Question: "Atomtype O not found" error in gromacs 5.1.1
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7 months ago by
SS0
SS0 wrote:

Hello,

I am doing MD simulation for Protein-ligand docked complex using Gromacs 5.1.1. When I try to run the following command, I am getting the error " atom type O not found". I used OPLS all atoms force field.

gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr

Fatal error:
Atomtype O not found

How to solve this error? I am new to gromacs. Your suggestions would be appreciated! Thank you!

gromacs md simulation • 413 views
ADD COMMENTlink modified 7 months ago • written 7 months ago by SS0
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