Hello GROMACS users,
I am interested in adding a fifth/sixth order predictor/corrector
integrator to GROMACS. Is this possible? If so, any guidance on which files
need to be updated is much appreciated.
Best,
Eric
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Adding an integrator for your own work is hard but doable, especially
if you don't need it parallelized. Look at the do_update_X routines
for examples. It will be harder for 5th/6th order since you probably
need values of the forces for times in the past, which are not
automatically stored in
