AMBER Archive (2002)

Subject: Re: literature for NVE

From: Khatcharin Siriwong (siriwong_at_theochem.tu-muenchen.de)
Date: Mon Aug 12 2002 - 11:19:03 CDT

Dear Prof. David Case,

Thank you very much for your suggestion.

Best Regards,
Khatcharin

"David A. Case" wrote:
>
> On Mon, Aug 12, 2002, Khatcharin Siriwong wrote:
> >
> > Could anyobe let me know the literature which describe about using Amber
> > with NVE ensemble? I would like to know why people use NVE, in stead of
> > NPT.
> >
>
> People mostly use NVE when they are interested in the dynamical behavior
> of the system, since thermostats and pressure pistons distort the dynamics (to
> some extent).