HTPolyNet¶
HTPolyNet is a command-line tool for building atomic configurations of amorphous network polymers suitable for molecular dynamics (MD) simulations. It uses the General Amber Force Field and produces output that can be simulated using Gromacs.
Citation¶
When using HTPolyNet in published work, please cite Huang and Abrams [HA23], along with the main GAFF paper Wang et al. [WWC+04] and the two main Gromacs papers Berendsen et al. [BvdSvD95] and Abraham et al. [AMS+15].