Pinned Repositories
examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
MD2NMRDp
Tool to calculate Nuclear Magnetic Resonance Dispersion (NMRD) profiles from molecular dynamic simulations.
MDorado
NGLviewToolsDrude
NGLview script collection for MD simulations with Drude particles
pressurereporter
Custom Pressure Reporter for OpenMM
SciencePlots
Matplotlib styles for scientific plotting
TikZamples
Collection of created ilustrations using Tikz.
torsionfit_msca
Module to parametrize Torsion under simulated annealing
pressurereporter
Custom Pressure Reporter for OpenMM
MDorado
EduardMock's Repositories
EduardMock/examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
EduardMock/MD2NMRDp
Tool to calculate Nuclear Magnetic Resonance Dispersion (NMRD) profiles from molecular dynamic simulations.
EduardMock/MDorado
EduardMock/NGLviewToolsDrude
NGLview script collection for MD simulations with Drude particles
EduardMock/pressurereporter
Custom Pressure Reporter for OpenMM
EduardMock/SciencePlots
Matplotlib styles for scientific plotting
EduardMock/TikZamples
Collection of created ilustrations using Tikz.
EduardMock/torsionfit_msca
Module to parametrize Torsion under simulated annealing