Hi,
Have you tried with topology? As per the error is reported, try running the script by adding topology.
Best,
Satyajit
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________________________________
From: Jing Qu via AMBER <amber.ambermd.org>
Sent: Tuesday, October 17, 2023 10:25:09 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] Converting a PDB trajectory to a NetCDF trajectory
Hi all,
Does anyone know how to convert a PDB trajectory to a NetCDF trajectory
format? I have seen the previous mailing list, say I could use:
trajin result.pdb
trajout result.nc netcdf
After I did that, it showed:
Error: No topology selected or no topologies present.
1 errors encountered reading input.
But I remembered it is said that we don't need to provide the topologies in
another answer. And my pdb trajectory could be opened by VMD, so the
topology should be present.
Best,
Jing
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Received on Tue Oct 17 2023 - 10:30:55 PDT
