 5: 'MainChain'
> > There are 134 residues in your selected group
> > Opening library file 
> > /home/sunita/soft/gromacs/share/gromacs/top/ss.mapReading 
> > frame       0 
> > time    0.000   
> > Back Off! I just backed up dd3sOJn3 to ./#dd3sOJn3.1#
> > 
> > -------------------------------------------------------
> > Program do_dssp, VERSION 4.0.7
> > Source code file: do_dssp.c, line: 471
> > 
> > Fatal error:
> > Failed to execute command: /home/sunita/soft/bin -na dd3sOJn3 
> > ddZl9dcf >
> > /dev/null 2> /dev/null
> > **********************************
> > 
> > Thanks,
> > Sunit
> > 
> > 
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Dr. Sunita Patel 
--------------------------------------------- 
Visiting Fellow 
Department of Chemical Sciences 
T.I.F.R., Homi Bhabha Road, Colaba 
Mumbai - 400005 
---------------------------------------------
 
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