This discussion focuses on creating a CONFIG file for DL_POLY, a molecular dynamics simulation software. Users are encouraged to refer to the manual for the specific format required for CONFIG files. Additionally, there is an inquiry about simulating a hydrophobic wall or membrane within DL_POLY, indicating a need for understanding boundary conditions and interactions in molecular simulations.
PREREQUISITESResearchers and practitioners in computational chemistry, molecular dynamics simulation specialists, and anyone involved in configuring simulations using DL_POLY.