[gmx-users] Mn/Mn2+ Parameters included in Amberff

[Vito Spadavecchio]

Hello

It looks like parameters for Mn/Mn2+ were (somewhat) recently developed for
Amber forcefield (http://pubs.acs.org/doi/abs/10.1021/ct400055v); I'd like
to use these parameters for a simulation I'd like to run on MntR (PDB: 1ON2
<http://www.rcsb.org/pdb/explore.do?structureId=1on2>), but can't seem to
find these files anywhere. Does anyone know where to get them, or how to
extract them from Amber (I got ambertools16 but can't seem to find them
there either). Any help is greatly appreciated!

Best,
-Vito