[gmx-users] Documentation of gmx velacc spectrum and gmx dos

Hartling, Kathryn kathryn.hartling at cnl.ca
Wed Jul 27 15:44:19 CEST 2016


UNRESTRICTED / ILLIMITÉE

Dear GROMACS users,  

I am new to GROMACS, and I was wondering whether someone could direct me to documentation on exactly what is calculated in the spectrum option (-os) of gmx velacc, as well as the gmx dos function? They don't seem to be documented in the reference manual, and I'm not sure how to deal with the use of arbitrary units. 

Thanks, 

Katy



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