From chemistry-request@ccl.net Tue Mar 23 08:14:17 2004
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Date: Tue, 23 Mar 2004 14:16:26 +0100
From: Lubos Vrbka <lubos.vrbka:at:uochb.cas.cz>
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Subject: pressure scaling
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dear ccl'ers,

could someone explain to me how the isotropic and nonisotropic pressure 
scaling in molecular dynamics work?

can i make big mistake if i use isotropic scaling (nonisotropic is not 
yet supported by pmemd) for non-isotropic system (solid-liquid interface)?

thanks for your help. regards,
lubos

-- 
.....................................................
Mgr. Lubos Vrbka

Center for Complex Molecular Systems and Biomolecules
Institute of Organic Chemistry and Biochemistry
Academy of Sciences of the Czech Republic
Prague, Czech Republic
.....................................................