Scientific software can be confusing, particularly when you're doing something that the software isn't primarily intended for.
I'm only familiar with GROMACS, should I consider switching to OpenMM? I primarily do stuff with proteins.
No opinion. I've also used Amber before, and AmberTools makes it a bit easier to do stuff like this... but OpenMM is in Python which is nice for scripting/package interoperability.
I'm only familiar with GROMACS, should I consider switching to OpenMM? I primarily do stuff with proteins.
No opinion. I've also used Amber before, and AmberTools makes it a bit easier to do stuff like this... but OpenMM is in Python which is nice for scripting/package interoperability.