[gmx-users] How to prepare protein-peptide/protein-ligand complex molecule in membrane environment

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Tue Nov 19 11:51:07 CET 2019


Hi
You can see the gromacs tutorial by Dr. Lemkul
Otherwise you can go for CHARMM gui

The following tutorial may help you
https://youtu.be/VNytjlJ1r6s

On Tue 19 Nov, 2019, 2:29 PM Muthusankar, <muthubioinf at gmail.com> wrote:

> Dear All,
> Currently am working in integral membrane protein and i have docked complex
> molecule of protein-peptide/protein-ligand. i am planning to run the MD
> simulation using gromacs. I need to prepare the membrane environment of
> complex molecules. Please, guide me, how to prepare the
> protein-peptide/protein-ligand complex molecule in membrane environment?
>
> Thanks.
>
> With regards
> *Muthu Sankar*
> Biomedical Informatics Centre,
> ICMR-National Institute for Research in Reproductive Health (NIRRH),
> Parel, Mumbai-400 012, India.
>
> Email: muthubioinf at gmail.com; muthubioapm at gmail.com
> Mobile No.  +91 9080444540; 9789765123
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