[gmx-users] nhbdist option in gmx hbond?

[Gmx QA]

Anyone?

Thanks
/PK

2015-11-03 10:16 GMT+01:00 Gmx QA <gmxquestions at gmail.com>:

> Dear list
>
> I am interested in the (new?) option nhbdist in gmx hbond. The help text
> says that it can be used to compare the results to Raman Spectroscopy, but
> after some time with Google I can't find any other documentation about what
> is being compared and how the comparison should be done.
>
> Could someone please point me in the right direction?
>
> Also, is it possible to calculate a Raman spectra with gromacs from an
> existing trajectory?
>
> Thanks!
> /PK
>