SPASMS: San Francisco Package of Applications for the Simulation of Molecular Systems. SPASMS is a general molecular simulation package, written in machine and operating system independent Fortran-77 code, by David C. Spellmeyer, William C. Swope, Erik-Robert Evensen, and David M. Ferguson. The algorithms included allow molecular dynamics, molecular mechanics, free energy perturbation, and associated calculations to be applied to molecular structures and polymers. The program package has been developed, and continues to develop, as a research tool that implements state of the art methods and techniques to study the physical properties of complex systems.
Keywords for this software
References in zbMATH (referenced in 1 article )
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- Ma, Qun; Izaguirre, Jesús A.; Skeel, Robert D.: Verlet-I/R-RESPA/Impulse is limited by nonlinear instabilities (2003)