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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Tue Sep 17, 2013 4:15 am 
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Joined: Tue Sep 17, 2013 3:58 am
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Sorry ... I was a graduate student who is conducting research on the study of interactions using molecular docking method and I choose my tools AutoDock as software. But when I do the calculation turns out one of the atoms in the ligand I do not have a default parameter. Some that I use are atomic Vanadium (V), chromium (Cr 3 + and Cr6 +). Please help how to add the parameter. Thank you.


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