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sugumaran muthuraj

How to download acc and Charges file ?

What is particularly said with acc and charges files? The use of charges file in simulation and dynamics analysis? How to download it?

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    Reza Toghraee

    acc and charges files along with the pqr file are the three main input files containing information about the structure of the channel. acc file or the access file has info on the material type per patch of the grid. It has Nx*Ny*Nz dimensions and specifies which regions (patches) are bath, channel, lipid, or protein. charges file has the info on the charge density on the grid with (Nx+1)*(Ny+1)*(Nz+1) dimensions. The charges file is generated from the PQR file is used for solving the Poisson equation on the 3D grid. Either in step one or two after generating the structure from PQR and/or wrapping it with membrane (lipid) along with other visualization options you have the choice to download these files, save them and reuse them later on to skip the steps one and two.

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