Houk Group Scripts

• Submission scripts (all located in /apps1/bin)

  qamsol.o2	Submit amsol jobs to the O2's
  qamsol.lw	Submit amsol jobs to the linux workstations
  qautodock.o2	Submit autodock jobs to the O2's
  qautodock.lw	Submit autodock jobs to the linux workstations
  qg98.o2	Submit Gaussian jobs to the O2's
  qg98.lw	Submit Gaussian jobs to the Linux workstations
  qjaguar.o2	Submit Jaguar jobs to the O2's
  qjaguar.lw	Submit Jaguar jobs to the linux workstations
  qsander.o2	Submit AMBER 6.0 jobs to the O2's
  qsander.lw	Submit AMBER 6.0 jobs to the linux workstations
  qsanderClassic.o2	Submit AMBER 5.0 jobs to the O2's
  qsanderClassic.lw	Submit AMBER 5.0 jobs to the lw's
  qspartan.o2	Submit spartan jobs to the O2's (linux spartan isn't shipping yet)

• Utility programs

  mm2mm	This program reads in CHEM3D files as written by MacroModel and Gaussian standard orientations and writes input files for Mike Miller's MM2/Mac program.
  mm98	reads g98 input files and creates input for the MM2/Mac program (the program for drawing pretty molecules)
  98to94	removes the Atomic type column from standard orientations to match the g94 format
  prepare	creates input for AMBER from pdb file