Force Fields and Simulation Engines: Lessons Learned from Porting Amber ff14SB and ff19SB to GROMACS

Vedran Miletić, Miłosz Wieczór, Carlos Simmerling, Markus Rampp, Bert L. de Groot, Carsten Kutzner, Vytautas Gapsys

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DOI
10.1021/acs.jctc.6c01592
Published
2026-10-20
Container
Journal of Chemical Theory and Computation
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jctc.6c01592,
  title = {Force Fields and
Simulation Engines: Lessons Learned
from Porting Amber ff14SB and ff19SB to GROMACS},
  author = {Vedran Miletić and Miłosz Wieczór and Carlos Simmerling and Markus Rampp and Bert L. de Groot and Carsten Kutzner and Vytautas Gapsys},
  year = {2026},
  journal = {Journal of Chemical Theory
and Computation},
  doi = {10.1021/acs.jctc.6c01592},
  url = {https://doi.org/10.1021/acs.jctc.6c01592}
}

RIS

TY  - JOUR
TI  - Force Fields and
Simulation Engines: Lessons Learned
from Porting Amber ff14SB and ff19SB to GROMACS
AU  - Vedran Miletić
AU  - Miłosz Wieczór
AU  - Carlos Simmerling
AU  - Markus Rampp
AU  - Bert L. de Groot
AU  - Carsten Kutzner
AU  - Vytautas Gapsys
PY  - 2026
JO  - Journal of Chemical Theory
and Computation
DO  - 10.1021/acs.jctc.6c01592
UR  - https://doi.org/10.1021/acs.jctc.6c01592
ER  - 

APA

Miletić, V., Wieczór, M., Simmerling, C., Rampp, M., Groot, B. L. D., Kutzner, C., & Gapsys, V. (2026). Force Fields and Simulation Engines: Lessons Learned from Porting Amber ff14SB and ff19SB to GROMACS. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c01592

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