On Fri, Jun 29, 2012, houcemeddine othman wrote:
>
> I use xleap to build a PCA residue in my protein tail. When I try to
> load my molecule to xleap after assigning the force field parameters,
> I find that the program did not add the hydrogen atoms to the
> protein.
As usual, we need more details. What commands did you use to load the
molecule into tleap or xleap? If you used a pdb file, does it have hydrogens,
and with the proper names?
xleap and tleap share most of their code, and only differ in the graphical
part. They load molecules in an identical way. I suspect that you are
telling us what you intended to do (or thought you did), but not exactly what
you really did, and what you saw. Look carefully at any messages that tleap
or xleap print out, especially at the loadPdb stage.
....dac
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Received on Fri Jun 29 2012 - 05:30:03 PDT
