Software Updates:

>cq

>jaguar &

When you submit jobs, make sure to choose the right job host under the run option of the main graphical interface.

Commands to use MacroModel version 6.5:

>macromodel

To use MacroModel version 7.0:

>macromodel70

To call a new graphical interface:

>maestro

>nice +10 nwchem input_filename > & output_filename &

Example input files are available at /apps/nwchem/examples.

There are various molecular graphics programs for biological molecules in the modeling facility. Manuals for most of these software are available and they are placed in the bookshelf of the modeling facility.

>grasp

>jmol

>vmd

>povray +H500 +W401 -Iinput_file.pov -ooutput_file.tga

You can vary numbers after +H and +W according to your need.