Dear Amber community,
I am experiencing an issue while trying to read gzipped netcdf trajectories in cpptraj.
Here is the error that I get:
------------
CPPTRAJ: Trajectory Analysis. V15.00
___ ___ ___ ___
| \/ | \/ | \/ |
_|_/\_|_/\_|_/\_|_
| Date/time: 06/17/15 15:10:01
| Available memory: 113198 MB
INPUT: Reading Input from STDIN
[parm md.prmtop]
Reading 'md.prmtop' as Amber Topology
[trajin md.crd.gz]
Error: Could not determine trajectory md.crd.gz format.
Error: Could not set up input trajectory 'md.crd.gz'.
1 errors encountered reading input.
TIME: Total execution time: 0.4719 seconds.
------------
Notice that if I gunzip the trajectory prior to the analysis, cpptraj reads it properly.
I also tried to compress the trajectory using bzip2. The result is the same as using gzip.
I do not think that it depends on this simulation, since I get the same result with other systems.
Changing the file extension from ".crd.gz" to ".nc.gz" (as suggested in the manual) does not make the trick either.
I finally tried to specify the format in the trajin command as "trajin md.crd.gz netcdf", but I am not sure if this keyword is used at all.
Does anyone have an idea if this is a bug (or unsupported feature) or a problem coming from my files ?
Thanks in advance.
Best regards,
Antoine
________________________________
-- Dr. Antoine MARION
Postdoctoral Research Scientist
Department of Life Sciences
Theoretical Chemical Biology and Protein Modelling Group
Technische Universität München
Emil-Erlenmeyer-Forum 8
D-85354 Freising-Weihenstephan
Germany
Phone: +49 (0)8161 71-2271
?
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Received on Wed Jun 17 2015 - 07:00:03 PDT
