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Contents
&General - &EndGeneral
The header defines common properties of the RDFs/potentials provided in the file. Since
individual RDF/potential records can be included from external files, the header section provides
important information which helps to provide consistency between all records.
- NTypes
- - Number of bead/atom types present in the system.
- N_NB, N_B, N_A
- - Number of Non-Bonded, pairwise Bonded, and Angle-bending records, respectively
- NPoints
- - Number of points in each NB-record.
- Min, Max
- - Range of distance (in Å) where Non-Bonded RDF/Potentials are defined
Alexander Lyubartsev
2016-05-03