三大力场顺序应该是Amber, Charmm, OPLS-AA.

Charmm力场：

能量形式：

多了一项Urey-Bradley，是charmm的特色，反映的是bond-angle vibration between a triplet of atoms.

1998年：Charmm22是和charmm package version 22一起发布的。

https://pubs.acs.org/doi/abs/10.1021/jp973084f

提到了当时的力场情形：Recently, Kaminski and Jorgensen have stressed the importance of the correct representation of liquid properties by molecular mechanics force fields. They made comparisons of a new OPLS all-atom force field, AMBER 94, and MMFF. The best agreement for liquid NMA was obtained for the OPLS force field; the calculated values ∆H_vap = 13.61 kcal/mol and a molecular volume of 133.8 ų are almost identical to those reported here.

gromacs软件包里的是charmm27 with cmap.

2001年：扩展到nucleic acids，称为charmm27：

https://onlinelibrary.wiley.com/doi/full/10.1002/1097-0282%282000%2956%3A4%3C257%3A%3AAID-BIP10029%3E3.0.CO%3B2-W

2004年：with the CMAP backbone correction：

https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.20065

对于TRP的CA-C，对应CT1-C. bond interaction为b0=0.149 ,k_b=209200.0. CA的电荷为0.07，均来自charmm22文章。

【发展】

CHARMM22*，类似ff99SB*, with newly modified backbone torsion potentials done by DE Shaw.

2009: CHARMM General Force Field (CGenFF): for drug-like molecules

https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.21367

2012，charmm36:

https://pubs.acs.org/doi/10.1021/ct300400x

【近期应用】

2013年：https://pubs.acs.org/doi/10.1021/jp401563n

and they say:

“We found that AMBER does not predict any β-sheet structure, whereas GROMOS favors antiparallel β-sheet structures, and OPLS predicts diverse structures. The impact of all-atom force fields on the stability of preformed β-sheet oligomers has also been discussed.”

说明charmm27 and tip3p也是可以的。