AMBER Archive (2002)

Subject: Re: Save from LEaP to a PDBQ file ?

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> This requires a modified pdb file be set up
> which has a partial charge for each atom of
> the protein, usually in the B factor column.

% tleap
  ...
> set PdbWriteCharges on
  ...

Bill Ross

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• Next message: Prabal Maiti: "Re: PDB file with CONECT record"
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