Pinned Repositories
HarmonicOscillator
Toy harmonic oscillator in python, demonstrating the effect of timestep and mass on the Hamiltonian
Infrequent-metadynamics
Prediction of transition time (kinetics) associated with aromatic ring flipping using infrequent metadynamics
openmm_metadynamics
toy metadynamics example
PenaUnbindingPaper
sameersaurav
Config files for my GitHub profile.
time-from-biased-simulations-tools
Simple tools for obtaining time from biased molecular dynamics simulations
sameersaurav's Repositories
sameersaurav/HarmonicOscillator
Toy harmonic oscillator in python, demonstrating the effect of timestep and mass on the Hamiltonian
sameersaurav/Infrequent-metadynamics
Prediction of transition time (kinetics) associated with aromatic ring flipping using infrequent metadynamics
sameersaurav/openmm_metadynamics
toy metadynamics example
sameersaurav/PenaUnbindingPaper
sameersaurav/sameersaurav
Config files for my GitHub profile.
sameersaurav/time-from-biased-simulations-tools
Simple tools for obtaining time from biased molecular dynamics simulations