On Tuesday, 24 July 2012, wtempel wrote:
> CCP4ers,
>
> a log file from Refmac_5.7.0027 presents me with this line:
>
> <fromLog>
> Problem with the ADP of the atom N A 3 ADP is non-positive
> -1.7740907E+35
> </fromLog>
>
> I did not explicitely refine ADPs or TLS.
> Should I modify my model when I encounter such a message? If yes, does the
> message refer to a specific atom, such as atom N of residue 3 in chain A? I
> should note that that atom is omitted from my model due to lack of electron
> density/disorder.
What do you mean by "omitted from the model"?
Are there no ATOM records for that residue in the PDB file?
What are the B factors for the other atoms in that region?
Ethan
>
> Many thanks in advance,
> Wolfram Tempel
>
