Hi Martin,
Would it be possible to share those files with me?
Thanks,
Thomas
> On Nov 28, 2019, at 6:00 PM, Rosellen, Martin
> wrote:
>
> Dear all,
>
> I have issues loading Amber trajectories. First, I load the the topology
> like this:
>
> load WT.prmtop, WT, 1, top
>
> output:
>
> ObjectMolecule: Attempting to read Amber7 topology file.
> TOPStrToCoordSet: Warning: can't currently image a truncated octahedron...
>
>
> load_traj WT.trj, WT
>
> output:
>
> ObjMolLoadTRJFile-Error: Failed to read expected coordinate value.
>This traj. does not match the loaded parameter/topology file.
>Likely cause: either the atom count or the periodic box settings
>are inconsistent between the two files.
>
>
> My guess is that pymol somehow changes the atom count because it cannot
> image the truncated box which causes the error with the trajectory.
>
> I was thinking about putting the trajectory in a PDB but that would be a
> file of <20GB in the end.
>
> Any comment, positive or negative, would be very much appreciated.
>
> cheers
>
> Martin
>
>
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--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.
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