Re: [AMBER] charges in prmtop file

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 5 Oct 2010 19:46:43 -0700

PS -

> complex = combine {receptor LIG}

I'm not sure this will give you reasonable coordinates.
The normal way to do this is make a pdb with the molecules
positioned right, and use loadpdb. Or you could do it in
xleap.

Bill

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Received on Tue Oct 05 2010 - 20:00:03 PDT
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