[gmx-users] dssp error

[Mario Andres Rodriguez Pineda]

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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