FMM code
Hello. How are you.
We are doing molecular dynamics of protein using MD with Multiple-Time-Step
Algorithm (RESPA). Now, we
hope to include Fast-Multiple-Method (FMM) in our electrostatic calculations.
Does anyone have a free code for FMM subroutine or know where to get one?
Or, does anyone have interest to collaborate with us to write a particular
subroutine for the software
we are using, MacroModel.
Ruhong (Richard) Zhou
Prof. B. J. Berne's group
Dept. of Chem. & Center for Biomol. Simul.
Columbia University, NY 10027
Tel: 212-854-5650
email: zhou ^at^ nile.chem.columbia.edu