Simulating a liquid (DL_FIELD, DL_POLY, DL_ANALYSER)ΒΆ
This is an exercise in simulating a box of liquid ethanoic acid from preparing the model and system set-up parameters, through running a molecular dynamics simulation, to analysing the results.
This is an exercise in simulating a box of liquid ethanoic acid from preparing the model and system set-up parameters, through running a molecular dynamics simulation, to analysing the results.