Molecules that perform HBond

User discussions
1

GROMACS version: 5.1.2
GROMACS modification: No

Hello gmx users,

I would like to have access to which molecules are hydrogen bonding at each instant of time in the TIP4P/2005 water solvent system that has been simulated. Is this possible?

Regards
Artur

2

Dear @artur

Take a look at this GROMACS tool for hbonds: gmx hbond