Pinned Repositories
AdrienCerdan.github.io
My personal website
cgenff2pmx
cgenff2pmx.py is a code to parse and merge .itp and .prm from cgenff_charmm2gmx.py to a single pmx-readable .itp
clustering-interfaces-plgics
FEP-auto
HOLE-average
R script to average and plot HOLE profile from Wordom.
lateral-tunnels-glyr
md-scripts
Scripts used for Molecular Dynamics setup or analysis.
NAMD-symmetry-restraints
Scripts (VMD-Tcl) to get the input files to run NAMD simulations with symmetry restraints.
pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
vestibule-glyr
Compute the number of chloride in GlyR vestibule
AdrienCerdan's Repositories
AdrienCerdan/cgenff2pmx
cgenff2pmx.py is a code to parse and merge .itp and .prm from cgenff_charmm2gmx.py to a single pmx-readable .itp
AdrienCerdan/NAMD-symmetry-restraints
Scripts (VMD-Tcl) to get the input files to run NAMD simulations with symmetry restraints.
AdrienCerdan/AdrienCerdan.github.io
My personal website
AdrienCerdan/clustering-interfaces-plgics
AdrienCerdan/FEP-auto
AdrienCerdan/HOLE-average
R script to average and plot HOLE profile from Wordom.
AdrienCerdan/lateral-tunnels-glyr
AdrienCerdan/md-scripts
Scripts used for Molecular Dynamics setup or analysis.
AdrienCerdan/pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
AdrienCerdan/vestibule-glyr
Compute the number of chloride in GlyR vestibule