[gmx-users] md simulation by gromacs.

[maria khan]

Hello dear  gromacs users..
I am running simulation for protein ligand complex that are Glutamate
racemase and its inhibitor KRH.Bt it gives me error like" Atom HD1 in
residue HIS 61 was not found in rtp entry HISB with 12 atoms while sorting
atoms.For a hydrogen, this can be a different protonation state, or it
might have had a different number in the PDB file and was rebuilt(it might
for instance have been H3, and we only expected H1 & H2).Note that
hydrogens might have been added to the entry for the N-terminus.Remove
this hydrogen or choose a different protonation state to solve it.Option
-ignh will ignore all hydrogens in the input."for making pdb2gmx and it
doesnt form topology file.
where am i doing wrong.
kindly help me out.
Regards and thanks.