3D Metadynamics (AlphaRMSD [protA], AlphaRMSD [protB], and CONTACTMAP) not biasing CONTACTMAP

[Gregory Schwing]

Dear Plumed users:

I am trying to perform metadynamics on a helix-loop-helix tf, to de-helify and dissociate the two proteins.  the dehelefication is taking place, but no change on the cmap CV is happening.  I have only been running for ~4 hours, but the helices have shown significant change, and the cmap has stayed constant.

I have attached my plumed.dat file, a heatmap of the contacts, the mdp file, and the HILLS file.

My understanding of biasing the contactmap is plumed should essentially drive dissociation of the dimer.  Is this a correct expectation?

Thank you

Greg

[Gregory Schwing]

Closing.  I was using Angstrom to set the Ref distance.

[Ikponwmosa Obaseki]

Hey Greg. I would like to ask how you set up the contact map, specifically how to set up the weight and reference. i have checked the plumed manual but I am not too clear on how to set it up.