Hello Everyone,

                           I am trying to calculate cohesive energy using amorrphous cell and discover module.In case of surfactant i am not sure how can we draw surfactant sturcure in atomistic file because there are negative and positive charge and i dont know how to take care of it. I tried to procede without assigning charge but there is some error. While, for other compound like water and benzene i get cohesive energy data. Error appear in the ist step that is minimization of strcuture using discover module. Can some one please help me how to take care surfactant structure ( consoidering negative and positive charge on head and tail group). Attached is structure i am working on.