Hydrogen bonding time correlation function of a hydrogen atom. I think it
is position correlation function !
On Thu, Oct 22, 2015 at 5:56 PM, Adrian Roitberg <roitberg.ufl.edu> wrote:
> What do you mean by the time correlation of one atom ?
>
> The atom's position, its velocity, or what ?
>
> adrian
>
>
> On 10/22/15 11:54 AM, Hadeer ELHabashy wrote:
> > Dear Sir
> >
> > wish you are fine !
> >
> > Actually, I want to calculate the time correlation function of one atom H
> > for example C(t)=<H(t)-H(0)>
> >
> > However, " timecorr" allow me only to calculate the time correlation
> > function of a vector of two atoms or of two vectors .
> >
> > Is there any method in AMBER to calculate it for one atom?!
> >
> > Regards
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>
> --
> Dr. Adrian E. Roitberg
> Professor.
> Department of Chemistry
> University of Florida
> roitberg.ufl.edu
> 352-392-6972
>
>
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Received on Thu Oct 22 2015 - 09:30:03 PDT
