Error segmentation fault (core dumped)

User discussions
1

Hi
I am using gromacs 2020.6 and I have prepared my protein system and minimize and equilibrized it by charmm gui server and i run the production step by a gpu and at the end i want to get a RMSD xvg but when i select system i am facing with pbc problem since i have 2 zn ion in my system and also when i select protein i got the following error:
Segmentation fault (core dumped)

Please help me to solve the problem or guide me what is my fault

Thanks a lot

safaei

2

I assume you mean that the tool “gmx rms” gives a segmentation fault?

What trajectory are passing to gmx rms? If this is a compressed trajectory, which groups did you select for output?