[gmx-users] dssp error

[Soham Sarkar]

sometimes it happened if there is any residue that is unknown to DSSP, then
it might show this kind of error. I faced it once.

On Fri, Mar 22, 2019 at 1:10 AM Mario Andres Rodriguez Pineda <
mandres at iq.usp.br> wrote:

> 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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> --
> *MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA*
> *Estudiante Doctorado en Biotecnología*
>
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