Re: [AMBER] sander bomb and maxpr question

From: case <>
Date: Fri, 26 Mar 2010 10:53:56 -0400

On Wed, Mar 24, 2010, Andrew Olson wrote:

> 1) the tutorial has the heating up phase going up to 600K for the DNA
> complex, is this normal, even for proteins?

This varies a lot: look for examples in the literature that are close to what
you want to do.

> 2) the penalties of NMR refinment are printed in kcal/mol, is there a
> standard for how big a penalty should be before you consider taking that
> constraint out?

Again, it depends on the problem; if you have possible bad assignments, you
might want to consider using the "alternate" form for restraints; see the


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Received on Fri Mar 26 2010 - 08:00:03 PDT
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