Re: [AMBER] VMD hydrogen bonds calculation

From: Pooja Kesari <pkesari88.gmail.com>
Date: Mon, 24 Oct 2016 09:36:29 +0530

Dear Bill
Yes these are making more than one hydrogen bond.

On Sun, Oct 23, 2016 at 11:57 AM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> 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?
> >
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Thanks & Regards,
Pooja Kesari
Research Scholar
Department Of Biotechnology
Indian Institute of Technology Roorkee
INDIA
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Oct 23 2016 - 21:30:03 PDT
Custom Search