[gmx-users] % of H-bond occupancy

[Mark Abraham]

Hi,

Start by looking over
http://manual.gromacs.org/documentation/current/user-guide/cmdline.html#commands-by-topic
to
see what is available.

Mark

On Wed, May 2, 2018 at 11:57 AM <spss4 at iacs.res.in> wrote:

> Hii
> I want to calculate % of H-bond occupancy between DNA base pair atoms and
> Urea molecule in gromacs. Is it possible to do this in gromacs? If not then
> what is the way to do that?
>
> Thanks
> Sunipa
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