GROMACS modification: Yes/No
Hi, I am a beginner in MD simulation. I have run a 550 ns simulation of a membrane protein. Then I made an index file to calculate parameters of select portion of the protein. When I tried to run rms function to get rmsd-vs-average.xvg (-f step7noPBC.xtc -s average.pdb -n res.ndx), I am able to select the group containing the selected region but in the next step I get this error-Segmentation fault (core dumped).
I was able to use the same index file for getting
rmsf( -s step7.tpr -f step7noPBC.xtc -n res.ndx -o rmsf-per-residue.xvg -ox average.pdb)
and rmsd(-s step7.tpr -f step7noPBC.xtc -o rmsd.xvg -tu ns -n res.ndx),
but somehow in the said step it is not working out. Please help me solve this.