On 10/27/16 12:20 PM, CROUZY Serge 119222 wrote:
Dear gromacs users
I'm following the alchemistry.org gromacs4.6 example on ethanol solvation free
energy
I've run the simulations and I'm now at the stage of the analysis
I installed pymbar.git and pymbar-examples.git
But in the
Dear gromacs users
I'm following the alchemistry.org gromacs4.6 example on ethanol solvation free
energy
I've run the simulations and I'm now at the stage of the analysis
I installed pymbar.git and pymbar-examples.git
But in the alchemical-free-energy directory I find alchemical_analysis.py but