[gmx-users] nhbdist option in gmx hbond?

Gmx QA gmxquestions at gmail.com
Tue Nov 3 10:17:02 CET 2015

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?


More information about the gromacs.org_gmx-users mailing list