backbone N-H trajectory analysis

[Jessica Gonzalez Delgado]

Hi there, 

I'm new to MD simulations. I'm wondering how to do a trajectory analysis for backbone N-H to calculate S^2 values? Any kind of guidance will be greatly appreciated.

[Nicholas M. Glykos]

> I'm new to MD simulations. I'm wondering how to do a trajectory analysis
> for backbone N-H to calculate S^2 values? Any kind of guidance will be
> greatly appreciated.

You probably want CHARMM for this calculation. Carma can not at present
calculate the S^2 order parameters.



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Nicholas M. Glykos, Department of Molecular Biology
and Genetics, Democritus University of Thrace, University Campus,
Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
Ext.77620, Tel (lab) +302551030615, https://utopia.duth.gr/glykos/