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Orac is a classical molecular dynamics computer program (written in FORTRAN language) for simulating complex molecular systems at the atomistic level. The code was written originally in 1989-90 by Massimo Marchi during his stay at IBM, Kingston (USA). The code was further developed at CECAM in 1995 and released under the GPL license in 1997.〔 〕 The latest release 〔 〕 of Orac may be run in parallel using the standard Message Passing Interface libraries, allowing replica exchange simulations, multiple walkers metadynamics〔 〕 simulations and multiple steered molecular dynamics〔 〕 nonequilibrium trajectories. ==References== 抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)』 ■ウィキペディアで「Orac (MD program)」の詳細全文を読む スポンサード リンク
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