[gmx-users] peptide ligand-protein complex topology

‪farial tavakoli‬ ‪ farial.tavakoli at ymail.com
Mon Oct 2 16:12:18 CEST 2017

Dear GMX users
I want to generate a topology for my peptide ligand, but I dont know if I can use "gmx pdb2gmx -f peptide ligand-protein complex.pdb -o peptide ligand-protein complex.gro -water spce -ignh" ?would you please advice me that how can I generate a peptide ligand topology file? I think , it is not needed to use external servers like ATB and I can use pdb2gmx to generate peptide ligand topology. 

Thanks in advanceFarial

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