Preparation of ligand with RESP charges using Gaussian and - PowerPoint Presentation

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Uploaded On 2015-11-30

Preparation of ligand with RESP charges using Gaussian and - PPT Presentation

Ayesha Fatima Method Get the pdb or mol2 file of ligand with hydrogen atoms included 2 Execute command in Ubuntu terminal antechamber i xpdb fi pdb o xdat fo gert gv ID: 210308

file general improper prepi general file prepi improper angle 180 resp atom torsional pdb frcmod antechamber dat command ligand

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