10 October 2016 3 7K Report

Dear researchers

i am following the tutorial  http://www.ks.uiuc.edu/Training/Tutorials/namd/PLB/tutorial-protein-ligand.pdf

but in this tutorial its not mentioned how to restrain ligand in the pocket. I am using NAMD and VMD and want to find the binding energies of protein protein complexes. please give me some suggestions.

 I am familiar with GROMACS and have performed protein ligand complex simutations and restrains etc. but i don't know how to do it in NAMD. please guide me.

thanks in advance

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