[gmx-developers] Tool to estimate the error for SPME

[Rossen Apostolov]

  Hi,

> I haven't talked to Carsten so far, but this would be the next step. As
> soon as it is in the repository he also can easily access it and add a
> feature within g_tune_pme.
>
> So what should I do to merge the branches ? I have an updated master
> branch, added my files, updated the Makefile in src/tools and the
> citation database.
>
> /Flo
1. Make sure that all newly created files are added to the index, e.g.

$ git add src/tools/g_pme_error.c
     (you can use wildcards too)

2. If you haven't committed your changes yet generate a patch by

$ git diff HEAD > g_pme_error.patch

     otherwise

$ git diff HEAD^ HEAD > g_pme_error.patch

Rossen