Dear all,

I have build a structure as you can see in attach figure. For building this structure I did below steps respectively:

1- Building crystal.

2- Building a PE chain.

3-Copping this chain in to crystal.

4-changing it position to desire position.

5-Using Amorphous cell construction, packing task 3D amorphous structure was build while the first chain was still in desire position of step 4.

6-A graphene sheet was copied to this resulted structure.

7-I changed its position as you can see in the figure.

8-Finally I attached the polymer chain a graphene sheet.

But I have problems with this structure:

1-When I use geometry optimization task of Forcite module the final equilibrated structure is changed (figure2).

2- It is not possible dynamic run on equilibrated structure.

3- Also I am going to convert this structure in to coarse-grain but it again change (figure3)

I think my step was not true for creation a stable structure!!!???!!!

I will be appreciated if help me with your suggestions.

Regard

SJN