Dear Accelrys Materials Studio Users,
I'm trying to calculate the radial distribution function (RDF) between a set of polymer centroids (in solution) over time to try to understand if they're aggregating or not. For simplicity I have made the following diagram not showing centroids or the solvent molecules. Consider the dark line around the left most molecule a user defined interaction cut-off.
When I calculate the RDF through the Forcite Analysis tab, does the built-in script automatically:
1) Account for situations where a molecule may be in the cut-off distance, but on the other side?
2) Correct for distances?
3) Only consider the main image and not any periodic symmetry species?
Currently I am running some trials without the use of scripting; however, should the need arise, I am comfortable implementing scripted solutions as well.
Awaiting your kind responses.
