How to apply a unidirectional constant external force to all COM of a particular specie?

User discussions
1

GROMACS version: 2021.3 / 18 August 2021
GROMACS modification: No

I wish to add an external force to a certain specie, but basic google search seems to be not that productive.

I am thinking it would be as easy as:

uni-force-direction = 0 0 0 -1 ; specie x y z
uni-force-magnitude = 0 1000 Meganewton ; specie magnitude unit

But I could not find it in the documentation.

How do I do this?

2

Hi
maybe you can try the mdp option deform . Molecular dynamics parameters (.mdp options) — GROMACS 2021.3 documentation
\Alessandra

3

Use the pull code: Molecular dynamics parameters (.mdp options) — GROMACS 2021.3 documentation