[gmx-developers] box center with triclinic coords

Vishal Vaidyanathan vvishal at stanford.edu
Tue Feb 8 00:40:24 CET 2005

   Quick question - is the box center always given by (boxx + boxy +
boxz)/2 where boxx, boxy and boxz are the rows of the box matrix? I just
need to be able to compute the distance of a particle from the box center
during the nonbonded force calculations and was wondering if I'm missing
something about the way PBC (or location of origin) is handled in gromacs.


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