pressure scaling
- From: Lubos Vrbka <lubos.vrbka:at:uochb.cas.cz>
- Organization: IOCB
- Subject: pressure scaling
- Date: Tue, 23 Mar 2004 14:16:26 +0100
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
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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
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