AMBER Archive (2009)

Subject: [AMBER] H-Bonds

From: Beale, John (jbeale_at_stlcop.edu)
Date: Thu Feb 26 2009 - 08:38:04 CST

What do I need to put in my hbond.in file to pick up a serine side chain
O-H proton as a donor and an aspartate carboxyl group as an acceptor? I
tried using "acceptor: ASP COO" but that didn't work. As for the serine
side chain O-H proton I have no idea what to do.

 

John Beale

 

 

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