Ensuring 4-point water model is rigid

Using gromacs 2022.4

when using IFNDEF_init.top does not produce constrained files, while simply removing them by deleting all “#ifdef FLEXIBLE”, “#else”, “#endif” working_init.top runs correctly.

May I ask if i’m doing something wrong with IFDEF, or is gromacs does not read IFDEF correctly ?

IFNDEF_init.top (2.1 KB)
working_init.top (2.1 KB)