MD or MC

[noy at.at tci005.uibk.ac.at (Noy)]

 Dear CCL readers,
 	I still remember the earlier time when I just started coming
 into the computer simulation field, observing colleagues running
 molecular dynamics and Monte Carlo program. I was so surprised that
 MD could collect many picoseconds in a day (some finished in an hour
 on IBM RS6000) while another mate stopped his MC in a week.
 	Unfortunately, more CPU time doesn't mean more results and
 the dynamic properties owe its availability to MD.
 	Which one, MD or MC, you will select if CPU time-constraint
 is imposed ? Both methods explore the phase space but MD seems to
 go ahead much faster. If the efficiency is one thing to think about
 MD is preferred since it never rejects the configuration. What is
 the advantage of MC and this should explain its survival through the
 year 2000.
 						take care,
 						Teerakiat
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 Teerakiat Kerdcharoen (NOY)
 Institute of General and Inorganic and Theoretical Chemistry
 Innrain 52a, A-6020 Innsbruck AUSTRIA
 e-mail:  noy at.at tci2.uibk.ac.at, noy at.at tci5.uibk.ac.at
       :  noy at.at atc.atccu.chula.ac.th, noy at.at atc2.atccu.chula.ac.th (
 Bangkok )
 Research :  Molecular Dynamics simulations
          :  Computer Aided Molecular/Material Designs
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 ***  I still remember that night in Bangkok.