Re: [ESPResSo-users] problem with polymer module

[Rudolf Weeber]

Hi,
On Wed, Jul 03, 2019 at 02:45:09PM -0500, 张爽 wrote:
> Hi there,
> I am trying to generate a polymer by using espresso polymer module(version
> 4.0.2).
> Here is my script:
>  import sys
>  import numpy as np
>  import espressomd
>  from espressomd.interactions import FeneBond
>  from espressomd import polymer
>  num_poly = 1
>  num_mono = 5
>  fene = FeneBond(k=30, d_r_max=2)
>  polymer.create_polymer(start_pos=[1, 1, 1], N_P=num_poly,bond_length=0.9,
First, you need to instance a simulation system
system = espressomd.system(box_l=[...])
then
fene = FeneBond(...)
system.bonded_inter.add(fene)

Regards, rudolf