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Hello all, Does anyone know how to generate LAMMPS Data files from material studio Coarse grained beads? I generated a CG model using material studio's Mesocite Module. But, I am not able to...
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Hi, I want to perform the coarse grained simulation of cellulose in LAMMPS using martini force field. But I do not know how to set the potential parameter in LAMMPS input file. Please give me some...
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I have generated a model of cellulose bundles using a toolkit named cellulose builder. As an output, it has given (.pdb) and (.psf) files. When I have imported these (.pdb) files into AMBER, it...
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Hi all, I am performing steered molecular dynamics simulation of two polymer chains parallel to each other. Then, one chain has pulled using constant velocity and the trajectory I got is...
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Hi All, I have build the model of cellulose polymer using xleap and hemicellulose polymer using glycam carbohydrate builder. Now, I need to place the two polymer chain parallel two each other....
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