Random Acceleration Molecular Dynamics (RAMD) (!56) · Merge requests · GROMACS / GROMACS

Bernd Doser requested to merge bernddoser/gromacs:ramd into master Apr 06, 2020

The RAMD method was developed in the group of Rebecca Wade (MCM) at HITS (https://www.h-its.org/research/mcm/). It is a method to carry out molecular dynamics simulations with an additional randomly oriented force applied to a molecule in the system. Please find more details about the method at https://projects.h-its.org/mcm/software/ramd/.

The GROMACS-RAMD implementation is using the PULL code. The corresponding pull mdp options will be set during the preprocessor depending on the RAMD mdp options.

Refs #3410 (closed)

Random Acceleration Molecular Dynamics (RAMD)

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