I got the free charmm version which I want to use for setup of MD simulations. I can compile it and it tells me the "Maximum number of ATOMS:" is 360720. So I guess the default charmm size is xxlarge.
However I want to potentially setup larger systems...so I would like to compile a huge version. I tried several things but I just don't know how to setup the charmm size with the configure script and I couldn't find any documentation. Can anybody please tell me how to do this?
Thanks and best regards,