Abstract
Abstract It is just 25 years since one of us submitted a Thesis describing molecular dynamics simulations which had been performed on the Atlas computer in London [1]. The Atlas occupied the whole ground floor of a large building at the London Institute of Computer Science in Gordon Square, and was one of only two computers in the UK at the time capable of serious MD simulations. Typically, an MD computation reported in 1970 for the equilibrium properties of one V-T state point of a 108-molecule system would use tens of hours of low-demand cpu-time every weekend (free to University ‘large users’), and would take several months! The commercial cost of one such computation in real terms would now be £millions!
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