AMBER Archive (2009)

Subject: Re: [AMBER] Single Adenine

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Aug 26 2009 - 14:28:31 CDT

> Quick question, what is the best way to add two molecules so they can
> interact?
> 1- Make a pdb with both molecules and then do all the fiddling of external
> parameters in tleap
> 2- Join somehow directly on tleap once each molecule has its external
> parameters loaded

'1' allows you to set the relative orientation of the molecules in
your favorite molecular editor. '2' implies that you will use xleap
to position the molecules. I think most people do '1'.

Bill

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