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Questions related from Subhadip Basu
Is there any specific reason behind the choice of default value of 0.6 nm for number of contact analysis in gmx mindist module?
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I want to get information about binding free energy of protein during adsorption process. can I calculate it from adsorption kinetics plot?
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I want to calculate dipole dipole interaction energy between two proteins. I know their dipole moments. Is there any way to calculate the distance (magnitude and the unit vector along the...
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I want to calculate Orientational tetrahedral order parameter of water. The output of gmx_hydorder is confusing. can I use gmx_order instead?
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I want to add CHARMM force field parameters in materials studio discover/forcite tool. Can anyone suggest a way to do that?
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I am trying to fit Sr K edge exafs data of Sr-substituted hydroxyapatite. I want to know about the choice of fitting parameters for the scattering paths. In particular, should I choose atom and...
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