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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...
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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...
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