Hello all
I have a problem and would be thankfull if any one help me.
I have built a simulation box which is contained graphene and polymer. I geometry optimized it witt Forcite modules and then i equilibrated it by a long time dynamic equilibration with Forcite modules for 50000MD steps. but my system is not look great i mean polymer chain do not lay on the graphene sheet and are from graphene(attached photo). i tried to make them close by displacement tools before dynamic run but polymer chains should not cross the graphene sheet so i could not make the close well .would you help me please?
Thank you
Nika