ADL: halogen parameters

James I Fells thesaga at msn.com
Tue Feb 1 13:08:03 PST 2005


I was hoping someone could help in telling me how to use halogens.  I
tried changing my pdbq file like the web site said.  This didn't work. 
Does my autogrid.h file need to read differntly?  Currently the defined
atom types are CANOH.  Do I need to change it to CANOHcFb

James Fells




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