GROMACS version:2020.7 gpu
GROMACS modification: No
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I am planning to simulate a lipid bilayer(DPPC) with high resoluiton trajectory, to get the IR spectra of bond vibrations. I have seen that the thermostat and barostats affects the vibration of bonds, hence planning to do an NVE simulation. But for a larger system like lipid bilayer and water with 256 lipids and 15360 water and almost 80000 atoms or 180k atom systems, will the NVE work properly in NVE or what things should I observe to check that whetherthe simulation is running well or not.