GROMACS version: 2020
GROMACS modification: No
Dear all,
is it possible to use the roto-translational constraints of the solute in GROMACS? I expect that it should be because the original algorithm was published by GROMACS developers. I need to simulate a big non-spherical protein in the rectangular box. I want to use roto-translational constraints to prevent protein rotation in the box to ensure the protein would not see its own periodic image. Is it possible to set up this kind of simulation in GROMACS?
Thank you for your answers and help.