Look at these books: Allen, Tildesley. Computer simulation of liquids Frenkel, Smit. Understanding molecular simulation Leach A.R. Molecular modelling. Principles and applications
Alexandre Suman de Araujo [EMAIL PROTECTED] UIN: 6194055 IFSC - USP - São Carlos - Brasil [EMAIL PROTECTED] wrote: > Dear all, > My question is on the theory of MD. I actually could not find any material > which describes in detail about the time integration algorithm. > 1) I wanted to know why the time integration algorithm has to be used, > I mean the practical benefits of it. I want the reading reference for the > same. > 2) Also I have seen that there is no appropriate material which describes > practically, i mean in detail from the Newtons laws of motion (taking few > partiles as example and simulate it theoretically) and how the velocities, > positions etc are claculated. I need the material for the same. > Kindly give me the references for papers and tutorials. > with best wishes > Anwar > > ---------------------- > Mohd Anwaruddin > Project Assistant > C/o DR.H.A.Nagarajaram > Lab of Computational Biology and Bioinformatics > Center for DNA Fingerprinting and Diagnostics(CDFD) > Nacharam > Hyderabad-500 076 > INDIA. > Tel: +91-8413-235467,68,69,70 ext 2019 > [EMAIL PROTECTED] > ----------------------- > > > > - > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
