Parallel implementation of a divide and conquer semiempirical algorithm

We have implemented a parallel version of the semiempirical divide and conquer program DivCon previously developed in our laboratory. By utilizing a parallel machine we are able to leverage the linear scaling of the divide and conquer algorithm itself to perform semiempirical calculations on large bio-molecules. The utility of the implementation is demonstrated with a partial geometry optimization of hen egg white lysozyme in the gas phase. Received: 5 December 1997 / Accepted: 13 February 1998 / Published online: 17 June 1998