David Andlinger

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Questions related from David Andlinger

Why does OPLS-AA underestimate Diffusion coefficents in water for small molecules?

Hello everyone my Name is David and as part of my master thesis I want to calculate diffusion coefficients for n-alkanes (in the range of roughly 10- C) and aromatic hydrocarbons. (like...

04 April 2017 3,547 4 View

GROMACS how to implement virtual Lennard Jones interaction sites correctly ?

Hello everyone my Name is David and as part of my master thesis I want to calculate self-diffusion coefficients for n-alkanes (in the range of roughly 10-25 C) and aromatic hydrocarbons. (like...

09 September 2016 8,658 1 View