[gmx-users] Restrain free energy

asaffarhi at post.tau.ac.il asaffarhi at post.tau.ac.il
Sun Sep 16 05:32:52 CEST 2018


You can put the numbers in
and get Helmholtz free energy of restraints. Alternatively, you can  
remove the bond angle and dihedral angle term to get their  
Helmholtz/Gibbs free energies.
Based on NJP A. Farhi and B. Singh 2016

Quoting hoangtung9597 <hoangtung9597 at gmail.com>:

> I'm conflic now. Help me!!That i run free energy protein ligand T4  
> tutorial, but i can't caculate dental Gibb restrain ? Can you  
> help.me. thank you so much.
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