pressure profile

From: Ziemys, Arturas (Arturas.Ziemys_at_uth.tmc.edu)
Date: Thu Dec 03 2009 - 16:22:41 CST

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Hi,

I ask some clarification about the Pressure Profile (PP) calculation.

In order to get all the components of PP I must run PP calculation during (1) regular "on-line" MD job (kinetic,bonded,non-bonded parts), and (2) over saved trajectory (Ewald part). Is it right that full PP will be available just using this way ?

Best
Artuars

               
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Department of Nanomedicine and Biomedical Engineering (nBME)
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