AMBER Archive (2004)

Subject: Re: AMBER: PBCAL in mm-pbsa calculation

From: Thomas Steinbrecher (steinbrt_at_scripps.edu)
Date: Fri Jun 11 2004 - 13:00:17 CDT

Hi,

you didn't say if you use delphi or pbsa for PB.

If you use Delphi, be sure that your *.crg-file contains the correct
partial charges, residue and atom names for your ligand in the correct
columns.

Regards,

Thomas

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