[gmx-users] How does MDrun number atoms?

ttrudeau ttrudeau at uvic.ca
Wed Jan 14 23:13:57 CET 2009


Our minimization ended with a large net force on "atom 0." Since there is
no atom 0 in our .gro, .top, or .ndx files, is mdrun re-numbering the
atoms in our system according to some scheme, or is this an indication
that something very wrong is happening?

-Travis Trudeau, MSc. student at University of Victoria




More information about the gromacs.org_gmx-users mailing list