[gmx-users] dssp error

[rarora at ens-cachan.fr]

Hi,
I used to have similar problem. Try using double precision. Worked for me.

Best
Quoting Albert <mailmd2011 at gmail.com>:

> 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
> -------------------------------------------------------
>
> "It's just the way this stuff is done" (Built to Spill)
>



Rohit Arora
Laboratoire de Biologie et de Pharmacologie Génétique Appliquée (CNRS UMR
8113)
Ecole Normale Supérieure, Cachan
France
Bureau: +33 (0) 1 47 40 77 49
Portable: +33 (0) 6 23 85 12 46