[gmx-users] Test particle insertion change in energy - group cut off scheme

Arun Srikanth askforarun at gmail.com
Sat Mar 3 22:29:24 CET 2018

Hello all

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"

My question:

Does test particle insertion use the group cut off scheme to calculate the
change in energy ? (assuming equilibrium trajectories generated using
verlet cutoff)

Thank you

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