Hi,
I'll shift the discussions to the mailing list now. Please see below:
Thank you for the workaround! Is this fix already in the SVN now?
Yes. You will have to do the standard 'svn co
http://svn.gna.org/svn/relax/trunk relax-trunk' or 'svn up', or wait
for relax 3.0.1 to be released.
It's a shame that AMBERs "reduce" generates faulty files. I actually liked
using it because it makes a few little adjustments after adding the
hydrogens.
But if this gives me de facto corrupted files I maybe just should use the
attach_protons function of relax!
Note these are not equivalent. The relax attach_protons function does
not create atomic coordinates for the new protons whereas AMBER's
does. This means that you cannot use it for the spheroidal or
ellipsoidal diffusion tensors in a model-free analysis. You should
understand how AMBER places these protons and how other programs do
this too. I hope that one day relax will be able to do this, but that
will require a volunteer to add the algorithm.
Probably the conformational differences are too small to make a real
difference in the subsequent MF analysis, given how large the actual errors
of
my rates etc actually are. I will look into this and if there's any
difference, report back here.
I unfortunately don't understand what this means. But if you mean
bond vector orientations, the relaxation rates are highly sensitive to
these even with low levels of anisotropy.
Regards,
Edward
Re: [bug #21187] "NoneType" error message while loading side chain amide protons