[gmx-developers] - vsite aromatics does not work with ffG53a6

Michel Cuendet michel.cuendet at isb-sib.ch
Tue Nov 24 17:23:47 CET 2009

Hi all,

This is apparently due to the fact that in ffG53a6 there are additional 
hydrogens in the histidines with respect to ffG45a3. The ffG53a6.ddb 
file has not been modified accordingly.



Michel Cuendet, Ph.D
Molecular Modelling Group
Swiss Institute of Bioinformatics
CH-1015 Lausanne, Switzerland

More information about the gromacs.org_gmx-developers mailing list