On the hydrogen bond structure of water at different densities

The effect of pressure on the water properties is an interesting matter not only because of the so-called 'abnormal' behaviour but also because it has a deep influence on different situations which are particularly important in biological systems. We have studied the hydrogen bond distribution on SPC/E water model at different pressures by means of molecular dynamics simulation. The behaviour of the self-diffusion coefficient and hydrophobic interaction was analysed focusing on the modification of hydrogen-bond distribution by pressure effects. We suggest an explanation based on hydrogen-bond distribution for these two seemingly unconnected phenomena. (C) 2004 Elsevier B.V. All rights reserved.