However, the explicit description of the counter and salt ions, and the full long range Coulomb interaction leads to technical problems with the numerical simulation due to their time consuming complexity. This makes the computational effort scale like NlogN , with N being the number of charges. Routines for the FFT's exist in efficient implementations on VPP as well as on MPP systems, making the code run in principle on both platforms. The relation between sequence and conformation of a heteropolymer chain is one of the most difficult questions in biophysics. A large class of these globular proteins coils together to compact units, which possess a large symmetry.
Every globular protein folds to a specific conformation.
In general, one assumes that the native conformation is encoded into the sequence of the constituent amino acids. Numerical simulations are also in this field widely used. My intention is, to employ novel algorithms, like the multi-canonical algorithms and generalized cluster algorithms, and modify them, if necessary, to study simplified models for heteropolymers or proteins. The critical exponents of phase transitions of spin systems can be determined via high precision MC simulations to an excellent degree of accuracy. Quantum Gravity via Regge Calculus Spin systems coupled to fluctuating geometries are the simplest models for matter coupled to quantum gravity.