[gmx-users] Demo not working?
abelius at gmail.com
Wed Aug 24 13:49:02 CEST 2005
I tried running the demo shipped with gromacs for 1ns. At first the
trajectory looks fine but after about 500 ps the peptide starts bouncing
around the box. At around 900ps it even leaves the box for a short
period of time. The only thing I've changed in the setup was the number
of steps. Does anyone have an idea what is going wrong ?
More information about the gromacs.org_gmx-users