AMBER Archive (2009)

Subject: Re: [AMBER] Meaning of GMAX

From: case (case_at_biomaps.rutgers.edu)
Date: Mon Aug 24 2009 - 06:44:34 CDT

On Mon, Aug 24, 2009, E.M. wrote:

> What does GMAX in minimization output stand for?. Also, when the RMS is
> reported, is this taken between alpha carbons of subsequent outputs or
> how is this made?. I just do not know the code, so I do not know what is
> reporting. :/

GMAX is the element of the gradient vector with the largest magnitude. RMS is
the root-mean-square of the gradient vector (has nothing to do with
coordinates.)

...dac

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