[gmx-users] error in index file

[Joe Jordan]

Can you post the gro file and the resulting index file?

On Tue, Apr 3, 2018 at 11:20 AM, abhisek Mondal <abhisek.mndl at gmail.com>
wrote:

> Hi,
>
> I'm just having some issue creating index file for umbrella sampling.
>
> I have a ligand:
> Group    20 (NAP) has    73 elements
>
> Now when I run following command:
> gmx make_ndx -f npt.gro
>
> and try to add NAP for index.ndx, only 6 elements were being added.
>
> I don't understand the problem here.
>
> NAP is clearly showing is of 73 elements, but how come it is showing me 6
> elements when added to index file ?
>
> Please help me out here.
>
> Thanks.
>
> --
> Abhisek Mondal
>
> *Senior Research Fellow*
>
> *Structural Biology and Bioinformatics Division*
> *CSIR-Indian Institute of Chemical Biology*
>
> *Kolkata 700032*
>
> *INDIA*
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-- 
Joe Jordan