[gmx-users] do_dssp failed to execute

[Mark Abraham]

----- 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

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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