About pressureProfile command for non-equilibrium system.

From: Boyang Wang (pkuwangboyang_at_yahoo.com.cn)
Date: Wed Jul 26 2006 - 19:50:20 CDT

Dear all.
 
 I have a simple question about command pressureProfile in the configuration file.
 
 From the way the pressure is calculated by NAMD, P=nkT/V- sum(Fij*Rij)/V,
 I believe its physical meaning also applies to a non-equilibrium system.
 
 However, the NAMD tutorial did not mention the pressure profile applicability to non-equilibrium systems.
 
 So does the pressure profile calculation directed by the command pressureProfile in the configuration file of NAMD apply to a non-equilbrium system, such as a system with continuous flow?
 
 Any experience or estimation will be greatly appreciated.
 
 I wish you all have a nice summer.
 
 Boyang.
 
                 
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עŻ-3.5G20M

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