| This service constructs an SBMD Boundary potential for use in CHARMM.
Upon completion a new SBMD Boundary Potential file will appear as a link in the window. Simply click on the link to download the file.
CL Brooks, III and M Karplus
Deformable stochastic boundaries in molecular dynamics
J Chem Phys, 1983, 79 (12), 6312-25.
A Brunger, CL Brooks, III and M Karplus
Stochastic boundary conditions for molecular dynamics simulations of ST2 water
Chem Phys Lett, 1984, 105 (5), 495-500.
Please note that papers resulting from the use of the SBMD methodology in CHARMM should acknowledge the primary references: