Background: I have been running a large number of MD simulations in in the 2022 build of Amber for the last two years, as it is what I had available on my local supercomputer center. Recently, that center added a large number of new compute nodes with more, and faster GPUs.
Problem: I want to utilize these new nodes as they would drastically increase my throughput, but only AMBER24 is available at this time.
Question: Can I switch Amber MD versions (AMBER22 -> AMBER24) mid-project without undermining the integrity of my research?
Other than the application version change, everything else will remain the same (e.g., ff parameters, running on pmemd.cuda, etc.). My goal is to publish this work eventually, and I don't want to do anything that will come back to haunt me!
In the background I am trying to get a version of AMBER22 installed, but its a slow process as the technical support is busy with higher priority issues associated with setting up the new cluster, and I only have user level permissions.
I'm not familiar enough with the inner workings of these systems to make the judgement myself.