[gmx-users] Correlation of dynamics between pairs of residues

[Justin Lemkul]

On 3/12/15 6:20 PM, Ebert Maximilian wrote:
> Dear list,
>
> I am looking for a tool in gromacs to generate a map of residues pairs to indicate wether the dynamic/movement is correlated or anti correlated. Which tool is able to generate such an output?
>

gmx covar will plot the covariance matrix for all atom pairs (3N x 3N), but you 
can map that to residues.

-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
20 Penn St.
Baltimore, MD 21201

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

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