[gmx-users] caculate free energy

[Tùng Hoàng]

Hi, it me again. I'm trying to calculate free energy for protein ligand. I
restrain protein ligand and dG =102kj for protein. but i know the value
must be =64 kj i read that in paper( tutorlal). i think the different is dG
restrain but why is so error? and how can i calculate for true? i don't
know how to calculate this dG restrain or negative it.
Tks for your repply.
-- 
Hoàng Tùng / student
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University of Medicine and Pharmacy I Ho Chi Minh City
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