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공공누리This item is licensed Korea Open Government License

Title
A general purpose molecular dynamics simulation program
Author(s)
오광진
Publication Year
2006-04-01
Abstract
We present a general purpose parallel molecular dynamics simulation code. The code can handle NVE, NVT, and NPT ensemble molecular dynamics, Langevin dynamics, and dissipative particle dynamics. Long-range interactions are handled by using the smooth particle mesh Ewald method. The implicit solvent model using solvent-accessible surface area was also implemented. Benchmark results using molecular dynamics, Langevin dynamics, and dissipative particle dynamics are given.
Journal Title
computer physics communication
Citation Volume
174
ISSN
0010-4655
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Appears in Collections:
7. KISTI 연구성과 > 학술지 발표논문
URI
https://repository.kisti.re.kr/handle/10580/13639
http://www.ndsl.kr/ndsl/search/detail/article/articleSearchResultDetail.do?cn=NART27604349
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