[gmx-users] add new atom

Malihe Hasanzadeh ml.hasanzadeh at gmail.com
Thu Jan 28 18:50:25 CET 2016


Hi
I want to do a Pr-Ligand MD simulations by gromacs 5.0.5. My protein has
two Ni ions. I added parameters of Ni to ffnonbonded.itp , atomtypes.atp
and ions.itp. I also added "Ni Ion" to residuetypes.dat. But when I run
pdb2gmx, gives this :Warning: Starting residue NI571 in chain not
identified as Protein/RNA/DNA".
Could you please help me what id my mistake?
Thanks
Malihe


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