implementation id: 17
added on 2016-07-18 07:44:58.899242
DLPOLY calculations require three input files : CONFIG, CONTROL and FIELD.
CONFIG: Structure file in DLPOLY format
CONTROL: File containing the Molecular dynamics parameters and details set.
FIELD: Force field parameters
A sample CONFIG file and CONTROL file are uploaded. FIELD file for Galmarini CEM1 can also be found. All the calculations using this implementation utilises the FIELD file uploaded. CONTROL file used for a particular calculation will be slightly different from the one shown here.