Dear Gromacs users, I follow this tutorial, http://www.alchemistry.org/wiki/Absolute_Binding_Free_Energy_-_Gromacs_2016#cite_ref-Mobley2006_7-0 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,
Best regards, Tung -- Hoàng Tùng / student [email protected] / +(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 <https://htmlsig.com/signatures/0001DP594H> [image: Facebook] <https://htmlsig.com/t/000001DK2V24> [image: Skype] <https://htmlsig.com/t/000001DH4S28> -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
