Bill,
Thank you for reply. So that means I cannot loadpdb at any condition except I
draw a new one in the XLEAP adn load it? Is it possible to check what happened
to my original pdb file after I got the pdb file?
Lan
Quoting Bill Ross <ross.cgl.ucsf.edu>:
> > *I cannot load the pdb file into the xleap without loading
> > the prep file after I got the charges and atom types from ANTECHAMBER?
>
> Exactly - the prep files are the templates to which the pdb
> residues are matched, so must be loaded before the pdb. If
> this is not done, new, parameterless residues are created
> for the ones that lack templates.
>
> Bill Ross
>
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Received on Wed Jan 14 2004 - 15:53:08 PST
