[gmx-users] Analysis using sh file

[ric.concu at gmail.com]

Dear all,

 

I have recently upgrade my Gromacs to the 2019 version from the 5.0.4 

 and I found out that now that while I'm trying to use a .sh, as I was 

 doing in the version 5.0.4, now I'm receiving back an error since the 

 syntax is wrong. I'm wondering if someone could please help me.

 

 

This is an example of a line I have been using on Gromacs 5.0.4:" echo "10"
"12" | gmx rdf -f box_tot -s box-npt -n box -o Mol1 &" 

and this is the error message I'm receiving from Gromacs: "Error in user
input: Invalid selection '10 12 '   Near '12'      syntax error

 

Regards,

Riccardo