Hi,
Is there a way to implement patches when using CharmmParameterSet and CharmmPsfFile to read in CHARMM parameters / topologies, respectively? I want to include a patch for two protonated residues (an Asp and Glu), but would prefer to read in CHARMM parameter, PSF and CRD files directly.
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- Fri Apr 19, 2024 1:40 pm
- Forum: OpenMM
- Topic: Patches when using CHARMM files
- Replies: 1
- Views: 2028