Calculation of self-diffusion coefficients and hydrogen bond lifetimes
This protocol is extracted from research article:
Solvent-dependent segmental dynamics in intrinsically disordered proteins
Sci Adv, Jun 28, 2019; DOI: 10.1126/sciadv.aax2348

Analysis of the dynamics of water molecules was carried out using the gmx msd and gmx hbond tools in the GROMACS suite.

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