Hello,
Currently, I am converting the LAMMPS Data file to the GROMACS TOP file. I have found that the bond parameter K in LAMMPS includes a coefficient of 1/2：
https://docs.lammps.org/bond_harmonic.html
while GROMACS does not include it，
https://manual.gromacs.org/current/reference-manual/functions/bonded-interactions.html
However, when using InterMol for the conversion, there is a bug in that it does not take into account the 1/2 factor. As a result, the GROMACS parameters obtained are half of what they should be.
How should I go about making the necessary modifications? Thank you for your response.
Hello,
Currently, I am converting the LAMMPS Data file to the GROMACS TOP file. I have found that the bond parameter K in LAMMPS includes a coefficient of 1/2：
https://docs.lammps.org/bond_harmonic.html
while GROMACS does not include it，
https://manual.gromacs.org/current/reference-manual/functions/bonded-interactions.html
However, when using InterMol for the conversion, there is a bug in that it does not take into account the 1/2 factor. As a result, the GROMACS parameters obtained are half of what they should be.
How should I go about making the necessary modifications? Thank you for your response.