[gmx-developers] virial

Jason de Joannis jdejoan at emory.edu
Mon Nov 20 23:49:33 CET 2006

I am trying to understand the virial calculations in order to zero the
contributions from certain atoms. As I see it, only pairwise forces
should be included and not things like dihedral forces. Is that correct?
The code looks like it uses the entire force on every particle.

\ Jason de Joannis  \
\ Emory University  \
  \ jdejoan at emory.edu \
   \ 404-402-1332      \

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