[gmx-developers] committed rigid body code

Szilárd Páll szilard.pall at cbr.su.se
Fri Apr 15 17:45:04 CEST 2011

Hi Adam,

In which repository do you want to see your changes? If you only
committed but not pushed, that  means that you have your commits in
you local repository (git is a distributed version control tool).

Note that with git, especially when implementing new features, one
would _always_ branch off! For more details on how to use git you
should ask google.

Although I'm not sure when/how is this feature supposed to be
included, I doubt that it is supposed to go straight into
4-5-release-patches where (as it's name says) _only_ patches on for
v4.5 code is supposed to go.


On Fri, Apr 15, 2011 at 4:48 PM, Adam Herbst <adh38 at cornell.edu> wrote:
> 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,
> Adam
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