[gmx-users] g_rms Fatal error: Error: Too many iterations in routine JACOBI

[Anthony Cruz]

How I could do that???  a new tpr??

On Friday 20 May 2005 7:53 am, Xavier Periole wrote:
> Anthony Cruz wrote:
> >Hi:
> >I run a MD of a protein in water. when I try to analyse the trajectory
> > with g_rms the program stop by the following error :
> >Fatal error: Error: Too many iterations in routine JACOBI
> >What could be the cause? How I can resolve the problem???
>
> That is certainly due to a mismatch between your reference topology and
> the content of
> the trajectory ... make an topology that fits the trajectory.