VMD-L Mailing List
From: Jim Parker (jimparker96313_at_gmail.com)
Date: Thu Mar 20 2014 - 14:26:40 CDT
I am working through the tutorial on "Parameterizing a Novel Residue",
and working out the partial charges for my ligand of interest.
In the text, it mentions that "Several concrete examples of this
charge-fitting strategy are worked
out in Ref. "
and ref 7 is
 A. Mackerell.
Parametrization of molecules for use of charmm.
But the link is broken. I contacted psc, and they could not find the
tutorial anymore on their servers.
Does anyone know of an alternate link for the tutorial (or just email
Also, is this the same tutorial mentioned in the ParaTool user guide?
Section "Outline of parameterization scheme". The link is labeled
Alex Mackerell's parameter development
and the link is
Sadly, it is also broken...