[gmx-users] The sum of the O-H distancesof the backbone hydrogen bonds ROH

Mark Abraham Mark.Abraham at anu.edu.au
Mon Jan 3 13:37:08 CET 2011

On 2/01/2011 2:18 PM, sreelakshmi ramesh wrote:
> Dear all,
>              I have a protein in water and i have simulated it for few 
> nanoseconds and i now i wanted to monitor the  The sum of the O-H 
> distances (in Å) of the backbone
> hydrogen bonds ROH:i dono how to extract the value from the trajectory 
> file.Any siuggestion please.Thanks in advance

Look in section 7.4 of the manual for a suitable tool for extracting the 
raw distances. You'll need some other non-GROMACS tool to add them up.


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