Re: [AMBER] non-protonated and protonated phosphate

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 27 Mar 2014 12:26:25 -0400

On Thu, Mar 27, 2014, Thomas Exner wrote:
>
> I try to generate parameters for a modifide UTP with antechamber.

Why not use well-established parameters for ATP and GTP, and just replace
the base? Amber already makes the approximation that sugar/phosphate
parameters don't depend on the nature of the base, so a mix-and-match
approach ought to work.

And, as usual, there is an R.E.DD.B solution as well:

  http://archive.ambermd.org/201211/0442.html

...dac


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Received on Thu Mar 27 2014 - 09:30:04 PDT
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