[gmx-users] gmx hbond - specify precise atom names involved

Nash, Anthony a.nash at ucl.ac.uk
Tue May 3 15:31:00 CEST 2016

Hi all,

Can gmx hbond accept user specified atoms for the donors (default OH and
NH) and acceptor (default O and N)? I don¹t seem to find any mention of
this in the -help text.

I have a post-trans modified protein from a rather bulk cross-linked
peptide chain. I defined unique atom times but I have used a unique set of
atom names. 



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