Hi every one

I model a collision process betweem two molecules at desired temperature in Forcite.Then I want to examine enegy transferring process.Fortunately,I have achieved those under the guidance of Reinier and Simon. However,I find the energy transferring process between models (translation,rotation and vibration) is quite different from the presentation in the literature, so I think there must something wrong in my work.I guess the problem lie in the preparation before collision as the author make the molecule undergo there processes  before collision. They are geometry optimization,equilibration and relaxation.Here is the paragraph and link of the paper(P248).http://books.google.co.uk/books?id=8-Dk399oJwUC&pg=PA247&hl=zh-CN&source=gbs_toc_r&cad=3#v=onepage&q&f=false

I have optimized the structure and then run a dynamics in NVT with Berendsen to reach equilibration before collision.But I do not know how to run relaxation in MS.Please guide me to do this

Thanks in advance

Sincerely

Li