Re: [AMBER] VMD hydrogen bonds calculation

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Sat, 22 Oct 2016 23:27:20 -0700

Could there be more than 1 hbond going on at a time in each case?

Bill


On 10/22/16 11:21 PM, Pooja Kesari wrote:
> Hello Everyone,
>
> While calculating Hydrogen bonds between my protein -substrate analogs by
> VMD
> I came across occupancy values which are in % but more than 100.
>
> donor acceptor occupancy
>
> LYS13-Side
> P10322-Side
> 140.01
> P10322-Side ASN8-Side 133
> TRP81-Side P10322-Side 114.39
> What does occupancy values more than 100 signify?
>


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Received on Sat Oct 22 2016 - 23:30:04 PDT
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