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

sreelakshmi ramesh sree.lakshmi at research.iiit.ac.in
Tue Jan 4 07:29:53 CET 2011

Thanks a lot for your reply..

On Mon, Jan 3, 2011 at 6:07 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> 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.
> Mark
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