AMBER forcefield

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This page contains information about the AMBER forcefield. See the AMBER package for information about the computer code.
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AMBER forcefield [1].

Force field[edit]

Parameters[edit]

ff94[edit]

[2]

ff96[edit]

ff98[edit]

ff99[edit]

Param99 was developed for organic and biological molecules using the restrained electrostatic potential (RESP) approach to derive the partial charges: [3]

ff02[edit]

The ff02 force field is a polarisable variant of ff99. The charges were determined at the B3LYP/cc-pVTZ//HF/6-31g* level, and hence are more like "gas-phase" charges. [4]

ff02EP[edit]

References[edit]

External links[edit]