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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?
01 December 2021 586 2 View
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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