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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Jun 11 2004 - 19:53:00 PDT
