1 millisecond Coarse Grained simulation

maialenzaze
Thu, 21 Sep 2023 10:33:27 +0000
User discussions

GROMACS version: GROMACS/2020.4-intel-2020a
GROMACS modification: Yes

Hi everyone!

I’m attempting to do a millisecond to second range Coarse Grained MD with gromacs. I have both Martini22p and Martini3.0.0 systems of protein-membrane-solvent already minimised and equilibrated. When I run the MD with mdrun, I get a lot of problems with load imbalance and millisecond range simulations would take months.

Does anyone use any other method for Coarse Grained simulations in gromacs? Where do you build the system?

Thank you very much!

Maialen

3 posts - 2 participants