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While doing my MD simulation, I used a thermostat to control the temperature of the system but there is a lot variation in the temperature of the system. So first I want to relax the system at a target temperature and then start the MD simulation. But I am confused on how to set a target temperature in geometry relaxation ?
Please let me know if any of us in this platform know the solution.
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Hello everyone,
While doing my MD simulation, I used a thermostat to control the temperature of the system but there is a lot variation in the temperature of the system. So first I want to relax the system at a target temperature and then start the MD simulation. But I am confused on how to set a target temperature in geometry relaxation ?
Please let me know if any of us in this platform know the solution.
Thank you!
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