Keating:CHARMMFacts

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CHARMM

Everyone is highly encouraged to post their findings about CHARMM here.

• prnlev MUST be set to at least 5 for the analysis command to work and actually print stuff (not in the docs I think).
• subroutine rdcmnd in util/parse.src is CHARMM's command parser.
• subroutine rdtitl in util/title.src is CHARMM's title reader/parser. If a line is read and it is not a title, a BACKSPACE is performed on the input stream, which is why if CHARMM is used using a pipe from another program, everywhere a title ought to be, it must be printed.
• subroutine seqrdr in io/psfres.src is CHARMM's sequence reader.