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New faster CHARMM molecular dynamics engine
We introduce a new faster molecular dynamics (MD) engine into the CHARMM software package. The new MD engine is faster both in serial (i.e., single CPU core) and parallel execution. Serial performance is approximately two times higher than in the previous version of CHARMM. The newly programmed para...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BlackWell Publishing Ltd
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3966901/ https://ncbi.nlm.nih.gov/pubmed/24302199 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23501 |
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