TY - JOUR
T1 - Molecular dynamics simulation of the dipalmitoylphosphatidylcholine (DPPC) lipid bilayer in the fluid phase using the Nosé-Parrinello-Rahman NPT ensemble
AU - Shinoda, Wataru
AU - Fukada, Takashi
AU - Okazaki, Susumu
AU - Okada, Isao
PY - 1995/1/13
Y1 - 1995/1/13
N2 - 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.
AB - 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.
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U2 - 10.1016/0009-2614(94)01352-V
DO - 10.1016/0009-2614(94)01352-V
M3 - Article
AN - SCOPUS:0001069207
SN - 0009-2614
VL - 232
SP - 308
EP - 312
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 3
ER -