On Mon, Aug 09, 2010, Karan Mehra wrote:
>
> When I try to prepare a prmtop and crd file for a pdb (2CRT) the following
> error messages occur:
>
> Error: can't find parameter for bond CT-O
You don't give many details about exactly what you did. A CT-O bond would
likely be in an ether or something(??), which doesn't exist in a standard
protein. So you should probably look at the ligands or other non-standard
parts of the PDB file. If you don't see the problem, you have to give
details; remember the general rule: don't say what you intended to do ("try to
prepare a prmtop and crd file...."), but way what you actually did (e.g. "ran
tleap with these commands") and what the error messages were.
....dac
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Received on Tue Aug 10 2010 - 05:00:05 PDT
