[gmx-users] DSSP error

#ZHAO LINA# ZHAO0139 at e.ntu.edu.sg
Wed Nov 10 15:08:38 CET 2010


http://biskit.pasteur.fr/install/applications/dssp

http://oldwww.gromacs.org/pipermail/gmx-users/2009-April/041004.html

http://www.gromacs.org/Documentation/Gromacs_Utilities/do_dssp?highlight=dssp

HTH,

lina
________________________________
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of ahmet yıldırım [ahmedo047 at gmail.com]
Sent: Wednesday, November 10, 2010 10:02 PM
To: Discussion list for GROMACS users
Subject: [gmx-users] DSSP error

Hi,

I installed in /usr/local/bin the DSSP program. And I set the environment variable with a command such as “export DSSP=/usr/local/bin/dssp”.
ab at ubuntu:/Desktop/work# do_dssp -s run.tpr -f run.xtc
...
Selected 1: 'Protein'
There are 164 residues in your selected group
Opening library file /usr/share/gromacs/top/ss.map
Reading frame       0 time    0.000
Back Off! I just backed up dduigjCp to ./#dduigjCp.1#

-------------------------------------------------------
Program do_dssp, VERSION 4.0.5
Source code file: ../../../../src/tools/do_dssp.c, line: 471

Fatal error:
Failed to execute command: /usr/local/bin/dssp -na dduigjCp ddDsSuzR > /dev/null 2> /dev/null
-------------------------------------------------------
"Jesus Not Only Saves, He Also Frequently Makes Backups." (Myron Bradshaw)

What should I do?

Thanks in advance

--
Ahmet YILDIRIM
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