Monte carlo simulation in gromacs

GROMACS version:
GROMACS modification: Yes/No
Here post your question Is it possible to run MC in gromacs?

No, it is not.

As a point of clarification, grand canonical monte carlo is feasible with GROMACS (see: ) but requires an external tool and was designed for an older version.

If you are looking for Monte-Carlo for proteins CAMPARI ( ) or MCPro/BOSS (from Jorgensen’s lab) are good places to start.