[gmx-users] (no subject)

Najamuddin Memon najamuddinmemon63 at gmail.com
Wed Dec 25 23:15:02 CET 2019


It is not about to select numbers in drop down menu. You should write atom
no of protein and ligand. For example your chain a is protein having 2000
atoms. The atom no starts from 1 till 2000 for protein. And for chain b is
your ligand and your ligand has 40 atoms it is from 2001 till 2040. You can
see these atom no in .top file.

On Wed, Dec 25, 2019, 8:54 PM nupur munjal <nupurmunjal at gmail.com> wrote:

> Hi,
> i am trying to make the index file without loops and termini and using the
> option protein and ligand that is 1 and 13 but the index file is formed
> with the same as it is formed from the whole system.
>
> --
> Kind Regards
> Nupur Munjal
> PhD Scholar (Bioinformatics)
> Department of Biotechnology & Bioinformatics
> Jaypee University of Information Technology
> Waknaghat, Solan,India
>
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