[gmx-users] Test particle insertion change in energy - group cut off scheme
askforarun at gmail.com
Sat Mar 3 22:29:24 CET 2018
I was going through tpi.cpp file in the latest version of gromacs.
I found this flag
"TPI does not work (yet) with the Verlet cut-off scheme"
Does test particle insertion use the group cut off scheme to calculate the
change in energy ? (assuming equilibrium trajectories generated using
More information about the gromacs.org_gmx-users