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BCC generation and assignment goes specific -> general

Open lilyminium opened this issue 2 years ago • 1 comments

Unlike other parameters in force field files, BCCs are generated and assigned such that the first parameter matched is used. This is the opposite direction to other force field parameters, where the last match is used. It would be convenient to swap to the conventional direction. If we do this, we should probably give plenty of warning so people who may have saved and use custom BCC files aren't caught out.

lilyminium avatar Apr 12 '23 07:04 lilyminium

Somehow I wasn't watching this repo - this seems like a good idea

mattwthompson avatar May 14 '23 16:05 mattwthompson