GROMACS version: 2020.2
GROMACS modification: No
My question is related to my previous question Missing bonded calculation - running simulation on many nodes, rdd option
I run my simulation on many nodes. I would try to increase my rdd parameter to complete my simulation, but I don’t know if it is good to increase to a much higher value. I increase them to 1.8 or 2.0. Is it make any sense to increase it more? For example which maximum value of rdd you use in your GROMACS simulations? Because if it’s not worth I would probably simulate my system on one node on my computer and then try again on a supercomputer on many nodes.
Thanks in advance