Re: [gmx-users] atoms not part of any of the T-coupling groups

Dear Justin Many thanks for this...all is now well. Best Garry On 24 Oct 2008, at 20:42, Justin A. Lemkul wrote: Wouldn't it be better to couple the Protein and Zn2+ together (i.e., index group Protein_Zn2+)? Coupling ions separately often leads to weird behavior/explosions when th

[gmx-users] atoms not part of any of the T-coupling groups

HETATM 2108 ZN ZN2+C 4 -17.911 8.618 18.155 1.00 32.42 ZN What am I doing wrong ? Many thanks Garry ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at