Hi Amber users,
Just discovered that cpptraj can write out Amber restart files (.rst7), something extremely useful.
So I try to do it, trajin 16 frames from a trajectory, and use “trajout output.rst7 nobox” as the final command to get my rst7 files, it successfully generates 16 files.
But when I use VMD to try to open each rst7 and view them, nothing loads. VMD doesn’t give an error message either.
I also realize that the rst7 file (1.2MB) size is different from the one generated by tleap (1.5MB).
Am I doing something wrong, is cpptraj capable of generating rst7 files from an Amber trajectory?
Please help,
Thanks very much.
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Received on Tue Aug 11 2020 - 15:00:02 PDT
