Hi,
I was wondering if index and sort order are guaranteed in a prmtop file.
E.g. if I have a bond A-B or an angle A-B-C, can I rely on A < B or A
< C? Also would bonds be sorted in ascending order on A, angles on
A then B, etc.?
Many thanks,
Hannes.
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Received on Tue Sep 08 2015 - 08:00:03 PDT
