Hi all, I am running (NVT) simulations of a drop of water (~5 nm in radius) in a big box (~25 nm) in a box and find that the simulations are rather slow. I am getting about 0.8 ns per day when a simulation of bulk system of equivalent number of waters will be much faster. The number of waters is ~12000. I was wondering if anyone can suggest methods with which I can speed up the simulations. I am using particle decomposition and optimize_fft is set to yes. PME is used for the electrostatics. I currently use 16 processors for the simulation.
Thank you for your help and suggestions. Sincerely Sapna
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