[gmx-users] Protein-Peptide Simulation help
syedazeemullah186 at gmail.com
Tue Dec 20 06:36:47 CET 2016
I'm trying to simulate a Protein-Peptide complex using GROMACS 5.1.4.
For reference, I referred Justin Lemkul's Tutorial for Protein Ligand
complexes. In which, the topology for ligand (small molecule) was
generated using PRODRG.
In my case, do I need to treat my peptide (16-mer) in such a way? Or
just directly simulating the protein-peptide complex is good enough?
Thanks in advance
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