Paper Citing NAMD - Abstract
Pedersen, Ulf R.; Peters, Gunther H.; Schroder, Thomas B.; Dyre, Jeppe C.
Volume-energy correlations in the slow degrees of freedom of computer-simulated phospholipid membranes
COMPLEX SYSTEMS, 982:407-409, 2008
Molecular dynamics simulations of phospholipid membranes reveals striking correlations between equilibrium fluctuations of volume and energy on the nanosecond time-scale. Volume-energy correlations have previously been observed experimentally at the phase transition between the L-alpha phase and the L-beta phase, but not in the fluid L-alpha phase. The correlations are investigated in four membranes, with correlation coefficients ranging between 0.81 and 0.89. An experimentally single parameter test is proposed.
