[gmx-developers] Incorrect simulation?

Scott Thibault 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.


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