Group Resources

SunRay use

To see what kind of login shell you have, you can issue this command:
sunray1 > env | grep SHELL

/bin/tcsh is good. /bin/ksh is bad. Any other is probably bad.

Either call or go to OIT and get them to change your SunRay default shell to 'tee cee shell'. If it isn't done in a day, let Prof. McCallum know.

Files

• tcsh startup file for SunRays Copy this to your home directory, and rename it to ".tcshrc" (sunray1> cp dot-tcshrc-class ~/.tcshrc).
• emacs startup file for SunRays. Again, put this in your home directory.

Links

• Charmm tutorial
• VMD + NAMD tutorial.
• Analysis of MD data

Old links

• A tutorial using helical gas-phase peptides.
• Another tutorial, adding a molecule to a helical polypeptide.
• Adding a drop of water to solvate a system
• A tutorial on basic NAMD usage
• Hydrogen bonding analysis
• Data analysis
• Input files, etc
• Homology modeling