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Questions related from Susantha K Ganegamage
I have done docking a ligand molecule with a receptor. After the docking, I separated the ligand from the receptor. Now I need to add partial charges to the ligand without minimizing its energy.
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I prepared ligand forcefields with CGenFF server according to the method described by http://www.mdtutorials.com/gmx/complex/02_topology.html . But my ligand penalty values are (param penalty=...
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I have tried to run Autodock by following youtube video ( https://www.youtube.com/watch?v=llaVCIfH0sA ) but when I run AutoDock the error message comes. I have pasted the error message below...
25 February 2020 8,554 8 View