Re: autopsf and hydrogen-sites

From: Peter Freddolino (
Date: Wed Oct 01 2008 - 07:59:00 CDT

If psfgen completed successfully, all hydrogens that should be there,
will be there. Do you have an example where this does not appear to be
the case?

Christine Horejs DI wrote:
> Dear All,
> I have a question concerning autopsf: Is it possible that a lot of
> hydrogens are missinig in the psf-file after applying autpsf to a
> protein's pdb-file? Is there a way to avoid that?
> Thanks for the help,
> Regards,
> Christine

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