Peptide self-assembly

User discussions
1

GROMACS version: 2021
GROMACS modification: Yes/No

Dear all,

I want to study the self-assembly process of peptides by molecular dynamics! I wonder how can put several peptides in the same box?

Thank you in advance.

2

Use gmx insert-molecules -ci -nmol.

3

Thank you so much

4

I’m also working peptide self-assembly using CG Martini & aim of the simulation to observe peptide will self-assemble in order structure or not. I followed Gromacs Martini protocol. Can u guide me the procedure for this.