[gmx-users] h-bonds constraints

Gavin Melaugh gmelaugh01 at qub.ac.uk
Mon Dec 19 11:20:40 CET 2011


Hi

I want to run an NPT simulation with all h-bonds constrained. How does
grompp identify the Hydrogen atoms given that forcefield labels like HA,
HC, HE are used. Is it the mass?

Many Thanks

Gavin



More information about the gromacs.org_gmx-users mailing list