I am just not sure what it is you want to accomplish I suppose, the HBOND routine produces numbers of registered bonds and the fraction of interaction compared to total time analysed.
So in order to provide a helpful answer I would need a little more detailed description of what you have done and what you are trying to accomplish.
Best regards
// Gustaf
> On 2 Sep 2019, at 15:16, shivangi agarwal <shiviagarwalpharma.gmail.com> wrote:
>
> Can anyone help on above query?
>
> On Fri, Aug 30, 2019 at 10:50 PM shivangi agarwal <
> shiviagarwalpharma.gmail.com> wrote:
>
>> Hello all
>>
>> I want to calculate H-bond interactions (residue number) of all frames
>> over the trajectory. I have calculated number of hydrogens bonds for each
>> of the frame.
>> Can anyone suggest better method?
>>
>>
>>
>>
>>
>>
>>
>>
>> With regards
>> Shivangi Agarwal
>>
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Received on Mon Sep 02 2019 - 07:00:02 PDT
