详细内容

力场链接


gaff:https://ambermd.org/antechamber/gaff.html

Amber:https://ambermd.org/AmberModels.php

opls:https://traken.chem.yale.edu/oplsaam.html

opls:https://traken.chem.yale.edu/ligpargen/

charmm:https://academiccharmm.org/tools

CVFF:http://www.uoxray.uoregon.edu/local/manuals/biosym/discovery/General/Forcefields/CVFF.html

Interface/CHARMM:https://bionanostructures.com/interface-md/

UFF:https://pubs.acs.org/doi/10.1021/ja00051a040

Dreiding:https://lammpstube.com/wp-content/uploads/2019/10/A-Generic-Force-Field-for-Molecular-Simulations.pdf

TRAPPE-small:http://trappe.oit.umn.edu/#small

ClayFF:http://www.sklogwiki.org/SklogWiki/index.php/CLAYFF_force_field

ClayFF:https://github.com/thomasunderwood/ClayFF

CL&P:https://github.com/paduagroup/clandp

CL&P:https://link.springer.com/article/10.1007/s00214-012-1129-7

FCC-Metal:https://www.nature.com/articles/s41524-020-00478-1


Interface/PCFF力场

https://github.com/hendrikheinz/INTERFACE-force-field-and-surface-models

https://bionanostructures.com/interface-md/


ZIF-FF力场

https://pubs.acs.org/doi/10.1021/acs.jpca.8b12311


ZIF-8力场

https://www.nature.com/articles/s42004-021-00613-z

https://pubs.rsc.org/en/content/articlelanding/2014/ra/c4ra00664j


PACMOF

https://github.com/snurr-group/pacmof

https://github.com/snurr-group

https://github.com/snurr-group/pacmof/blob/master/pacmof/pacmof.py

https://github.com/davidtangGT/pacmof



Madrid-2019:https://arxiv.org/abs/2401.11802

Merz:https://ambermd.org/AmberModels_ions.php


TraPPE:http://trappe.oit.umn.edu/

TraPPE:https://github.com/wesbarnett/trappeua

https://www.tandfonline.com/doi/full/10.1080/08927022.2017.1328597



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