AMBER Parameter Database
Submission of New Parameters to Database
To submit parameters, please supply four items of information:
- PREP or OFF file
A file containing the molecule/residue/ion.
This provides information about the assigned atom types and atomic charges. For this, either a LEAP OFF (Object File Format) or PREP file are required.
- FRCMOD or FRCFLD file
A set of parameters for the molecule/residue/ion.
For this, a FRCMOD file is preferred, although an adjusted FRCFLD file will also be accepted.
- Literature reference
to provide some information about the derivation and application of the parameters.
- Comments on parameters
Please let us know who developed them (it would be helpful to include an email address or link to your website). There may also be additional remarks about the parameters that you wish to include eg. how they were created, what they were used for and known limitations.
Please email this information to R.A.Bryce@manchester.ac.uk.
The parameters will then be added to the database and will be accessible to other AMBER users.
Last modified 22 Oct 2008