[gmx-users] distance analysis error

[Dallas Warren]

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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