[gmx-users] dssp error

[Mark Abraham]

On 27/03/2012 8:50 PM, Albert wrote:
> hello:
>   I am trying to run do_dssp by command:
>
> do_dssp -s md.tpr -f md.trr -b 400 -e 500 -o fws_ss.xpm
>
> but it said:
>
> Select a group: 1
> Selected 1: 'Protein'
> There are 35 residues in your selected group
> trn version: GMX_trn_file (single precision)
> Reading frame     400 time  400.000
> Back Off! I just backed up ddbXn2WY to ./#ddbXn2WY.1#
>
> -------------------------------------------------------
> Program do_dssp, VERSION 4.5.5
> Source code file: do_dssp.c, line: 572
>
> Fatal error:
> Failed to execute command: /usr/local/bin/dssp -na ddbXn2WY ddeWknkk > 
> /dev/null 2> /dev/null
> For more information and tips for troubleshooting, please check the 
> GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------

Sounds like you haven't followed the instructions in do_dssp -h 
carefully enough.

Mark