Green - Freeware/Shareware Red - Costware
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Link |
Comments |
| AMBER Parameter Database | Parameters for use with the AMBER force field are archived at this site and may be freely downloaded. |
| Direct Force Field | Aeon has developed a unique product, Direct Force Field™, that can be used to build molecular mechanics force fields automatically when existing force fields are insufficient or inaccurate. |
| R.E.D. | R.E.D. (Resp Esp charge Derive) calculate automatically 'RESP' and 'ESP' charges starting from an un-optimized PDB structure. R.E.D. sequentially executes (i) either program "GAMESS" or program "Gaussian" to minimize the studied structure and to compute the corresponding Molecular Electrostatic Potential, and (ii) program "RESP" to fit the atom-centered charges to the grid previously determined. |
| R.E.D.DB | A database of charges for molecules. |