[gmx-users] Question about gmx order ...
sgaray at fbcb.unl.edu.ar
Fri Mar 22 20:43:39 CET 2019
I have a micelle trajectory formed by 30 molecules, and I would like to
obtain the order parameters of each acyl chain moieties. I've tried using
the option -radial, but I'm not sure about the result. What will be the
director that it will be used in the calculation? It will be a vector from
the center of mass to.....what? the tool is not asking for any terminal
atom to calculate the end of the director. Probably I'm wrong, but I'm not
sure how to continue.
Any help will be very appreciated!
More information about the gromacs.org_gmx-users