Hello,
I am new to this newsgroup (and to MD). I would like to
know if molecular dynamics can be used to estimate
binary diffusion coefficients of A (solute) in B (solvent).
Can X-Plor be used to do it? The system I am studying does not
involve biomolecules, but small molecules (for example, benzyl
chloride dissolved in toluene). Any pointers or suggestions
regarding this would be much appreciated.
Thanks
Sridhar
desikan at iastate.edu
