On Wed, Feb 05, 2014, Vijay Manickam Achari wrote:
>
> I wish to seek some help for calculating rotational diffusion for a
> small portion of my lipid in a lipid bilayer.
> rotdif nvecs 1000 ref [avg] :1.C21, C24 \
^^^^^^^^^^^^^
This might be the problem: there should not be a space in the atom
mask. Be sure that (once that is corrected) you have at least four atoms
in the <refmask> -- you need that to get well-defined rotation matrices.
...good luck....dac
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Received on Wed Feb 05 2014 - 05:00:03 PST
