I have installed GROMACS 2020.1, and I have experienced the same problem with this command
gmx genrestr -f KALP_newbox.gro -o strong_posre.itp -fc 100000 100000 100000
“Reading structure file
Select group to position restrain
Segmentation fault (core dumped)”
Thus, I am going to upgrade to the 2020.3 version. And I would like to know this:
How is possible to get GPU enabled? it seems to be impossible in my workstation which it has an ASUS C621e motherboard with two intel xeon gold 6138 processors, 96 gb in RAM in addition to two GPU GeForce RTX cards (2080Ti), compatible with GPU acceleration for GROMACS