I couldn't get npt.gro file after finishing step npt equlibration step.
First I used this command "gmx grompp -f npt.mdp -c nvt.gro -r nvt.gro -t nvt.cpt -p topol.top -o npt.tpr"
Then used this "gmx mdrun -deffnm"
I got this from http://www.mdtutorials.com/gmx/lysozyme/01_pdb2gmx.html
Hi, did this command "Then used this "gmx mdrun -deffnm" " executed?
what was written after -deffnm ?
From your previous command,
"gmx mdrun -deffnm npt" should be the correct one. Once, it completed, then you can find npt.gro in the currect directory.
I tried "gmx mdrun -deffnm npt" but did not got .gro and .cpt files.
Can you share the screen output when "gmx mdrun -deffnm npt" executed? This is odd that if it runs and completed properly, but yet there is no gro or cpt files. Even you settings are absurd, GMX wrote the final snap shot in any case.
I am facing the same issue as well, .gro files and .cpt files are not getting generated
- Badges
- Science method