I would be very grateful if someone could recommend a way to plot RDFs for NPT ensemble molecular dynamics simulation results.
I use CP2K to run NVT simulations and usually use VMD to process results, but I don't see a way in VMD to deal with NPT results, where the volume is different at each time step. I'm hoping that someone can recommend a piece of software that can deal with my CP2K output (i.e., a position file in terms of atomic xyz coordinates and a file that contains volume output) on a Mac or Linux system.
I have spent several hours online looking for a solution, but haven't even come across discussions of this problem. This seems odd so maybe I'm using the wrong search terms. If anyone can point me to online discussions of this issue, that would be great.
I'm also not having much luck tagging this question! If anyone knows of any molecular dynamics-related tags I could use to reach people or perhaps of a more appropriate StackExchange site, I would welcome any suggestions. Thank you.