[gmx-users] free energy of restraints

[asaffarhi at post.tau.ac.il]

Dear Gromacs Users,

Hi, we have added a free energy calculation of a dihedral restraint to  
the free energy website. Now it has exact analytical free energy  
calculations of all the restraints (can be used in absolute free  
energy calculations) and the standard bonded terms
https://www.wolframcloud.com/objects/asaf.farhi/test/originalDeployment

For more details:
Calculation of molecular free energies in classical potentials/ A.  
Farhi and B. Singh, New Journal of Physics 18 023039, 2016

Thanks,
Best regards,
Asaf