|
|||||||||||||||||||||||||||||||||
AMBER Archive (2009)Subject: RE: [AMBER] parameterization of protein-ligand complex
From: cc cc (weekiang_at_live.com)
>normally one would dock molecules, then
The difficulty I am experiencing is the parameterization of the protein-ligand complex. As mentioned, I have successfully obtained the parameters for the ligand (without the protein) but I do not have any success when I conduct the tleap procedure using the complex structure. I was trying to emulate the steps described in http://www.rosswalker.co.uk/tutorials/psc_workshop/Tutorial_six/using_leap_complex.html
http://www.microsoft.com/windows/windowslive/products/photos.aspx
| |||||||||||||||||||||||||||||||||
|