From: Wei Li <wl...@au...> - 2012-07-21 04:00:30
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Hi all, I am looking into files like AMBER.DAT under \pdb2pqr-1.8-original\dat\ dir. Could someone give me some clue as to where these DAT files are imported and used in the pdb2pqr code? For titratable residues, does the charge data of a certain atom correspond to a complete protonation state of the titratable sidechains on the residues? Many thanx. Regards. -- liwei |