[gmx-users] caculate free energy

Tùng Hoàng hoangtung9597 at gmail.com
Fri Sep 21 18:43:46 CEST 2018

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
hoangtung9597 at gmail.com / +(84) 0928 478 789

University of Medicine and Pharmacy I Ho Chi Minh City
197 Nguyen Thai Hoc, Pham Ngu Lao, District 1, HCM City

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