[gmx-users] Question about binding free energy calculation

Ming ebullience at emails.bjut.edu.cn
Tue May 27 03:48:21 CEST 2008


Dear all,
I'm new to Gromacs but not new to MD.Could anyone kindly tell me how to calculate
binding free energy with Gromacs? For example, MM/PBSA or MM/GBSA.
Could anyone kindly send me a script? Any help will be highly appreciated!

Regards!
Ming 





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