> Checking for bond parameters.
> Could not find bond parameter for: C - o
> Checking for angle parameters.
> Could not find angle parameter: O - C - o
> Could not find angle parameter: C - o - c
> Could not find angle parameter: CT - C - o
> There are missing parameters.
>
>
> My prep file is:
> This is a remark line
> molecule.res
> HPD INT 0
> CORRECT OMIT DU BEG
> 0.0000
> 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000
> 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000
> 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000
> 4 O7 o M 3 2 1 1.540 111.208 180.000 -0.514169
>
Note that in your pdb, your HPD residue probably follows another
residue that ends with CT-C types. If you don't want a bond between
these atoms, you need a TER card between the residues. If you do
need a bond, you have to provide the missing parameters.
Bill
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Received on Fri Nov 18 2011 - 17:00:03 PST
