AMBER Archive (2004)

Subject: Re: AMBER: leap.log warnings

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Jun 21 2004 - 14:25:35 CDT

> It is too confusing to print a warning for every potential improper
> that does not have a ff term.

Dave Case pointed out that there *is* a warning when there
is no improper term for an sp2 center. This is the warning that
launched this thread. (I think I may have put it in myself, too :-)

This is independent of my debugging-related comparison of the
prep.in IMPROPER section with the ff-assigned impropers, which
remains available for developers of new residues who want this
extra check.

Bill
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