Dear Researchers,

I am quite new at using Gromacs, and trying to add H to my .PDB file using Gromacs.

Though i added H using Maestro in my PDB file, gromacs gives error like 'Atom XXX in resiude XXX x was not found in the rtp entry....' . And i had to edit the PDB file manually to match the numbering with force field file of Gromacs.

I however edited the pdb file maunally and changed the numbering of H bonds, and it worked also without any error. But it is a very time consuming work to edit each H in PDB file.

Can anyone help me with the complete command to add H in my .PDB or .gro file using Gromacs.

Thank you!