Hello everybody, I was wondering if you could help with the following:
I have run the equilibration of a small molecule in Amber and I would like to take this output as my input to run simulations using the AMOEBA forfecield, but I do not know how to generate the topology and the required files from this point to work it out.
As additional information, I'm trying to do this in OpenMM, but I'm also open to other suggestions.
Thanks!