The Kollman research group continues to use the Computer Graphics Laboratory facilities to display and represent the results of molecular dynamics and quantum mechanical calculations on proteins, nucleic acids and their interactions with ligands. We make use of MIDAS and Terry Lybrand's MDMOVIE programs to visualize the structures of the molecules. Such graphical displays are useful in understanding the results of simulations and in assessing when something has gone wrong with the simulations. In addition, we use the program MOIL-VIEW, created and maintained by Carlos Simmerling of our group, for graphical display and are working with Elaine Meng to enable useful display of free energy derivatives and free energy grids, which come out of our software GIBBS and the new code that Randy Radmer is developing.
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