On Sat, Oct 15, 2011, souvik sur wrote:
>
> I am working with Drug-DNA docking and I have to simulate the docked
> structure upto 10ns for this, I have made the initial coordinate files
> for drug molecule but when I call it in xleap with any DNA sequnce, it
> didnot open in xleap window, it shows many parameter files were missing,
> where is the problem lies? Can you please suggest me how to open the
> docked structure in xleap window.
> Please suggest me any related tutorials for it. I am waiting for your reply.
You need to create amber libraries for your drug. Tutorials B1 (on DNA) and B4
(on drugs/inhibitors) should get you going.
...good luck...dac
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Received on Sat Oct 15 2011 - 09:00:05 PDT
