Author/Authors :
Shinoda، نويسنده , , Wataru and Fukada، نويسنده , , Takashi and Okazaki، نويسنده , , Susumu and Okada، نويسنده , , Isao، نويسنده ,
Abstract :
A dipalmitoylphosphatidylcholine (DPPC) bilayer could successfully be simulated in the Nosé-Parrinello-Rahman NPT ensemble from an arbitrarily generated crystal-like initial configuration. The initial condition dependence may be small and various artefacts, which were found in molecular dynamics calculations with rectangular cells, could be avoided.
