GROMACS version: 2018.4
Hello friends.
This is my npt.mdp (1.3 KB) file. After using grompp command I face this note:
NOTE 1 [file npt.mdp]: This run will generate roughly 12839 Mb of data
Is it an important note?
Thank you.
GROMACS version: 2018.4
Hello friends.
This is my npt.mdp (1.3 KB) file. After using grompp command I face this note:
NOTE 1 [file npt.mdp]: This run will generate roughly 12839 Mb of data
Is it an important note?
Thank you.
Hello,
it’s “only” important to take note of if you’re working with limited disk space or bandwidth (if running on a remote cluster). It’s just an estimate of how large the written trajectory files etc. will be.
Regards,
Petter
Thank you for your responce.