[Dock-fans] charge method

Mary Varughese maryvj1985 at gmail.com
Wed Sep 18 20:06:30 PDT 2013


Is there any way so that i can use the partial atomic charges (as mol2
file)derived from gaussian calculation in docking? There is some difference
in charges. It may affect the derived conformation of the complex from dock6

Thanking you

Mary Varughese
Research Scholar
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