Metadynamics Simulations
Unlike REST2, metadynamics (metaD) uses biased potentials to enhance the sampling of a specific region of the system defined by the collective variables. In this module we provide access of metadynamics simulation using the PLUMED patched Gromacs for the advanced users.
Upload a prepared protein complex PDB file
Browse
Upload your plumed configuration file
Browse
Job name
Job time: (hours)
Force filed(Protein)
Force filed for ligand (if present)
mmseqs2_server
Charge method for ligand (if present)
mmseqs2_server
Simulation temperature (K)
Water box
mmseqs2_uniref_env
Submit
Load Example