Hello,I am trying to do NVE simulation, for that I am first
properly equilibrating the system by energy minimisation and long NVT, NPT
simulations. For NVE I set the thermostat and barostat to No. Ideally, the
systems total energy should not change, but my system energy is gradually
decreasing and after long run everything is freezing, temperature and all three
energies (KE, PE and TE) are reducing. What might be the problem, please help-
Yogesh Sent using Zoho Mail
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