[gmx-users] RE: NVT or NPT ?

Vitaly Chaban vvchaban at gmail.com
Wed Feb 18 10:04:33 CET 2009

>I read some papers and it seems that more simulation system is under NPT.
>What is the benefit for running MD under NPT?

Not every model gives a correct (experimental) density using NPT.

Vitaly V. Chaban, Ph.D. (ABD)
School of Chemistry
National University of Kharkiv
Svoboda sq., 4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

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