esds reporting on Get_distance involving H-atoms in TA V6

lksbath

Hi all,
I would like the esds to be output for Get_distance on distances involving hydrogen atoms but I cannot get this to work in v6. Esds are output on the hydrogen atom x y z positions but these do not carry across to the Get_distance. Is it possible to do this? I did have esds previously when using v5 and v4.1 (though I had some problems initially using v5, there is a previous post from me about this on the forum).

Thanks,
Lucy

lksbath

One fix: I've found that when using do_errors and Out_CIF_crystalmaker in my inp, the generated .cif has esds on the bond distances when opened in Mercury and 'measure distances' is used.