[gmx-users] dssp error

[Mario Andres Rodriguez Pineda]

I downloaded this from dssp ftp page: dssp-2.0.4-linux-amd64, this is an
executable

Em qui, 21 de mar de 2019 às 16:36, Qinghua Liao <scorpio.liao at gmail.com>
escreveu:

> Have a check the installation of DSSP,
> did you set the variable DSSP for do_dssp?
>
>
> All the best,
> Qinghua
>
>
> On 3/21/19 8:01 PM, Mario Andres Rodriguez Pineda wrote:
> > gmx do_dssp -f cbd211_mdnopbc.xtc -s cbd211_md.tpr -o cbd211_ssp.xpm -tu
> ns
> > -sc cbd211ssp.xvg -ver 2
> >
> > 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.
> >
> >
> > Em qui, 21 de mar de 2019 às 15:53, Qinghua Liao <scorpio.liao at gmail.com
> >
> > escreveu:
> >
> >> Hello,
> >>
> >> Just follow the suggestion by adding "-ver 2" to your command.
> >>
> >>
> >> All the best,
> >> Qinghua
> >>
> >> 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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> >
>
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*MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA*
*Estudiante Doctorado en Biotecnología*

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