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Hi I m trying to build an initial starting pdb structure of a dna molecule for OPLS/AA based MD simulation. I was trying to use the link "http://web.x3dna.org/custom/buildcomb" for building and I...
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When I calculate the order parameter for lipid molecules I get positive value but many papers reports -SCH value. So is gromacs reporting -SCH values?
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Can anyone help me in calculating the Iso-thermal area compressibility of lipid? I m trying to calculate KA for lipid POPC but it doesn't match with the literature values. Thanks advance Shakira
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