Bit Level Correlations in Some Pseudorandom Number Generators

We present results of extensive bit level tests on some pseudorandom number generators which are commonly used in physics applications. The generators have first been tested with an extended version of the $d$-tuple test. Second, we have developed a novel {\it cluster test} where a physical analogy of the binary numbers with the two dimensional Ising model has been utilized. We demonstrate that the new test is rather powerful in finding periodic correlations on bit level. Results of both test methods are presented for each bit of the output of the generators. Some generators exhibit clear bit level correlations but we find no evidence of discernible correlations for generators, which have recently produced systematic errors in Monte Carlo simulations.Comment: University of Helsinki preprint HU-TFT-93-4

Geometric Random Inner Products: A New Family of Tests for Random Number Generators

We present a new computational scheme, GRIP (Geometric Random Inner Products), for testing the quality of random number generators. The GRIP formalism utilizes geometric probability techniques to calculate the average scalar products of random vectors generated in geometric objects, such as circles and spheres. We show that these average scalar products define a family of geometric constants which can be used to evaluate the quality of random number generators. We explicitly apply the GRIP tests to several random number generators frequently used in Monte Carlo simulations, and demonstrate a new statistical property for good random number generators

Cationic DMPC/DMTAP Lipid Bilayers: Molecular Dynamics Study

Cationic lipid membranes are known to form compact complexes with DNA and to be effective as gene delivery agents both in vitro and in vivo. Here we employ molecular dynamics simulations for a detailed atomistic study of lipid bilayers consisting of a mixture of cationic dimyristoyltrimethylammonium propane (DMTAP) and zwitterionic dimyristoylphosphatidylcholine (DMPC). Our main objective is to examine how the composition of the bilayers affects their structural and electrostatic properties in the liquid-crystalline phase. By varying the mole fraction of DMTAP, we have found that the area per lipid has a pronounced non-monotonic dependence on the DMTAP concentration, with a minimum around the point of equimolar mixture. We show that this behavior has an electrostatic origin and is driven by the interplay between positively charged TAP headgroups and the zwitterionic PC heads. This interplay leads to considerable re-orientation of PC headgroups for an increasing DMTAP concentration, and gives rise to major changes in the electrostatic properties of the lipid bilayer, including a significant increase of total dipole potential across the bilayer and prominent changes in the ordering of water in the vicinity of the membrane. Moreover, chloride counter-ions are bound mostly to PC nitrogens implying stronger screening of PC heads by Cl ions compared to TAP head groups. The implications of these findings are briefly discussed

Maintaining access to print materials - the role of repository libraries

Intervention au 34e congrès LIBER qui s\u27est tenu à Groningue aux Pays-Pas du 6 au 9 juillet 2005

Microscopic mechanism for cold denaturation

We elucidate the mechanism of cold denaturation through constant-pressure simulations for a model of hydrophobic molecules in an explicit solvent. We find that the temperature dependence of the hydrophobic effect is the driving force/induces/facilitates cold denaturation. The physical mechanism underlying this phenomenon is identified as the destabilization of hydrophobic contact in favor of solvent separated configurations, the same mechanism seen in pressure induced denaturation. A phenomenological explanation proposed for the mechanism is suggested as being responsible for cold denaturation in real proteins