[gmx-users] dssp error

[Erik Marklund]

What's your dssp version? The most recent ones have different flags that are not yet supported by gromacs.

Erik
 
27 mar 2012 kl. 11.50 skrev Albert:

> 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)
> 
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html

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