Hello Amber users and developers
I was curious regarding the definition of hbond donors/acceptors in cpptraj. From what I understand, cpptraj allows a relatively loose definition of these and is capable of of some degree of auto-detection.
If my understanding is correct, is it possible to run cpptraj in a way, potentially just using the prmtop/inpcrd files, to print out all identified donors/acceptors?
Best regards
// Gustaf
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Received on Fri Nov 06 2020 - 01:30:02 PST
