AMBER Archive (2007)

Subject: Re: AMBER: The convergence criteria for the energy minimization of the DNA molecule (dodecmer duplux)

From: David A. Case (case_at_scripps.edu)
Date: Fri Jan 19 2007 - 10:36:34 CST

On Fri, Jan 19, 2007, Chengwen Chen wrote:
>
> When I want to get an optimized structure of the DNA molecule,
> I find that there is no convergence crtieria implemented in the program.

Look at the DRMS variable. You could find this by searching for "convergence
criterion" in the Users' Manual, or by other means.

....dac

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