[gmx-users] free energy calculator

[asaffarhi at post.tau.ac.il]

Dear Gromacs Users,

We have constructed a free-energy calculator of bonded potential terms  
according to the article: A. Farhi and B. Singh, New J. Phys. 18,  
023039, 2016.
The calculations are in principle immediate and take few seconds  
through the website.
https://www.wolframcloud.com/objects/asaf.farhi/test/originalDeployment

Such calculations can be used for binding free energies (Stefan  
Boresch, Franz Tettinger, and Martin Leitgeb,  J. Phys. Chem. B, 107,  
9535-9551, 2003) and may be relevant for chemical reaction free  
energies (NJP article).
We look forward to hearing your comments and requests.

Best regards,
Asaf