[gmx-users] visualization error
Ilya Chorny
ichorny at maxwell.compbio.ucsf.edu
Tue Nov 18 20:00:01 CET 2003
I figured out my own problem. I set xtcgroups in my mdp file.
Thanks
Ilya
On Tue, 2003-11-18 at 10:52, Ilya Chorny wrote:
> Hello I am having some problems viewing my trajectories using VMD and
> ngmx and using g_rms. My xtc file seems to not be compatible with the
> trr or tpr file. I get the following error.
>
> Reading frame 0 time 0.000 Fatal error: Molecule in topology
> has atom
> numbers below and above natoms (182).
> You are probably trying to use a trajectory which does not match the
> first 182 a
> toms of the run input file.
> You can make a matching run input file with tpbconv.
>
> Any help would be appreciated.
>
> Thanks,
>
>
> Ilya
>
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