Table of Contents
Molecular modeling lab Wiki
AMBER howtos
PyMOL
VSDMIP howto
General howto
Hardware info
Configuration info
Molecular modeling lab Wiki
AMBER howtos
Concatenate trajectories
Remove waters and ions
Run 3-steps minimization
Run Molecular dynamics simulation from minimized structure
Calculate RMSD of elements of the simulation
QM/MM setup for reaction coordinate
Heating ramp with restart
PyMOL
Movies
Renumber residues/Rename chains
Magic commands
VSDMIP howto
General howto
access shared folder of computer lab from upper lab
access data folder from Windows
access data folder from Linux
access ext folder from Windows
access ext folder from Linux
Hardware info
adelita
esthercita
anita
clairecita
Computer lab
Configuration info
Shared storage
Network configuration
Computer lab
VPN