hi all,
i have done scattering function analysis using g_rdf command for
polymer-solvent system. i got the plot of scattering vector q(1/nm) vs
intensity .now i want to convert the scattering vector (q) value in to
distance i.e. 'd' the fundamental polymer books have the relation for light
hi all,
i have done scattering function analysis using g_rdf command for
polymer-solvent system. i got the plot of scattering vector q(1/nm) vs
intensity .now i want to convert the scattering vector (q) value in to
distance i.e. 'd' the fundamental polymer books have the relation for light
hi all,
i am trying to find the coordination number using the rdf between two chains
in the system .my box contains two polymer chains with water molecules.i know
integrating 4*pi*r*r*g(r)*rho between 0 to first minima of rdf will give
coordination number .the first minima value i took from the
hi all,
i am trying to simulate a polymer in 5.2 nm box using the gromacs45a3
forcefield. the system is highly concentrated with 3400 water molecules. i did
energy minimization for 10ps and NVT, NPT simulations for 100 ps during NPT
simulation i got the error message as inner product between old
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