[gmx-developers] Shift for MARTINI force field?

Michael Shirts mrshirts at gmail.com
Tue Oct 20 23:45:54 CEST 2009

I noticed this in a paper from van Gundsteren's group:

"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?


More information about the gromacs.org_gmx-developers mailing list