plumed / plumed2

Development version of plumed 2
https://www.plumed.org
GNU Lesser General Public License v3.0
323 stars 269 forks source link

Weird behavior of LOWER_WALLS #1091

Open riccardocapelli opened 5 days ago

riccardocapelli commented 5 days ago

Today I used a LOWER_WALLS potential on a distance and set the exponent of the function to 1.

Looking at the bias, I got a value of 0 when d>threshold, but a negative value (i.e. an attractive potential) when d<threshold.

Is this the expected behavior (and I should put a - in front of the KAPPA) or, as the name of LOWER_WALLS suggests, is this a bug?

Thanks a lot!

Riccardo