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

[Erik Marklund]

Hi,

Not as of yet I’m afraid.

Erik

> On 3 May 2016, at 08:16, Nash, Anthony <a.nash at ucl.ac.uk> wrote:
> 
> 
> 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. 
> 
> Thanks
> Anthony 
> 
> 
> 
> 
>> 
> 
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