PLUMED¶

Description¶

PLUMED is a plugin that works with a large number of molecular dynamics codes (Codes interfaced with PLUMED ). It can be used to analyze features of the dynamics on-the-fly or to perform a wide variety of free energy methods. PLUMED can also work as a Command Line Tools to perform analysis on trajectories saved in most of the existing formats.

Environment Modules¶

Run module spider plumed to find out what environment modules are available for this application.

Environment Variables¶

HPC_PLUMED_DIR - installation directory
HPC_PLUMED_BIN - executable directory
HPC_PLUMED_INC - header file directory
HPC_PLUMED_LIB - library directory

Categories¶

chemistry, molecular_dynamics