[gmx-users] Atomic/residue fluctuations in z direction

[Justin Lemkul]

On 1/3/20 9:16 AM, Pradeepa Kumari wrote:
> Can we obtain atomic fluctuations in z direction using gromacs rmsf tool ?
> or Is there any other tool for this purpose

Extract the z-coordinate time series with gmx traj -ox -z and compute 
fluctuations or whatever statistics you like.

-Justin

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Justin A. Lemkul, Ph.D.
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