Re: Aw: [gmx-users] Free Energy Simulations in Parallel

tin Sincerely, Stephan Watkins *Gesendet:* Freitag, 26. Juli 2013 um 22:13 Uhr *Von:* "Quintin Sheridan" *An:* "gmx-users@gromacs.org" *Betreff:* [gmx-users] Free Energy Simulations in Parallel Dear Gromacs Users, Is it possible to run free energy calculations in parallel using

Aw: [gmx-users] Free Energy Simulations in Parallel

n Sheridan" An: "gmx-users@gromacs.org" Betreff: [gmx-users] Free Energy Simulations in Parallel Dear Gromacs Users, Is it possible to run free energy calculations in parallel using mpirun? If not, what is the fastest way to run free energy calculations. I am trying to us the B

[gmx-users] Free Energy Simulations in Parallel

Dear Gromacs Users, Is it possible to run free energy calculations in parallel using mpirun? If not, what is the fastest way to run free energy calculations. I am trying to us the Bennet's Accepetance Ratio (g_bar) to get the free energy of solvation for an ionic liquid based on the tutorial by