[gmx-users] query regarding atom type
sonali11dhindwal at yahoo.co.in
Sat Mar 27 15:25:31 CET 2010
I am trying to add ions to my protein, for that I have run this command,,
[sakshi at 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
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.
Thanks in advance
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