DL_POLY * CementFF (id:17)

implementation id: 17

added on 2016-07-18 07:44:58.899242 by aslam


forcefield
code

version
1.9

description

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.


files