[gmx-developers] Re: Shift for MARTINI force field?

Michael Shirts mrshirts at gmail.com
Wed Oct 21 04:11:06 CEST 2009

Whoops, I copied and pasted incompletely -- it's


On Tue, Oct 20, 2009 at 5:45 PM, Michael Shirts <mrshirts at gmail.com> wrote:
> I noticed this in a paper from van Gundsteren's group:
> http://dx.doi.org/0.1039/b818713d.
> "Since this shift function was erroneously described in the GROMACS
> manual and also erroneously implemented in the GROMACS  program, as
> has been extensively investigated and reported in ref. 25, we did not
> want to use exactly the same (inconsistent)
> shift function, but the shift function as implemented in the  GROMOS05
> biomolecular simulation software."
> Just checking, this has been addressed now, correct?
> Best,
> Michael

More information about the gromacs.org_gmx-developers mailing list