[gmx-users] gmx rmsdist: rmsmax vs. rmscmax

[Justin Lemkul]

On 3/15/15 6:36 PM, Alan Manning wrote:
> Hi
>
> What is the difference between the "rmsmax" and "rmscmax" values written to the
> screen when running "gmx rmsdist"? Thanks.
>

rmscmax is scaled by dividing by the mean ("sc" for "scaled," presumably).  See 
calc_rmsd() in gmx_rmsdist.c

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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