[gmx-users] Projection of the trajectory onto conformational coordinates

James Starlight jmsstarlight at gmail.com
Sun Feb 3 18:03:11 CET 2013


Dear Gromacs Users!

I want to obtain  the projections of my trajectory onto pre-selected
conformational coordinates (something like PCA projections but not on
the abstract collective coordinates but onto more specified
coordinates like motion of the selected helixes which could be
measured by g_dist or other gromacs tools ). Does it possible to
project my trajectory onto such pre-defined specified 2-3
conformational coordinates?


James



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