[AMBER] CPPTRAJ printout auto-detected hbond donor/acceptor

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Fri, 6 Nov 2020 09:24:28 +0000

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
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