Re: [AMBER] fitting of atomic structures to cryo-em maps

From: Jason Swails <>
Date: Mon, 16 Jun 2014 10:07:03 -0400

On Mon, 2014-06-16 at 19:06 +0530, Asmita Gupta wrote:
> is this function available in amber12?

Yes, but there is little point not to upgrade to AmberTools 14. In
Amber 12, fitting to cryoEM maps is only implemented in sander. In
Amber 14, it is also implemented in pmemd (_not_ pmemd.cuda, though).
But since sander is part of AmberTools 14 (available as FOSS), why not
just upgrade? As motivation, if you find any bugs they may only be
fixed in the newest version.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Mon Jun 16 2014 - 07:30:03 PDT
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