pybilt.mda_tools package¶
Submodules¶
pybilt.mda_tools.mda_area_compressibility_modulus module¶
Implementation of area compressibilty modulus The are compressibilty modulus is an elastic property that can be computed from the total area (in the lateral dimension) and its fluctuations. The quantity is given by
K_A = kT<A>[ <(A - <A>)^2>]^-1,
where A is the area per lipid, k is Boltzmann’s constant and T is the temperature (in Kelvin). See references: Coarse Grained Model for Semiquantitative Lipid Simulations Siewert J. Marrink, Alex H. de Vries, and Alan E. Mark J. Phys. Chem. B, 2004, 108 (2), pp 750-760 DOI: 10.1021/jp036508g
Molecular Dynamics Simulations of Cardiolipin Bilayers Martin Dahlberg and Arnold Maliniak J. Phys. Chem. B, 2008, 112 (37), pp 11655-11663 DOI: 10.1021/jp803414g