Have you looked at the long bond in your pdb file?
Try 'desc NMET' in leap to see correct atom names, and edit the 'H' atom
name in the pdb resideu 82 NMET to have the right name.
Bill
On 8/28/17 9:03 AM, Ashok Kumar wrote:
> Dear All,
>
> I want to create topology file for protei-ligand complex, but it
> display the below error
>
> WARNING: There is a bond of 3.672093 angstroms between:
> ------- .R<NMET 82>.A<C 18> and .R<NMET 82>.A<CA 5>
> WARNING: The unperturbed charge of the unit: -2.000000 is not zero.
> FATAL: Atom .R<NMET 82>.A<H 20> does not have a type.
> Failed to generate parameters
> Parameter file was not saved.
>
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Received on Mon Aug 28 2017 - 09:30:03 PDT
