Hello All
I am trying to add ions to my protein, for that I have run this command,,
[sak...@localhost ~/sonali]$ grompp -f ions.mdp -c protein_solv.gro -p
topol.top -o ions.tpr
and every time I run it, following error is coming
Fatal error:
Atomtype OA not found
I am using OPLSA force field and I have a ligand in my molecule in which this
atom type is there.
I have tried to change the atom type after seeing force field's .itp file and
I have also included ligand .itp file in topology file.
But nothing is working for me.
Please help
Thanks in advance
--
Sonali Dhindwal
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