hi
command :
gmx grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr
Fatal error:
Cannot find position restraint file restraint.gro (option -r).
From GROMACS-2018, you need to specify the position restraint coordinate files
explicitly to avoid mistakes, although you can still use the same file as you
specify for the -c option.
please help me to solve this error.
thank you
Dear Maryam Mappar
These links links might be useful, have a look:
1. https://www.researchgate.net/post/can_anyone_help_me_to_solve_this_following_error_in_my_MD_protein-ligand_solution
2. https://www.researchgate.net/post/Why-doesnt-my-grompp-run-produce-tpr-file-in-gromacs-protein-ligand-simulation
3. https://www.researchgate.net/post/Why-nvt-equilibration-starts-from-step-zero-after-a-restart
Kind Regards
Qamar Ul Islam
Dear Qamar Ul Islam ,Thank you for your help
It was very useful
sincerly
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