Hi
I want to write a data file for o2, N2 and H2 using opls force field. I could not find the exact atom number in moltemplate files. Can anyone say what is the closest atom number I can use for each? Or is there any other way I can find their lammps input file with opls force field?
Do you have evidence that there are actually parameters for O2, N2, and H2 available in OPLS?
A bit of googling yields these parameters: https://pubs.acs.org/doi/10.1021/acs.jctc.0c01132 of course, whether they will actually work for your system or not will be up to you to find out.
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