[gmx-users] dssp error

Qinghua Liao scorpio.liao at gmail.com
Thu Mar 21 19:52:51 CET 2019


Just follow the suggestion by adding "-ver 2" to your command.

All the best,

On 3/21/19 7:50 PM, Mario Andres Rodriguez Pineda wrote:
> Good afternoon.
> I'm using Gromacs 2016 to do a dynamic simulation. I installed DSSP 2.0.4
> for secondary structure analysis. When i try to run it i used this commad:
> gmx do_dssp -f prot_mdnopbc.xtc -s prot_md.tpr -o prot_ssp.xpm -tu ns -sc
> protssp.xvg
> but gromacs send me this error:
> Program:     gmx do_dssp, version 2016.3
> Source file: src/gromacs/gmxana/gmx_do_dssp.cpp (line 668)
> Fatal error:
> Failed to execute command: Try specifying your dssp version with the -ver
> option.
> Can you help me to fix this error?
> Thanks for your help

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