GROMACS version:2021.7
GROMACS modification: No
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Dear Gromacs users and developers
I have a standard .xtc trajectory from lammps and I would like to calculate the orientation of water using the gmx h2order. The gmx h2order requires .tpr as input, however, I use a many body potential in Lammps that is not supported in Gromacs, so I am not able to set the same force field as lammps when I generate the .tpr file. It is my understanding that only the charge and topology of water are necessary information used by the gmx h2order, hence the inconsistent force parameter should be fine for the gmx h2order calculation. Is it right?