[gmx-developers] Incorrect simulation?
thibault at gmvhdl.com
Fri Oct 14 20:54:22 CEST 2005
> On Fri, 2005-10-14 at 12:13 -0400, Scott Thibault wrote:
> > I'm trying to simulate an RNA molecule and it seems to
> simulate normal
> > with the sd integrator, but if I just change that one
> parameter to md
> > the results are incorrect. The molecule quickly (<100,000 steps)
> > collapses into a nested ball. Any ideas what is happening here?
> Do you have solvent?
No, its in a vacuum.
More information about the gromacs.org_gmx-developers