Hi, everyone!
I am going to use the GROMOS force field that does not exist in LAMMPS, so bond/angle/dihedrals_style table is required. I wonder if LAMMPS supports the use of two bond_style at the same time, for example, #1-10 bond use the bond_style of GROMOS by the “bond_style table”, while #11-20 bond use the harmonic bond_style by the “bond_style harmonic”.
Thanks
What are the functional forms used by “GOSMOS” for the different terms?
While you may not find an entry with that label, the functional form may still be supported by LAMMPS?
If in doubt, always check the documentation: bond_style hybrid command — LAMMPS documentation
I’m sorry that what I mean is “GROMOS force field”. I wonder if I can use “bond_style harmonic” for partial atoms before using “bond_style table” for other atoms, Maybe the command “bond_style” will be overwritten?
For modeling the GROMOS force field, you would just use:
No need to tabulation at all. GROMOS doesn’t use different bond styles within the same system, so bond style hybrid would not be needed.
I had answered that already and it is explained in the documentation.
Also, you should not mix and match different force fields as seems to be implied by your question. That is usually a very bad idea. The GROMOS parameterization has a different “balance” between interactions than other force fields.
I got it! Thanks for reply!