[gmx-users] charge assign acetaminophen

elham tazikeh elham.tazikeh at gmail.com
Wed Jun 29 09:54:48 CEST 2016


Dear GMX users;
would you please help me about assigning the charges of my ligand
(acetaminophen) for entrance to simulation
i'd like to use the groups in aminoacids.rtp file in my force field
(gromos53a6) but i don't know how extract my charges
thanks
elham


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