MOLECULAR-DYNAMICS SIMULATION OF THE DIPALMITOYLPHOSPHATIDYLCHOLINE (DPPC) LIPID BILAYER IN THE FLUID-PHASE USING THE NOSE-PARRINELLO-RAHMAN NPT ENSEMBLE

Authors
SHINODA W FUKADA T OKAZAKI S OKADA I
Citation
W. Shinoda et al., MOLECULAR-DYNAMICS SIMULATION OF THE DIPALMITOYLPHOSPHATIDYLCHOLINE (DPPC) LIPID BILAYER IN THE FLUID-PHASE USING THE NOSE-PARRINELLO-RAHMAN NPT ENSEMBLE, Chemical physics letters, 232(3), 1995, pp. 308-312
Citations number
22
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
232
Issue
3
Year of publication
1995
Pages
308 - 312
Database
ISI
SICI code
0009-2614(1995)232:3<308:MSOTD(>2.0.ZU;2-N
Abstract
A dipalmitoylphosphatidylcholine (DPPC) bilayer could successfully be simulated in the Nose-Parrinello-Rahman NPT ensemble from an arbitrari ly generated crystal-like initial configuration. The initial condition dependence may be small and various artefacts, which were found in mo lecular dynamics calculations with rectangular cells, could be avoided .