Post-processing of metadynamics and constrained dynamics
Posted: Thu May 03, 2012 1:59 pm
Hi,
I am currently performing some simulations with metadynamics and constrained dynamics. In order to extract results from these, I'm searching for post-processing scripts (for example to reconstruct the FES based on the metadynamics output). Can anyone help me with this?
Cheers,
Kristof
I am currently performing some simulations with metadynamics and constrained dynamics. In order to extract results from these, I'm searching for post-processing scripts (for example to reconstruct the FES based on the metadynamics output). Can anyone help me with this?
Cheers,
Kristof