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Topogromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD
Molecular dynamics (MD) simulation engines use a variety of different approaches for modeling molecular systems with force fields that govern their dynamics and describe their topology. These different approaches introduce incompatibilities between engines, and previously published software bridges...
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| Publicado no: | J Chem Inf Model |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5543333/ https://ncbi.nlm.nih.gov/pubmed/27196035 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00103 |
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