Submission of New Parameters to Database

• 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, see Manual) or PREP file (see Manual) are required.

• FRCMOD or FRCFLD file
  A set of parameters for the molecule/residue/ion.
  For this, a FRCMOD file is preferred (see Manual for format), although an adjusted FRCFLD file (see Manual for format) 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.