LuisFCervantes

Pinned Repositories

MSLD-Workshop
Materials for five day workshop on using MSLD (including ALF and MSLD_py_prep) for drug discovery and protein engineering
Language:Rich Text Format8 5 15
pyCHARMM-Workshop
pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24.
Language:Jupyter Notebook63 3 410
geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
Language:Python154 11 5166
ff14SB_CHARMM
Topology and parameter files necessary to run the AMBER ff14SB protein force field in CHARMM.
Language:Rich Text Format1 1 00
geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
Language:Python0 0 00
visualizeMSLD
Structural Analysis of MSLD Trajectories
Language:Python0 1 00
msld-py-prep
msld-py-prep scripts for creating a multiple topology model for Multisite Lambda Dynamics in CHARMM
Language:Rich Text Format5 1 20

LuisFCervantes's Repositories

LuisFCervantes/ff14SB_CHARMM
Topology and parameter files necessary to run the AMBER ff14SB protein force field in CHARMM.
Language:Rich Text Format1 1 00
LuisFCervantes/geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
Language:Python0 0 00
LuisFCervantes/visualizeMSLD
Structural Analysis of MSLD Trajectories
Language:Python0 1 00