Is there an example run file for lammps ?

[peabreu]

Hello,
I searched but I could not find an example run of lammps using the generated parameters.
Did I miss it ? If not could you provide an example with states what functions are used for each parameter in an OPLS run ?
Thanks,
Paulo E. Abreu

[yel21]

Hello, @peabreu

Have you found an example of the input LAMMPS file with the functions that should be used for the computer simulation?

Best regards,
Victor

[peabreu]

Hello Victor,
Sorry for the delay in answering your query.
Unfortunately I have not. Have emailed the people in the project and haven't received any kind of reply. I had to shelve my project of converting the generated topology to a suitable gromacs format. This project might be dead...
All the best
Paulo