[gmx-users] Re: rotational correlation function
vvchaban at gmail.com
Thu Sep 23 02:40:42 CEST 2010
On Wed, Sep 22, 2010 at 7:47 PM, Paymon Pirzadeh <ppirzade at ucalgary.ca> wrote:
> Well, I found a paper: J. Chem Phys. Vol. 131, 155103 (2009) in which
> they have used GROMACS and its utilities to calculate the correlation
> functions I need, however, it is not clear to me what utilities were
> used and what steps were taken. Since They are using the N-H vector, it
> is only two points.
I believe the third point is another "N" or "H" site of the same protein.
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