Force parameter in topology [angles] option

User discussions
#1

GROMACS version: 2016.4
GROMACS modification: Yes/No

Dear all,

Recently I have come across a .top file with the following:

[angles]
; i j k func angle force
1 2 3 1 180 100

I am aware of what all of these parameters mean apart from ‘force’ which I cannot find in any GROMACS documentation, although perhaps I’m looking in the wrong places. Apologies, I am very new to GROMACS, but does anyone know what it means?

Thanks in advance.

#2

It’s the force constant in the harmonic potential. See File formats — GROMACS 2021.2 documentation

1 Like
#3

Ah I see, thank you so much!