Re: initial coordinates

[Jean-Noël Grad]

Dear Gulsah Gul,

This can be achieved using the MDAnalysis python package. The user guide 
section "Reading various formats using MDAnalysis" shows how to populate 
an ESPResSo system with the C-alpha atoms of a protein from a PDB file:
https://espressomd.github.io/doc/io.html#reading-various-formats-using-mdanalysis

Best,
JN

On 2021-09-02 05:54, Gulsah Gul wrote:
> Hello all,
>
>  I want to setup a system by introducing an initial coordinate file of
> molecules like .gro, .pdb etc. but I couldn't understand how to read
> it and how to assign it to the system.part.pos in python. Since there
> are several different bead types, also I couldn't get where should I
> define the bead types based on position id. Do you have any sample
> script or suggestion?
>
>  Thank you
>
>  Best