Thanks a lot for the ultrafast response and help above all.
Arik
On 11/18/2011 4:57 PM, Bill Ross wrote:
>> 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 - 17:30:03 PST
