Subject: Re: CCL:intro text on MD

From: Fernando Luis Barroso da Silva <[email-masked]>
Date: Thu, 18 Feb 1999 10:05:32 +0100 (CET)

On Wed, 17 Feb 1999, Goutam Das  wrote:

> Dear CCLer's:
> 
> I would deeply appreciate if anyone of you could refer me to introductory
> texts (suitable for self study) on performing molecular dynamics
> simulations, suitable at the undergrad/adv undergrad/beginning grad levels
> and also refer me to relevant websites containing educational material.
> (Articles from J. Chem Educ would be helpful as well!) I would also like to
> know if there are free PC/Mac software downloadable from the web to  do
> these.  Any and every help will be appreciated.
> 
> Thank you in advance.
> 
> Goutam Das
> 

  Hi Goutam,

  You may wish to look into the following references:

  [1] D.Frenkel and B.Smit, "Understanding Molecular Simulation - 
  From algorithms to applications", Academic Press, 1996. (You can also
  try to check http://www.hpcn.tudelft.nl/frenkel_smit.html)

  [2] M.P.Allen and  D.J.Tildesley, "Computer simulation of liquids",
  Clarendon Press, Oxford, 1987 (Sometimes people call this book
  "the bible").

  [3] O.Teleman, B.Jonsson and S.Engstrom, J.Chem.Educ.70,p.641
  (1993). 

  [4] http://gserv1.dl.ac.uk/CCP/CCP5/main.html

  [5] http://antas.agraria.uniss.it/

  / Fernando.

--

Fernando Luis Barroso da Silva
Physical Chemistry II - Chemical Center  
POB 124 - Lund University                  Fax: +46 (46) 2224543
S-221 00 Lund, Sweden                    Phone: +46 (46) 2228241 (lab)
E-mail: [email-masked]             +46 (46) 2220381 (office)
        [email-masked] 

         http://www.fkem2.lth.se/personnel/fernando/dasilva.html
         http://idefix.ffclrp.usp.br/barroso/fernando.html