[gmx-users] gmx rdf gromacs 5.1 question!

[Teemu Murtola]

Hi,

You should use -seltype instead of -selrpos in this case.

Best regards,
Teemu

On Fri, Sep 25, 2015, 11:12 Stelios Karozis <skarozis at ipta.demokritos.gr>
wrote:

> Greeting everyone,
> I strated using gromacs 5.1 and I have difficulties with gmx rdf
> command. With older version of gromacs I used -xy -rdf mol_com
>  flags. As far as I can understand, the equivalent flags for gromacs 5.1
>  are -xy -selrpos mol_com but the result is not correct. For instance
>  the first peak is at 0nm and not close to 0.5nm...
> I believe I am not using the right flags.
>
> Thanks in advance for your help
>
> --
> Karozis Stelios
> Chemical Engineer, MSc
> Research Associate at EREL
> NCSR D- INRASTES
> tel:    0030 210 650 3403
> e-mail: skarozis at ipta.demokritos.gr
> --
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