[gmx-users] Restrain free energy
hoangtung9597 at gmail.com
Wed Oct 3 16:27:08 CEST 2018
Dear Gromacs users,
I follow this tutorial,
i don't know how to restrain it !!! 1 bond 2angle 3 diheral, and i see in
complex.top [intramolecular-interaction] and they using lamda bond!!
i want to calculate differ protein ligand , but i don't know how to set up
like this. or restrain and calculate denta G restrain.
I 'm stuck for 2 month... please help me.
thank you all,
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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