Accepted temperature and pressure oscillation

From: cong chen (namd_chcwaaa_at_yahoo.com.cn)
Date: Wed Oct 31 2007 - 03:14:55 CDT

Hi, everyone!
     I am a newer to MD. I am using NAMD to simulation liquid water with the NPT ensemble. The temperature and pressure both oscillate during the simulation even after 10000 steps with a timestep of 2fs. The ranges of temperature and pressure oscillation are 290K - 310K and -24bar-17bar, respectively. The desired temperature and pressure are 298.15K and 1.01325bar, separately. I wonder what's the accepted ranges of temperature and pressure oscillations during a simulation with the NPT ensemble?
     I would be grateful if someone could give me some advice.

Best Regards!
 
yours,
Cong Chen
 
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Cong Chen, Ph. D. Student
Department of Energy and Power Engineering,DaLian University of Technology
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