[gmx-users] about Circular Dichroism

jhon espinosa cyberjhon at hotmail.com
Mon Dec 14 22:32:46 CET 2015

Hi guysI need to compute the Circular Dichroism spectra for a system of 1.1 million atomsspecially at a wavelength of 222 nm. Gromacs has a tool called g_helix which inprinciple computes that based on the Hirst and Brooks paper.I run the program and I got like 20 files, none of them contain the data to make the plot wavelength vs intensity or something like that.Also I tried to use DichroCalc server but it failed because the system is too big,Can you provide any guidance about this topic?Thanks

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