[gmx-developers] committed rigid body code

Adam Herbst adh38 at cornell.edu
Fri Apr 15 16:48:10 CEST 2011

Hi all,
I modified the code to allow a freeze group to be treated as rigid body in
some dimension by setting "freezedim = R" in the .mdp file.  I checked out
the "4-5-release-patches" branch and recommitted with the modified files.
 How do I see my changes in the repository?

Also, I am not sure I did it quite right.  I calculated the mass of the
group on each thread by summing the first *mdatoms->homenr* elements of
*mdatoms->massT*.  But I see in the pull code that the home atoms are found
in a more complicated manner, using *dd->ga2la*.  Is there a reason I should
use the latter method?  Thanks a lot,

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