[gmx-users] distance analysis error

[Mario Andres Rodriguez Pineda]

Thanks a lot Dr. Dallas...

Em qua, 16 de out de 2019 às 19:44, Dallas Warren <dallas.warren at monash.edu>
escreveu:

> Have a read of the instructions for using the script:
>
>
> http://manual.gromacs.org/documentation/current/onlinehelp/gmx-distance.html
>
> That, and the error printed, state that you need to use a pair of
> positions, not a single one.
>
> So your index group should be:
>
> [ F519-S678 ]
> 1450 3976
>
> Catch ya,
>
> Dr. Dallas Warren
> Drug Delivery, Disposition and Dynamics
> Monash Institute of Pharmaceutical Sciences, Monash University
> 381 Royal Parade, Parkville VIC 3052
> dallas.warren at monash.edu
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a
> nail.
>
>
> On Thu, 17 Oct 2019 at 09:28, Mario Andres Rodriguez Pineda <
> mandres at iq.usp.br> wrote:
>
> > Hi everbody
> > I'm trying to analyse an preotein simulation made in Gromacs 2018, but
> when
> > i send the command this returened to me this error:
> >
> > Inconsistency in user input:
> > Selection 'F519' does not evaluate into an even number of positions
> (there
> > are
> > 1 positions)
> >
> > I  made this index of both CB atoms that i want measure the distance in
> all
> > MD trajectory:
> > [ F519 ]
> > 1450
> > [ S678 ]
> > 3976
> >
> > Can someone help me?
> > Thanks
> > --
> > *MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA*
> > *Estudiante Doctorado en Biotecnología*
> >
> > *UNAL- MEDELLÍN/ IQ- USP*
> >
> > *Grupo de Pesquisa em Ressonância Magnética Nuclear de Biomoléculas *
> > *Av. Prof. Lineu Prestes 748, Sao Paulo SP, 05508-000, Tel: + 55 11 3091
> > 1475*
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-- 
*MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA*
*Estudiante Doctorado en Biotecnología*

*UNAL- MEDELLÍN/ IQ- USP*

*Grupo de Pesquisa em Ressonância Magnética Nuclear de Biomoléculas *
*Av. Prof. Lineu Prestes 748, Sao Paulo SP, 05508-000, Tel: + 55 11 3091
1475*