[gmx-users] Overriding atom type.

Yogesh Sharma yogesh.rma13 at gmail.com
Wed Dec 4 19:18:35 CET 2019


greetings Dr. Justin

 I used charmm gui Input generator for ligands. these are H2O2, NO and
Urea. I got three files for each Charmm36.itp, ligand.itp and topol. top. I
added charmm36.itp files for each ligand under subsequent section with my
system.itp and added #include link for  ligand.itp files in my topol file.
Everything is working fine if, I am simulating them one by one but when
combined, system is showing overriding atom type error for common named
residues.


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