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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Wed May 30, 2012 10:23 am 
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Millimolar User
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Joined: Wed May 30, 2012 10:10 am
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Autodock vina is the best software i have ever used. But sir, i am in trouble how to carry out docking for heavy metal complexes having V (vanadium) as core metal ion??? how can i generate the parameter file for this??

Kindly give your valuable suggestions sir.

Thanking you. :)


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PostPosted: Sat Jun 16, 2012 11:00 pm 
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Micromolar User
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For what I know, there is no chance on changing the atom parameters in Autodock vina. You may actually look in the forums or search in google about the subject, as I know that (for what I remember) Dr Trott has answered to this question already. In the other hand, it seems that you can do this in AD4, but I haven't used it myself. Maybe you can search and give it a try.

Stephan Schott.


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