Dear Carlos
When you add hydrogens in refmac they are used in geometry and
structure factor calculations. They are not used in refinement fully.
I.e. their contribution
is taken into account and but they do not contribute to gradients and
hessian.
regards
Garib
On 12 Feb 2007, at 03:42, Carlos Huerta wrote:
> Dear Everyone,
>
> I have performed an anisotropic restrained refinement in REFMAC5
> with hydrogens added, and later read there is no need to refine the
> hydrogens anisotropically. Is there a way to refine all atoms
> anisotropically except hydrogens in REFMAC5? I would like to keep
> the hydrogens during the refinement as they contribute to the R
> values.
>
> Sincerely,
> Carlos
>
>
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