charmmff¶
The charmff attribute informs pestifer which CHARMM force-field parameter and topology files are to be
used for all psfgen/namd3 executions. standard refers to files that are found in the official CHARMMFF
release, and are referred to by their base filenames, regardless of whether they live in the topmost toppar
directory or one of the stream subdirectories. custom refers to files that are not part of the official
CHARMMFF release.
Single-valued attribute:
release: CHARMMFF release in MonthYEAR format (e.g., “July2024”, “February2026”, etc.) (default: February2026)
Container-like attribute:
Subattributes: