[gmx-users] free energy calculator

asaffarhi at post.tau.ac.il asaffarhi at post.tau.ac.il
Thu Mar 15 10:58:30 CET 2018

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.

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,

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