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A protocol for preparing explicitly solvated systems for stable molecular dynamics simulations
Before beginning the production phase of molecular dynamics simulations, i.e., the phase that produces the data to be analyzed, it is often necessary to first perform a series of one or more preparatory minimizations and/or molecular dynamics simulations in order to ensure that subsequent production...
Guardat en:
| Publicat a: | J Chem Phys |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
AIP Publishing LLC
2020
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7413747/ https://ncbi.nlm.nih.gov/pubmed/32770927 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0013849 |
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