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Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations
The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, lar...
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| Published in: | J Chem Phys |
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| Main Authors: | , , , , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
AIP Publishing LLC
2016
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4733083/ https://ncbi.nlm.nih.gov/pubmed/26827207 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4939532 |
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