Dear all,
I am a new user of GROMACS software package, I am trying to do the water simulation with tip4p water model but I am getting this error.
Fatal error:
There were 1 missing atoms in molecule Water, if you want to use this
incomplete topology anyhow, use the option -missing.
could anyone please suggest me how can I eliminate this error?
Dear Shivangi,
This error generally means that the command your are executing expects certain atoms within the given residue (Water), based on the entries in the force field [.rtp file]. Check if your topology and/or names of the atoms in the topology is correct and matches the ones expected in the .rtp file