Material for running NAMD simulations

This repo contains supporting material for NAMD simulations:

• Some of the most common CHARMM ForceField files for use with NAMD
• Sample scripts for running MD simulations with NAMD (for equilibration and production) under different thermodynamic conditions
• Python scripts for analysis of NAMD output

For an overview about preparing NAMD simulations and instructions on how to install and run NAMD (in catalan) see:

https://saco.csic.es/index.php/s/iyZYfPgqJEgFR2T

For practical considerations about running MD simulations:

https://computecanada.github.io/molmodsim-md-theory-lesson-novice/