AMBER Archive (2009)

Subject: Re: [AMBER] ZPVE simple question

• Previous message: ondrej.prenosil_at_marge.uochb.cas.cz: "[AMBER] ZPVE simple question"
• In reply to: ondrej.prenosil_at_marge.uochb.cas.cz: "[AMBER] ZPVE simple question"
• Next in thread: case: "Re: [AMBER] ZPVE simple question"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

It's the Zero Point Vibrational Energy.
If you imagine a harmonic potential energy surface, it represents the difference
between the bottom of the surface and the first (quantified) vibrational energy
state.
Best
Jerome

Selon ondrej.prenosil_at_marge.uochb.cas.cz:

> Hello Amber people,
>
> my question is very simple - what units is ZPVE (from nmode) calculated in?
> Thanks a lot!
> Have a nice day.
>
> Andrew
>
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>

-- 
Jérôme Golebiowski, Ph D. HDR, Asst. Pr.
LCMBA
 UMR 6001 CNRS - University of Nice Sophia Antipolis
Molecular Modeling Team
06108 Nice cedex 2, France
tel: +33 (0)4 92 07 61 03
http://www.unice.fr/lcmba
http://www.unice.fr/lcmba/golebiowski
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

• Previous message: ondrej.prenosil_at_marge.uochb.cas.cz: "[AMBER] ZPVE simple question"
• In reply to: ondrej.prenosil_at_marge.uochb.cas.cz: "[AMBER] ZPVE simple question"
• Next in thread: case: "Re: [AMBER] ZPVE simple question"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]