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).
Received on Mon Aug 12 2002 - 09:19:03 PDT
