--- trunk/mattDisertation/Conclusion.tex 2004/02/04 20:22:16 1020 +++ trunk/mattDisertation/Conclusion.tex 2004/03/05 22:16:34 1087 @@ -1,4 +1,42 @@ \chapter{\label{chapt:conclusion}CONCLUSION} -The End. +This dissertation has presented the work and research I have +accomplished in the past five years. Chapt.~\ref{chapt:RSA} +illustrates one of the first problems I had applied myself to. Given a +relatively simple model, could we account for the differences seen in +experiment? By using the methods described in Monte Carlo modeling, I +was able to write several simulations that provided a clear +explanation for the majority of the experimental evidence. + +Later in Chapt.~\ref{chapt:oopse} I present the work I had to do in +order to solve more complex research problems. It became clear, after +the work on the RSA simulations, that even simple simulations can take +a great deal of programming. If I were to simulate the bilayer +simulations I wanted to investigate, a sophisticated molecular +modeling package was needed. After examining the options available at +the time, writing an advanced simulation suite was the best method +of accomplishing my goals. + +Working with my colleagues we have developed {\sc oopse} to the point +where it is capable of many unique simulation features. It properly +integrates rigid body dynamics. It has the capabilities to model +dipoles rather than point charges only. It can use the MPI interface +to calculate the long range forces across multiple processors. And +lastly, it is open source, so that other scientists may use the code, +and contribute back to the project to enhance the package. + +Lastly Chapt.~\ref{chapt:lipid} presents the research for which I +originally set about the development of {\sc oopse}. The lipid model +was under continual development while {\sc oopse} was being +designed. In fact many of the integration ensembles in {\sc oopse} +were specifically written to continue development of the lipid +model. The set of simulations presented in the chapter proved that the +model was capable of spontaneously forming bilayers. It also explored +the properties of the bilayers formed over a range of +temperatures. Further extensions to the model will likely include +exploration of dipole strength on the head as well as varying chain +configurations (one chain versus two chains, etc.). However, at this +point there are many questions that can now be explored with this model +such as the inclusion molecules to diffuse through the bilayer, or +perhaps exploration of special phases such as the ripple phase.