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An interface between semi-empirical methods and the polarized continuum model(PCM) of solvation successfully implemented into GAMESS following the approachby Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energygradients and is parallelized. For large molecules such as ubiquitin areasonable speedup (up to a factor of six) is observed for up to 16 cores. TheSCF convergence is greatly improved by PCM for proteins compared to the gasphase.

Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program