Relative binding free energy calculation tutorial

User discussions
1

Hi everyone,

could someone suggest a good/recent tutorial to calculate relative binding free energy by GROMACS? Especially with some example of setting lambada value.

Thanks

2

I used this one, maybe it helps: Free Energy Calculations. Or just google ‘Gromacs Free Energy Tutorial’.

3

Thanks for your reply, but this one is not what I needed. The tutorial only talked about absolute free energy calculation, and the scenario was quite simplified.

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