Re: Save from LEaP to a PDBQ file ?

From: Bill Ross <photoriot_at_yahoo.com>
Date: Thu 11 Apr 2002 23:16:28 -0700 (PDT)

> 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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Received on Thu Apr 11 2002 - 23:16:28 PDT
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