HeydenLabASU-collab

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1. FRESEAN-metadynamics FRESEAN-metadynamics Public

   Combines FRESEAN mode analysis of a protein (based on a CG representation) with enhanced sampling using metadynamics

   C 17 6

2. FRESEAN-tutorial FRESEAN-tutorial Public

   Tutorial for FREquency-SElective ANharmonic mode analysis of molecular dynamics simulation trajectories (with MDAnalysis)

   Jupyter Notebook 4 1

3. trvdos trvdos Public

   Library for calculating velocity autocorrelation functions (VACF) and velocity density of states (VDoS) from molecular dynamics simulations.

   Jupyter Notebook 1 1

4. MDA-unwrap-PBC MDA-unwrap-PBC Public

   Forked from HeydenLabASU/MDA-unwrap-PBC

   Use fast C routines to make molecules whole in PBC trajectories.

   Python

5. cubeWorks cubeWorks Public

   Forked from HeydenLabASU/cubeWorks

   The cubeWorks package contains a group of programs to perform operations on files in the Gaussian cube format.

   C

6. tableAVBMC tableAVBMC Public

   Forked from HeydenLabASU/tableAVBMC

   Aggregation Volume-biased Monte Carlo simulation with tabulated potentials

   C