|The Molecular Graphics Laboratory Forum
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|Author:||mjkaadri [ Thu Feb 16, 2017 4:22 pm ]|
|Post subject:||atom types|
How do I add new types of atoms to AutoDock?
|Author:||Johnclair24 [ Fri Feb 24, 2017 7:03 am ]|
|Post subject:||Re: atom types|
AuctoDOCK version 4.0 has parameters for H,C,N,O,F,Mg,P,S,CI,Ca,Mn,Fe,Zn,Br and I.bear in mind that the AutoDocok 4 scoring function was calibrated for the current set of atom types.and that if you add new ones.
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