[gmx-users] including .itp file to system

Alex Mathew alexmathewmd at gmail.com
Wed Dec 9 16:52:56 CET 2015


Hello everyone,
i wanted to perform a Protein-Ligand Simulation,i created .itp,psf,.par etc
files for ligand and am able to make topol.top and conf.gro or the protein
using pdb2gmx .Forcefield is CHARMM27 Now i im confused how to include
ligand into my system.as per tutorial we are provided with .gro file but in
case of charmm forcefiled i didnt get any .gro file.
so it will be helpful if someone can guide me how to perform this
Thanks


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