JD Tamucci

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Questions related from JD Tamucci

Error estimate given from "gmx msd"? Is it std deviation or std error? If std error, what's the confidence interval [RESOLVED] ?

I used the gmx msd function to calculate the mean square displacement and estimate the diffusion constant of atoms in my simulations. The *.xvg file reports the diffusion constant and also gives a...

02 February 2019 1,399 3 View

Are "*.tpr" files from GROMACS 2018's beta version reverse compatible with GROMACS 2016 [RESOLVED] ?

I have the 2018 beta version locally and 2016 on our university's cluster. I made the *.tpr in 2018 and tried running it in 2016. I got this error: Fatal error: reading tpx...

01 January 2018 5,108 4 View