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 - 09:00:05 PDT
