Calculation of Free Energy

Please help,
I am trying to calculate the free energy change of the modeled water
cluster, and for that
I am using the "ti" command. But it is not working because I am not
getting it and can't write it properly.

Herewith I have attached the in file I am trying with. Can you tell me
where and what is wrong.
If possible please send me one example with "fix_adapt" and "variable"
commands together with "compute ti".
Another thing that, how would I print the calculated free energy change.

Yours sincerely,

in.smallsystem (1.15 KB)

Please converse with Sai directly.


I have sent the cc of the same mail to Dr. Jayaraman Sai ([email protected]).