[gmx-users] DSSP installation on Ubuntu 12.10

Mass masstransfer_2010 at yahoo.com
Thu Oct 10 13:37:20 CEST 2013

Dear Gromacs users,
I have asked this questions before and Justin gave some answers which I could solve my problem based on his answer. I am using Ubuntu 12.10 and installed gromacs 4.5.5-2. 
this is what I have done
2- I moved this file to usr/local/bin
1- first I downloaded the dssp 
wget ftp://ftp.cmbi.ru.nl/pub/software/dssp/dssp-2.0.4-linux-amd64 -O~/dssp
2- I moved this file to usr/local/bin

then I run do_dssp  and I was asked to select a group
Select a group: 1
Selected 1: 'Protein'
There are 162 residues in your selected group
trn version: GMX_trn_file (single precision)
Reading frame       0 time    0.000   
Back Off! I just backed up ddQ0FCUF to ./#ddQ0FCUF.1#

after that I am getting 
Program do_dssp, VERSION 4.5.5
Source code file: /build/buildd/gromacs-4.5.5/src/tools/do_dssp.c, line: 572

Fatal error:
Failed to execute command: /usr/local/bin/dssp -na ddQ0FCUF ddzUlAvc > /dev/null 2> /dev/null
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
I really appreciate if anyone can tell me simple and step-by step solution (I am a beginner user).


More information about the gromacs.org_gmx-users mailing list