[gmx-users] Center of mass distance

YOLANDA SMALL yas102 at psu.edu
Fri May 5 05:48:28 CEST 2006


I would like to determine the percentage of water occupation in a protein region
by calculating the distance between the center of mass of a group of atoms and
the solvent.  Does anyone know which gromacs tools can provide an estimate of
this information?  By the way my trajectory is in xtc format.


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