ADL: non integral charge with more than one flexible residues

Ana Margarida amdr33 at
Wed Oct 24 08:22:02 PDT 2007

Hi everyone,

I have a problem: Every time i try to make a docking selecting more than one flexible residue i get a message of non integral charge. I tried to correct these residues but there are no atoms missing or to repair. should i ignore the value that that it gives me (-5,....). I am using MGLtools1.4.6.



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