A question about flag: -multi

User discussions
1

GROMACS version:2022.2
GROMACS modification: No
I am now running T-REMD simulation using the following bash script:

Screenshot from 2022-07-20 10-36-23
Screenshot from 2022-07-20 10-36-23915×329 14.7 KB

but the terminal shows ‘Unknown command-line option -multi’. Is the problem caused by the version of GROMACS (I wrote the script following a tutorial， the version of GROMACS used in that tutorial is 2018)? How to solve this? Thanks!

2

Hi,
The option -multi is not available since 2019. From 2019 for a replica-exchange simulations, you can use the option -replex and -multidir. See more here for details Useful mdrun features — GROMACS 2022.2 documentation.
\Alessandra

3

Dear Alessandra，
Thanks so much for your help
Sincerely