Non-equilibrium pulling - force ramp

User discussions
1

GROMACS version: 2019
GROMACS modification: Yes/No

I’m trying to perform a non-equilibrium pull of a protein construct by constantly increasing force in the form of a force ramp. For reference, please refer to the attachment (https://doi.org/10.1016/j.sbi.2019.12.015). What changes should I make to the production .mdp file?

Thanks a lot!
force_ramp

2

Hi,
my first suggestion will be to look at the mdp option for the pull code if there is something that fits for your case
https://manual.gromacs.org/current/user-guide/mdp-options.html#com-pulling
For an overview of the method you can have a look at https://manual.gromacs.org/current/reference-manual/special/pulling.html
Then you could test if you got the expected results.
Kind regards
\Alessandra