Personal code that does test particle insertion for trajectories saved with GROMACS. Uses some SIMD intrinsics to make it fast. Requires libgmxcpp 5.0+ with AVX instructions enabled.

To install do:

make
make PREFIX=/usr/local install

Change PREFIX to your liking. The above installs the binary to /usr/local/bin/tpi.

An example configuration input file is found in dat.