Hi,
On Mon, Nov 13, 2017 at 6:24 AM, Rana Rehan Khalid <rrkhalid.umich.edu> wrote:
>> trajin md1.mdcrd.gz
> Reading 'md1.mdcrd.gz' as Amber Trajectory
> Warning: md1.mdcrd.gz: Number of frames in compressed traj could not be
> determined.
> Warning: Frames will be read until EOF.
This is usually due to 1) a corrupted trajectory file or 2) a mismatch
between the topology file and coordinate file (i.e. the topology has a
different number of atoms than the coordinate file). Try decompressing
the trajectory file first before reading it in; this may give you a
better idea of what's wrong. Also make sure you're using the most up
to date version of cpptraj. In the future, I recommend you save your
coordinates in the NetCDF format to avoid issues like this.
Hope this helps,
-Dan
>> list
> trajin
>
>
> INPUT TRAJECTORIES (1 total):
> 0: 'md1.mdcrd.gz' is an AMBER trajectory, Parm bay.prmtop (Orthogonal
> box), unknown #frames, start=0 offset=1
> Total number of frames is unknown.
>
> Regards
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> AMBER.ambermd.org
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Nov 14 2017 - 10:00:04 PST
