Clarify to_openmm_simulation docstring and rename to_lammps(file_path) arg to prefix
#1042
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…ath)` to `prefix`
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@mattwthompson I think this is ready! |
mattwthompson
approved these changes
Oct 7, 2024
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| "Now we need to write an input file for LAMMPS. Parts of these input files depend on force field parameters, so we should use a sample input file written for our interchange as a starting point. We can generate such a sample file from `MDConfig`:" | ||
| "Now we need to write an input file for LAMMPS. Parts of these input files depend on force field parameters, so we should use a sample input file written for our interchange as a starting point. We can generate such a sample file with the `to_lammps_input()` method:" |
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#1027