[gmx-users] index.ndx files

Mark Abraham Mark.Abraham at anu.edu.au
Sat Mar 31 01:42:20 CEST 2012


On 31/03/2012 10:39 AM, Eduardo Oliveira wrote:
> Hi,
>
> I'm trying to set up a configuration file to but i keep gettin an 
> error after the grompp_d run. I'm using the command line as follows:
>
> grompp_d -f stpr.mdp -c sistema_boxwater.gro -p sistema.top -o 
> sistema_stpr.tpr -n
> Text in bold correspond to my files.
>
> This is what i got:
>
> File input/output error:
> index.ndx
>

If you specify -n, then grompp needs to be able to find and read a file. 
The default filename is index.ndx, but that isn't working. You need to 
find out why.

Mark
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